data_2kum_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 2kum _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 ' 9' ' ' CYS . . . . . . . . . . . . . 24.4 t . . . . . 0 N--CA 1.448 -0.538 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 75.4 m -71.97 117.75 13.97 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.707 -1.133 . . . . 0.0 111.03 -176.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 16.5 p -92.51 -8.53 44.28 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.655 0.741 . . . . 0.0 109.763 171.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -120.42 157.07 30.11 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 114.938 -1.028 . . . . 0.0 110.506 178.581 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 93.5 mt -135.08 139.87 45.07 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 178.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.591 ' CE2' ' HB2' ' A' ' 16' ' ' LYS . 23.0 t80 -70.9 -46.87 61.77 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.558 -177.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 63.0 mtp180 71.23 10.37 6.73 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 171.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.591 ' HB2' ' CE2' ' A' ' 14' ' ' TYR . 2.1 mptm? -102.15 148.23 35.09 Favored Pre-proline 0 C--N 1.326 -0.431 0 C-N-CA 120.889 -0.324 . . . . 0.0 110.629 175.215 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -69.89 110.99 2.71 Favored 'Trans proline' 0 C--O 1.239 0.549 0 C-N-CA 122.247 1.965 . . . . 0.0 110.712 169.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.601 HD13 HD11 ' A' ' 45' ' ' LEU . 71.0 mt -69.05 144.33 54.04 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.082 0.468 . . . . 0.0 111.123 -173.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.636 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 9.4 m -71.59 131.76 43.68 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.357 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.529 ' HA ' HD11 ' A' ' 23' ' ' LEU . 33.7 t70 -58.73 -28.45 65.86 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.311 0.577 . . . . 0.0 110.724 -178.024 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.587 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 90.6 mttt -59.03 -48.2 82.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.199 -0.909 . . . . 0.0 110.641 177.684 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.636 ' HG ' ' O ' ' A' ' 19' ' ' SER . 4.2 pp -75.3 -27.72 59.44 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.365 176.032 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.581 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 70.5 mt -61.77 -36.29 80.62 Favored 'General case' 0 C--O 1.225 -0.205 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.533 -178.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.587 ' HG2' ' O ' ' A' ' 21' ' ' LYS . 13.2 ptm180 -63.88 -0.42 1.07 Allowed 'General case' 0 N--CA 1.47 0.559 0 O-C-N 122.101 -0.375 . . . . 0.0 111.72 179.527 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.416 ' H ' ' C ' ' A' ' 23' ' ' LEU . 55.5 mtmt -114.32 7.29 16.38 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.882 177.301 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 1.006 HG22 ' HG ' ' A' ' 47' ' ' LEU . 43.1 t -92.26 89.47 2.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 121.242 0.544 . . . . 0.0 109.689 178.192 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 26.4 pt -75.68 -15.92 15.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.591 -0.732 . . . . 0.0 112.72 -171.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.584 ' HB2' ' HB3' ' A' ' 46' ' ' HIS . 68.5 mm-40 -142.68 151.36 41.31 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.205 0.526 . . . . 0.0 112.007 -175.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.608 HG23 HE22 ' A' ' 68' ' ' GLN . 54.0 t -120.16 115.19 46.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 170.454 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.602 ' HG3' HG22 ' A' ' 44' ' ' VAL . 6.5 pt-20 -110.34 120.75 43.44 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.747 0.784 . . . . 0.0 111.143 -175.571 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 44.5 tp -84.48 120.56 26.46 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 114.895 -1.048 . . . . 0.0 110.808 -177.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.567 ' NE2' ' HG ' ' A' ' 40' ' ' LEU . 45.2 tt0 -80.23 104.29 10.68 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.342 173.63 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -69.88 141.37 53.19 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.516 -179.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.616 ' HB1' ' HB2' ' A' ' 41' ' ' GLN . . . -75.89 4.3 8.42 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.786 -176.216 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -159.29 -39.81 0.06 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.128 178.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -69.82 -7.1 58.26 Favored Glycine 0 CA--C 1.521 0.408 0 CA-C-N 115.664 -0.698 . . . . 0.0 113.89 -176.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -149.19 -49.53 0.15 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 117.551 0.676 . . . . 0.0 110.863 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 44.8 t -127.39 179.47 5.46 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 178.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 28.3 p-80 -93.99 9.64 36.71 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.757 0.313 . . . . 0.0 111.627 -178.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.567 ' HG ' ' NE2' ' A' ' 32' ' ' GLN . 0.6 OUTLIER -149.82 163.19 38.68 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 174.111 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.616 ' HB2' ' HB1' ' A' ' 34' ' ' ALA . 50.5 tt0 -99.91 139.16 35.98 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.895 0.378 . . . . 0.0 111.126 -176.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.586 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -153.19 150.68 29.28 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.638 177.044 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.548 ' O ' ' HB ' ' A' ' 54' ' ' ILE . 15.3 m-85 -106.62 99.51 9.08 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 172.553 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.602 HG22 ' HG3' ' A' ' 30' ' ' GLU . 0.8 OUTLIER -107.55 141.81 21.83 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 C-N-CA 120.048 -0.661 . . . . 0.0 109.917 -175.088 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.601 HD11 HD13 ' A' ' 18' ' ' LEU . 58.0 mt -100.05 132.24 45.52 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.372 -172.413 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.584 ' HB3' ' HB2' ' A' ' 28' ' ' GLN . 22.9 t60 -101.95 101.4 11.81 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.763 -175.2 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 1.006 ' HG ' HG22 ' A' ' 26' ' ' VAL . 5.2 mp -81.94 168.38 17.95 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 173.713 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -76.41 1.38 16.52 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-O 120.804 0.335 . . . . 0.0 111.529 -175.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.24 -2.36 2.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.003 -178.421 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.403 ' HG3' HD11 ' A' ' 47' ' ' LEU . 8.8 ptp180 -175.73 170.95 2.79 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 120.959 -0.296 . . . . 0.0 111.618 -169.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 59.0 m -133.56 138.75 46.2 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.777 172.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.402 ' O ' ' HB ' ' A' ' 44' ' ' VAL . 61.5 mt -119.45 144.0 29.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 -178.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.548 ' HA ' ' HB ' ' A' ' 44' ' ' VAL . 33.8 m -100.64 121.8 42.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.417 0.627 . . . . 0.0 110.552 -173.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.548 ' HB ' ' O ' ' A' ' 43' ' ' PHE . 6.2 mt -118.45 141.59 37.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.22 -176.239 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.482 ' CE1' ' HB2' ' A' ' 57' ' ' GLN . 36.1 t-80 -61.59 129.69 91.49 Favored Pre-proline 0 C--N 1.331 -0.196 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.486 174.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.586 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 5.4 Cg_endo -49.49 -43.17 39.85 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.797 2.332 . . . . 0.0 112.393 -177.641 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.482 ' HB2' ' CE1' ' A' ' 55' ' ' HIS . 3.1 mp0 -87.32 82.14 7.68 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 173.046 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.413 ' HA ' ' HD2' ' A' ' 59' ' ' PRO . 64.8 t30 -144.38 126.01 8.04 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 116.638 -0.256 . . . . 0.0 110.603 177.6 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.43 ' O ' ' HG3' ' A' ' 63' ' ' GLN . 9.3 Cg_endo -53.75 -30.81 58.36 Favored 'Trans proline' 0 CA--C 1.531 0.355 0 C-N-CA 123.266 2.644 . . . . 0.0 112.783 178.697 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.3 t -63.3 -33.47 75.59 Favored 'General case' 0 N--CA 1.462 0.129 0 C-N-CA 121.165 -0.214 . . . . 0.0 110.887 -178.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.45 -43.67 31.62 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 67.9 m -60.39 -49.28 78.21 Favored 'General case' 0 C--O 1.241 0.634 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.538 177.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.43 ' HG3' ' O ' ' A' ' 59' ' ' PRO . 47.3 mt-30 -61.42 -31.51 71.45 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-O 121.004 0.43 . . . . 0.0 109.951 177.377 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.612 ' CH2' HD22 ' A' ' 72' ' ' LEU . 15.3 t-105 -67.17 -30.28 70.21 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.771 -179.664 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -61.02 -41.92 97.48 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.979 0.418 . . . . 0.0 110.157 174.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -66.51 -49.93 64.9 Favored 'General case' 0 C--O 1.239 0.552 0 CA-C-O 121.91 0.862 . . . . 0.0 109.99 176.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 13.6 m170 -66.12 -44.66 83.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.973 -1.012 . . . . 0.0 111.505 -174.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.608 HE22 HG23 ' A' ' 29' ' ' VAL . 2.7 pt20 -64.25 -28.95 70.08 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.996 0.427 . . . . 0.0 110.287 -177.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -68.17 -23.0 64.81 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.688 179.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 17.8 ptp180 -111.82 -3.47 14.92 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -178.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.582 ' HZ1' ' HB3' ' A' ' 24' ' ' ARG . 23.5 mtpp -121.41 -153.27 0.54 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.667 -0.242 . . . . 0.0 110.542 -177.548 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.612 HD22 ' CH2' ' A' ' 64' ' ' TRP . 2.5 mm? . . . . . 0 N--CA 1.467 0.381 0 N-CA-C 112.991 0.737 . . . . 0.0 112.991 -177.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 38.0 t . . . . . 0 N--CA 1.45 -0.425 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 71.4 m -106.21 130.61 54.05 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.179 0.514 . . . . 0.0 111.528 -174.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.9 p -97.9 4.76 49.52 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.496 176.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -144.99 158.64 43.75 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.325 179.119 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.416 HD12 ' HB2' ' A' ' 55' ' ' HIS . 82.3 mt -137.48 143.96 42.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.048 0.451 . . . . 0.0 110.934 -177.016 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -81.82 -36.76 28.0 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.3 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 72.48 -59.36 0.56 Allowed 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.798 0.839 . . . . 0.0 112.294 177.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.403 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 26.9 mtpp -62.24 149.77 86.26 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 115.769 -0.65 . . . . 0.0 112.006 -171.52 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.519 ' HA ' ' HG ' ' A' ' 60' ' ' SER . 24.3 Cg_exo -63.85 122.69 10.83 Favored 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 122.913 2.408 . . . . 0.0 112.063 176.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.756 HD11 HD13 ' A' ' 45' ' ' LEU . 80.9 mt -76.05 172.63 12.44 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.343 179.356 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.471 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 31.7 t -93.63 142.97 26.75 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.735 0.302 . . . . 0.0 110.491 179.307 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -59.07 -28.87 66.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.194 178.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.437 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 58.5 mttp -57.17 -44.99 84.05 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.69 177.646 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.4 ' HG ' ' HB3' ' A' ' 19' ' ' SER . 0.6 OUTLIER -73.95 -35.07 64.51 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-O 121.512 0.672 . . . . 0.0 109.335 -179.737 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 19' ' ' SER . 79.0 mt -64.98 -36.36 84.14 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.856 -1.065 . . . . 0.0 111.77 -173.758 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.678 ' HB3' ' HD3' ' A' ' 71' ' ' LYS . 15.6 ptt180 -70.75 4.04 2.79 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 121.057 0.456 . . . . 0.0 111.274 179.248 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.404 ' H ' ' C ' ' A' ' 23' ' ' LEU . 33.4 mtmt -114.89 6.45 15.41 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.128 178.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.564 ' O ' HD12 ' A' ' 72' ' ' LEU . 13.6 t -74.77 141.8 15.5 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.703 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.356 177.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.618 HD11 ' HA ' ' A' ' 48' ' ' ALA . 13.6 pt -107.67 -23.51 4.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.327 -179.702 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -155.17 154.32 32.12 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.293 0.568 . . . . 0.0 112.106 -177.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.468 HG12 HE22 ' A' ' 68' ' ' GLN . 0.0 OUTLIER -120.21 116.81 51.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.411 170.847 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -122.15 154.49 37.36 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.225 0.536 . . . . 0.0 111.36 -177.43 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 66.3 tp -119.94 124.37 45.82 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.086 -178.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.55 ' O ' ' HA ' ' A' ' 41' ' ' GLN . 48.2 tt0 -81.84 115.62 21.13 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 168.782 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -83.09 151.86 25.58 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.742 0.306 . . . . 0.0 110.821 -175.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.6 -2.17 18.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.525 -175.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -147.96 -30.41 0.3 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.836 176.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -70.99 94.38 0.53 Allowed Glycine 0 N--CA 1.449 -0.456 0 CA-C-N 115.832 -0.622 . . . . 0.0 112.744 177.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.7 t70 99.03 -40.68 0.01 OUTLIER 'General case' 0 CA--C 1.507 -0.703 0 C-N-CA 125.234 1.414 . . . . 0.0 108.68 170.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 99.2 m -143.48 171.36 14.26 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 114.74 -1.118 . . . . 0.0 109.955 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 27.3 t60 -106.67 64.86 0.66 Allowed 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 121.064 -0.254 . . . . 0.0 111.523 -175.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.527 ' O ' ' HG2' ' A' ' 32' ' ' GLN . 1.1 pp 178.49 149.7 0.23 Allowed 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 171.188 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.55 ' HA ' ' O ' ' A' ' 32' ' ' GLN . 9.3 tt0 -99.3 136.91 38.56 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.742 0.306 . . . . 0.0 110.984 -176.749 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -156.13 136.4 13.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.883 178.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -92.77 122.07 34.8 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 174.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 41.8 t -110.55 122.27 64.78 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-O 121.116 0.484 . . . . 0.0 111.201 -173.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.756 HD13 HD11 ' A' ' 18' ' ' LEU . 50.8 mt -94.61 115.97 28.2 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.731 178.382 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -102.86 102.89 13.02 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.367 -170.084 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.5 ' HA ' ' HA ' ' A' ' 26' ' ' VAL . 6.2 mp -85.71 159.17 19.86 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 172.4 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.618 ' HA ' HD11 ' A' ' 27' ' ' ILE . . . -64.18 -20.98 66.38 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.897 0.379 . . . . 0.0 111.617 -177.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -89.16 -47.78 7.85 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.228 0.537 . . . . 0.0 109.803 -178.779 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.42 ' O ' ' HB2' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -165.27 167.88 17.51 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.333 -0.849 . . . . 0.0 109.855 -179.075 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.6 p -108.59 153.45 23.37 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.037 0.446 . . . . 0.0 111.339 -176.235 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 73.0 mt -120.8 136.93 56.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.266 177.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 46.1 m -102.28 121.51 42.42 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.934 0.397 . . . . 0.0 110.073 -175.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.467 HG23 HD22 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -114.17 145.71 19.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-O 121.148 0.499 . . . . 0.0 110.779 -176.208 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.416 ' HB2' HD12 ' A' ' 13' ' ' LEU . 50.6 t-80 -71.21 133.92 85.33 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.144 174.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 55' ' ' HIS . 24.0 Cg_exo -64.7 179.18 1.42 Allowed 'Trans proline' 0 CA--C 1.528 0.213 0 C-N-CA 122.562 2.175 . . . . 0.0 111.867 177.547 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 23.8 mp0 56.12 28.74 13.46 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 121.203 0.525 . . . . 0.0 110.357 -176.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.415 ' HB2' ' O ' ' A' ' 55' ' ' HIS . 64.1 t30 -113.36 127.75 26.46 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.053 -171.761 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -52.37 -33.5 56.53 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 123.273 2.649 . . . . 0.0 113.361 178.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.519 ' HG ' ' HA ' ' A' ' 17' ' ' PRO . 1.4 m -55.76 -57.29 12.66 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-O 120.941 0.4 . . . . 0.0 111.0 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.467 HD22 HG23 ' A' ' 54' ' ' ILE . 0.1 OUTLIER -62.2 -36.79 82.99 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.972 178.009 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.516 ' HA ' ' CD2' ' A' ' 65' ' ' PHE . 19.6 m -61.36 -50.81 71.42 Favored 'General case' 0 C--O 1.245 0.863 0 CA-C-O 121.594 0.712 . . . . 0.0 110.875 -178.612 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -60.67 -36.56 79.04 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.364 -0.835 . . . . 0.0 109.874 176.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.487 ' HA ' ' HB2' ' A' ' 67' ' ' HIS . 10.5 t-105 -67.65 -30.28 69.79 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.053 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.534 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 15.3 m-85 -53.63 -52.09 61.01 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.043 0.449 . . . . 0.0 110.406 175.046 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.427 ' O ' ' HB3' ' A' ' 69' ' ' GLU . 8.4 mm-40 -79.15 -32.06 44.24 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.415 -0.514 . . . . 0.0 111.943 -179.369 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.487 ' HB2' ' HA ' ' A' ' 64' ' ' TRP . 7.6 m170 -67.39 -35.43 79.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.969 178.367 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.534 ' HG2' ' O ' ' A' ' 65' ' ' PHE . 1.8 pt20 -74.72 -27.09 60.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.216 0.531 . . . . 0.0 110.124 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.427 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 15.0 tp10 -59.35 -33.34 71.03 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.117 175.759 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -113.25 30.95 6.8 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.366 -177.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.678 ' HD3' ' HB3' ' A' ' 24' ' ' ARG . 12.6 ttmm -149.89 -150.13 0.33 Allowed 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 110.217 -0.29 . . . . 0.0 110.217 -176.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.564 HD12 ' O ' ' A' ' 26' ' ' VAL . 2.2 mm? . . . . . 0 N--CA 1.466 0.375 0 N-CA-C 112.878 0.696 . . . . 0.0 112.878 -176.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 3.5 t . . . . . 0 N--CA 1.447 -0.59 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.471 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 71.0 m -99.3 118.51 36.13 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.567 -171.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 18.1 p -84.99 2.97 40.67 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.172 173.29 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.471 ' O ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -151.55 167.94 26.48 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.983 -1.008 . . . . 0.0 109.807 -179.548 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 96.7 mt -135.48 152.16 51.09 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.622 0.249 . . . . 0.0 110.892 -177.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.412 ' CE2' ' HB2' ' A' ' 16' ' ' LYS . 72.1 t80 -89.26 -41.72 12.02 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 175.73 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 75.3 mtm180 74.85 -51.64 0.67 Allowed 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 115.226 -0.897 . . . . 0.0 112.858 173.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.412 ' HB2' ' CE2' ' A' ' 14' ' ' TYR . 47.9 mtmt -63.31 148.94 92.51 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-O 120.482 0.182 . . . . 0.0 111.182 -177.774 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.38 147.8 83.36 Favored 'Trans proline' 0 C--O 1.236 0.423 0 C-N-CA 122.904 2.403 . . . . 0.0 112.359 178.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.68 HD13 HD11 ' A' ' 45' ' ' LEU . 69.0 mt -95.62 161.26 14.12 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.11 -175.546 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.693 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 42.4 m -86.73 130.76 34.35 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.13 -178.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.412 ' HA ' HD11 ' A' ' 23' ' ' LEU . 14.7 t70 -56.8 -31.44 64.69 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.39 -176.811 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.0 mmtm -63.46 -40.94 98.47 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.908 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.693 ' HG ' ' O ' ' A' ' 19' ' ' SER . 4.5 pp -75.54 -29.94 59.57 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.405 -0.518 . . . . 0.0 109.943 174.689 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.702 ' HB3' ' CH2' ' A' ' 64' ' ' TRP . 73.3 mt -65.86 -42.83 89.91 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.921 -176.257 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 48.8 ptt85 -59.63 -17.51 34.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.803 0.335 . . . . 0.0 111.098 177.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.403 ' HE2' ' HA ' ' A' ' 22' ' ' LEU . 50.0 mtmt -97.63 2.3 49.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.976 0.417 . . . . 0.0 110.958 -179.122 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.855 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 17.8 t -71.23 145.06 12.84 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.773 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 173.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.413 HD11 ' HA ' ' A' ' 48' ' ' ALA . 37.1 pt -112.62 -28.81 2.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 C-N-CA 120.896 -0.321 . . . . 0.0 111.453 -178.417 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 74.8 mm-40 -149.4 153.03 36.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.124 0.487 . . . . 0.0 111.616 -177.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.7 p -106.68 132.69 53.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.262 -0.881 . . . . 0.0 108.744 170.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.428 ' CD ' ' HB2' ' A' ' 46' ' ' HIS . 2.9 pt-20 -128.72 162.43 27.41 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.115 0.483 . . . . 0.0 111.289 -175.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 47.3 tp -134.05 117.78 17.03 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.288 -173.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.684 ' O ' ' HA ' ' A' ' 41' ' ' GLN . 8.4 tt0 -74.86 111.1 9.73 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 168.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -88.19 145.73 25.75 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 121.102 0.477 . . . . 0.0 111.599 -176.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -77.37 0.42 22.48 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.877 -174.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -156.44 -27.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 111.79 0.292 . . . . 0.0 111.79 179.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -83.1 12.25 50.84 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 120.699 -0.762 . . . . 0.0 113.633 -174.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -177.71 -56.62 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.232 0.539 . . . . 0.0 109.946 179.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.417 ' SG ' ' HG3' ' A' ' 32' ' ' GLN . 14.4 m -111.59 -166.88 1.12 Allowed 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 176.013 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -114.99 0.15 13.58 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.019 -0.673 . . . . 0.0 111.637 178.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -127.66 162.01 27.53 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 175.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.684 ' HA ' ' O ' ' A' ' 32' ' ' GLN . 35.9 tt0 -116.13 134.47 54.9 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.01 0.433 . . . . 0.0 111.811 -173.005 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.584 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -154.61 133.27 12.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.815 178.154 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -85.18 113.56 21.64 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.378 0.608 . . . . 0.0 109.711 174.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.497 HG11 ' O ' ' A' ' 52' ' ' ILE . 80.1 t -110.11 137.84 40.58 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.934 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.531 -172.242 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.68 HD11 HD13 ' A' ' 18' ' ' LEU . 82.5 mt -107.57 125.2 51.01 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.2 -177.262 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.428 ' HB2' ' CD ' ' A' ' 30' ' ' GLU . 11.3 t-160 -112.84 109.45 18.92 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.645 -0.707 . . . . 0.0 112.174 -168.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.855 ' HA ' ' HA ' ' A' ' 26' ' ' VAL . 5.5 mp -78.87 167.76 20.69 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 171.595 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.413 ' HA ' HD11 ' A' ' 27' ' ' ILE . . . -58.98 -17.6 26.4 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 112.041 0.386 . . . . 0.0 112.041 -177.495 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -103.82 -51.28 3.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.807 0.337 . . . . 0.0 110.922 -178.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.31 169.62 19.04 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.837 0.31 . . . . 0.0 111.837 -170.6 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.416 ' HB3' ' CG1' ' A' ' 44' ' ' VAL . 53.4 m -112.35 156.98 21.57 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.251 -179.236 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.497 ' O ' HG11 ' A' ' 44' ' ' VAL . 54.4 mt -123.41 143.81 35.19 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 177.149 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 59.2 m -101.73 121.9 42.92 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 121.348 0.594 . . . . 0.0 112.303 -171.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 15.0 mt -131.1 143.13 41.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.261 -0.881 . . . . 0.0 109.877 178.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 6.0 p80 -86.16 145.62 40.87 Favored Pre-proline 0 C--N 1.33 -0.255 0 C-N-CA 120.208 -0.597 . . . . 0.0 109.409 177.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.584 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 81.8 Cg_exo -43.03 -53.47 4.03 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 124.035 3.157 . . . . 0.0 114.863 -169.676 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -80.91 71.66 7.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.119 0.485 . . . . 0.0 110.918 -177.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -133.43 131.23 21.37 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.402 -178.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -55.68 -35.03 92.37 Favored 'Trans proline' 0 CA--C 1.528 0.194 0 C-N-CA 123.198 2.599 . . . . 0.0 113.13 -178.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 10.8 t -73.29 -24.86 60.47 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.749 -0.205 . . . . 0.0 111.055 -175.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -79.84 -45.77 18.1 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 -177.312 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.17 -50.87 68.65 Favored 'General case' 0 C--O 1.247 0.965 0 CA-C-O 121.579 0.704 . . . . 0.0 111.175 -178.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.4 pp0? -60.34 -28.23 67.99 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.928 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.702 ' CH2' ' HB3' ' A' ' 23' ' ' LEU . 26.9 t-105 -73.18 -31.11 64.02 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-N 115.476 -0.783 . . . . 0.0 111.058 -179.321 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -56.35 -44.84 80.48 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.487 176.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -70.68 -40.21 73.06 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-O 121.425 0.631 . . . . 0.0 110.966 178.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 62.9 m170 -77.03 -34.96 57.25 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.903 -173.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.646 ' HB2' HD21 ' A' ' 72' ' ' LEU . 10.8 pt20 -69.05 -28.18 66.31 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 177.378 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -61.24 -36.55 80.28 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.157 176.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -97.25 1.37 49.57 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.465 179.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.486 ' HD2' ' CH2' ' A' ' 64' ' ' TRP . 60.2 mttm -122.24 -149.72 0.43 Allowed 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 109.252 -0.648 . . . . 0.0 109.252 174.344 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.646 HD21 ' HB2' ' A' ' 68' ' ' GLN . 10.8 mp . . . . . 0 N--CA 1.473 0.681 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 175.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.447 -0.59 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.434 ' SG ' ' NE2' ' A' ' 12' ' ' GLN . 8.7 t -112.13 148.89 33.02 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 114.917 -1.038 . . . . 0.0 111.178 -169.584 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 21.7 p -121.3 0.98 10.18 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.363 177.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.607 ' O ' ' HB2' ' A' ' 53' ' ' CYS . 0.0 OUTLIER -107.84 97.93 7.58 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 179.011 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.429 HD12 ' HB2' ' A' ' 55' ' ' HIS . 86.9 mt -94.8 112.55 24.27 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.054 0.454 . . . . 0.0 110.457 -177.137 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.549 ' CE2' ' HE2' ' A' ' 16' ' ' LYS . 31.2 t80 -63.59 -57.2 10.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.296 -0.866 . . . . 0.0 111.876 -172.354 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 71.0 mtm180 61.83 71.19 0.55 Allowed 'General case' 0 N--CA 1.468 0.451 0 O-C-N 123.458 0.474 . . . . 0.0 112.105 178.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.549 ' HE2' ' CE2' ' A' ' 14' ' ' TYR . 33.3 ttpt -176.02 143.54 0.66 Allowed Pre-proline 0 C--N 1.327 -0.386 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 177.155 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.904 ' HA ' ' HB2' ' A' ' 60' ' ' SER . 49.5 Cg_exo -57.01 122.46 11.86 Favored 'Trans proline' 0 C--O 1.233 0.268 0 C-N-CA 122.34 2.027 . . . . 0.0 112.069 174.118 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 80.9 mt -83.96 157.04 22.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.579 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.636 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 13.6 m -74.41 131.56 41.19 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.315 178.745 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.481 ' HA ' HD12 ' A' ' 23' ' ' LEU . 18.8 t70 -59.28 -29.24 67.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.134 0.492 . . . . 0.0 110.494 -178.35 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.459 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 13.1 mmmm -57.03 -47.64 80.42 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.379 177.585 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.636 ' HG ' ' O ' ' A' ' 19' ' ' SER . 4.3 pp -75.16 -31.21 60.95 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.162 177.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.562 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 71.9 mt -60.85 -40.77 94.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.706 -177.375 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.471 ' HB3' ' HD3' ' A' ' 71' ' ' LYS . 28.2 ptt180 -64.58 2.31 0.67 Allowed 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -178.598 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.498 ' HB2' HD23 ' A' ' 47' ' ' LEU . 48.7 mtmt -113.63 -0.75 14.22 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.044 178.593 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.584 ' HA ' ' HG ' ' A' ' 47' ' ' LEU . 41.4 t -72.41 105.74 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 179.781 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 35.7 pt -74.11 -32.09 31.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.989 -168.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 23.6 mm-40 -150.46 155.33 39.32 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.763 0.316 . . . . 0.0 110.563 178.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 87.1 t -115.42 134.26 59.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.598 176.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.449 ' CD ' ' HD1' ' A' ' 46' ' ' HIS . 4.7 pt-20 -130.52 141.3 50.49 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.274 0.559 . . . . 0.0 111.436 -175.446 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 44.0 tp -104.48 113.12 26.49 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.886 178.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.416 ' O ' ' HA ' ' A' ' 41' ' ' GLN . 52.9 tt0 -79.9 107.83 12.99 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.231 174.491 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -79.29 141.13 37.3 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.079 -176.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.641 ' HB3' ' HB2' ' A' ' 41' ' ' GLN . . . -83.2 15.62 2.81 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.583 -0.735 . . . . 0.0 112.194 -174.778 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -157.67 -49.85 0.07 Allowed 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.788 -0.365 . . . . 0.0 111.555 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -62.23 -32.76 83.76 Favored Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.929 -0.653 . . . . 0.0 112.961 -178.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -117.29 -65.7 1.16 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.852 0.358 . . . . 0.0 110.244 -178.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 35.2 m -113.54 -170.05 1.62 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.322 -176.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 7.1 p80 -96.68 -6.16 37.15 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 121.006 -0.278 . . . . 0.0 111.288 178.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.0 pp -135.32 153.86 51.72 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 -178.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.641 ' HB2' ' HB3' ' A' ' 34' ' ' ALA . 59.5 tt0 -98.8 138.07 36.48 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 123.433 0.458 . . . . 0.0 110.588 -176.45 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.488 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -151.96 143.59 23.56 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.099 0.476 . . . . 0.0 111.02 178.678 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.54 ' O ' ' HB ' ' A' ' 54' ' ' ILE . 62.3 m-85 -102.25 100.63 10.84 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 172.197 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.403 ' O ' ' HG2' ' A' ' 30' ' ' GLU . 24.1 t -101.25 125.38 55.23 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.996 0 CA-C-O 121.265 0.555 . . . . 0.0 110.496 -172.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 73.1 mt -95.25 115.24 27.16 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.421 -179.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.449 ' HD1' ' CD ' ' A' ' 30' ' ' GLU . 0.3 OUTLIER -101.95 112.13 24.65 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.177 -169.159 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.584 ' HG ' ' HA ' ' A' ' 26' ' ' VAL . 5.6 mp -100.56 166.36 10.95 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 174.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.38 -11.88 60.37 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.061 0.458 . . . . 0.0 110.926 -176.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.41 -23.75 10.14 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.808 -178.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -163.07 171.25 16.71 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.746 -166.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 17.0 m -141.67 128.18 20.13 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.925 0.393 . . . . 0.0 110.456 178.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 4.3 mp -106.35 131.81 55.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 177.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.607 ' HB2' ' O ' ' A' ' 12' ' ' GLN . 22.4 m -102.0 120.85 41.08 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.275 0.56 . . . . 0.0 109.908 -177.736 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.54 ' HB ' ' O ' ' A' ' 43' ' ' PHE . 1.8 mt -106.69 128.85 61.04 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.968 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.108 -177.321 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.429 ' HB2' HD12 ' A' ' 13' ' ' LEU . 25.0 t-80 -68.38 130.47 92.21 Favored Pre-proline 0 C--N 1.323 -0.583 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 170.284 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.488 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 72.4 Cg_exo -49.56 148.64 11.17 Favored 'Trans proline' 0 N--CA 1.467 -0.082 0 C-N-CA 122.285 1.99 . . . . 0.0 111.82 177.227 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.482 ' HB2' ' O ' ' A' ' 56' ' ' PRO . 47.5 mt-30 78.46 20.3 0.88 Allowed 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.168 0.587 . . . . 0.0 110.369 -175.751 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -94.58 122.53 60.67 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.364 174.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_exo -50.48 -38.72 54.49 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 123.342 2.695 . . . . 0.0 113.096 -175.312 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.904 ' HB2' ' HA ' ' A' ' 17' ' ' PRO . 12.3 t -62.93 -23.88 67.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.634 -176.008 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.529 ' HB2' HG22 ' A' ' 54' ' ' ILE . 0.6 OUTLIER -80.04 -46.73 16.06 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 -179.056 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.0 t -59.24 -49.78 76.53 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.462 177.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -59.66 -36.37 76.29 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.701 177.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.562 ' CZ3' ' HB3' ' A' ' 23' ' ' LEU . 15.7 t-105 -66.78 -40.36 88.14 Favored 'General case' 0 C--O 1.223 -0.332 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.336 -178.462 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.736 ' HA ' HE21 ' A' ' 68' ' ' GLN . 2.2 m-85 -58.92 -35.23 72.72 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 120.608 -0.437 . . . . 0.0 111.077 179.638 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -79.53 -41.61 26.93 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.088 0.471 . . . . 0.0 110.576 176.16 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.528 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 8.5 m170 -61.56 -46.98 87.6 Favored 'General case' 0 C--O 1.223 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.26 179.718 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.736 HE21 ' HA ' ' A' ' 65' ' ' PHE . 29.1 pt20 -67.02 -26.24 66.68 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-O 120.585 0.231 . . . . 0.0 110.591 -178.776 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -60.1 -33.49 72.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.45 0.643 . . . . 0.0 109.682 176.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 19.5 ptt-85 -114.55 32.25 6.09 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.925 177.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.528 ' HB2' ' O ' ' A' ' 67' ' ' HIS . 9.1 ttmm -146.12 -166.65 2.52 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 -178.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.1 mp . . . . . 0 N--CA 1.47 0.562 0 N-CA-C 112.651 0.612 . . . . 0.0 112.651 -175.973 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.557 ' HA ' ' OE1' ' A' ' 32' ' ' GLN . 42.6 t . . . . . 0 N--CA 1.451 -0.382 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.451 ' SG ' ' NE2' ' A' ' 12' ' ' GLN . 8.1 t -110.83 130.84 55.46 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.108 -172.723 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 33.7 p -91.8 -59.33 2.15 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.703 -175.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.451 ' NE2' ' SG ' ' A' ' 10' ' ' CYS . 0.2 OUTLIER -80.24 161.6 25.07 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.045 0.45 . . . . 0.0 111.398 178.66 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 96.7 mt -132.45 138.91 47.79 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.266 -178.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.503 ' CE2' ' HB2' ' A' ' 16' ' ' LYS . 30.9 t80 -75.93 -49.89 16.51 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.2 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 50.3 mtt180 72.1 -24.93 0.18 Allowed 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 172.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.503 ' HB2' ' CE2' ' A' ' 14' ' ' TYR . 34.2 mmtp -71.32 149.9 94.11 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-O 120.897 0.379 . . . . 0.0 111.461 -178.383 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.514 ' HA ' ' OG ' ' A' ' 60' ' ' SER . 20.7 Cg_exo -66.98 122.66 10.02 Favored 'Trans proline' 0 C--O 1.234 0.292 0 C-N-CA 123.162 2.575 . . . . 0.0 112.274 178.527 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.898 ' HB3' HD11 ' A' ' 22' ' ' LEU . 85.6 mt -86.5 136.77 32.96 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.047 178.009 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.678 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 23.3 m -72.13 146.6 47.36 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.05 -178.729 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.507 ' HA ' HD11 ' A' ' 23' ' ' LEU . 34.9 t70 -59.35 -29.06 67.4 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 121.297 0.57 . . . . 0.0 111.113 -177.76 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.556 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 60.4 mttm -57.31 -45.87 83.75 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.584 179.27 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.898 HD11 ' HB3' ' A' ' 18' ' ' LEU . 4.1 pp -76.82 -27.48 55.19 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 121.036 -0.266 . . . . 0.0 111.235 174.255 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.662 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 74.6 mt -62.77 -38.63 91.39 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.781 -0.19 . . . . 0.0 111.49 -176.571 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.556 ' HG2' ' O ' ' A' ' 21' ' ' LYS . 24.4 ptt180 -59.86 -5.85 1.09 Allowed 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 120.87 0.367 . . . . 0.0 111.8 178.352 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.516 ' HD3' ' HA ' ' A' ' 22' ' ' LEU . 22.4 mtpp -106.65 -8.29 16.98 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.75 -178.333 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.835 HG23 ' HG ' ' A' ' 47' ' ' LEU . 21.4 t -80.82 86.15 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.952 179.405 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 22.4 pt -70.24 -22.83 24.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.63 -0.714 . . . . 0.0 112.868 -172.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -142.02 157.43 44.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.025 0.441 . . . . 0.0 111.348 -176.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 57.4 t -120.5 122.75 68.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.586 176.3 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -109.28 149.86 28.82 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 -175.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 55.1 tp -130.06 120.34 24.53 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-O 120.928 0.394 . . . . 0.0 110.711 179.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.557 ' OE1' ' HA ' ' A' ' 9' ' ' CYS . 8.8 tt0 -84.51 105.45 15.33 Favored 'General case' 0 N--CA 1.445 -0.71 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 170.59 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -61.41 151.76 31.56 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.836 178.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.465 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . . . -74.16 18.7 0.14 Allowed 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 113.11 0.782 . . . . 0.0 113.11 -169.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -177.93 -34.74 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.476 0.179 . . . . 0.0 110.773 -175.154 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -46.62 -67.79 1.3 Allowed Glycine 0 C--N 1.336 0.548 0 O-C-N 123.98 0.8 . . . . 0.0 114.34 -175.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -88.2 -51.71 5.62 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 69.6 m -142.55 155.62 45.03 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.599 -1.182 . . . . 0.0 108.707 175.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 6.6 p-80 -79.77 77.55 6.4 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.233 0.54 . . . . 0.0 111.526 -178.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.9 tt -168.89 125.52 0.96 Allowed 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 176.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.465 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 8.3 tt0 -91.58 117.14 29.46 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.684 0.278 . . . . 0.0 110.348 -178.777 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.536 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -146.33 132.72 19.62 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.902 0.382 . . . . 0.0 111.536 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.785 ' HB3' ' HG ' ' A' ' 61' ' ' LEU . 2.2 m-85 -91.58 113.6 25.91 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 172.812 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 62.0 t -108.77 130.18 62.04 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.94 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.656 -171.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.614 HD13 HD13 ' A' ' 18' ' ' LEU . 24.1 mt -92.31 118.34 30.81 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.169 0.509 . . . . 0.0 110.867 -178.612 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 61.5 t60 -96.67 97.82 9.67 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.512 -176.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.835 ' HG ' HG23 ' A' ' 26' ' ' VAL . 5.7 mp -80.47 162.14 24.54 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 174.318 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.56 -9.18 12.04 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -179.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -107.72 -48.83 3.34 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.705 -0.479 . . . . 0.0 109.705 179.076 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.25 169.53 22.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.022 -173.332 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 56.2 m -108.04 141.73 39.27 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.586 175.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 63.9 mt -118.57 140.55 41.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 176.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 63.0 m -100.52 125.14 46.83 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.535 0.683 . . . . 0.0 110.895 -172.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.588 HD12 ' HB2' ' A' ' 60' ' ' SER . 33.3 mt -127.24 147.26 32.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 114.964 -1.016 . . . . 0.0 110.919 -173.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.463 ' CD2' ' HD2' ' A' ' 56' ' ' PRO . 31.9 t-80 -60.36 137.06 91.96 Favored Pre-proline 0 C--N 1.327 -0.374 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 174.312 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.536 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 4.1 Cg_endo -48.04 -62.06 0.5 Allowed 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.593 2.195 . . . . 0.0 112.184 179.221 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 25.6 mp0 -84.02 79.95 9.33 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 172.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.438 ' HB2' ' O ' ' A' ' 55' ' ' HIS . 3.1 t30 -134.63 137.28 27.23 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.656 177.661 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -46.61 -44.14 21.81 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 123.236 2.624 . . . . 0.0 112.944 -178.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.588 ' HB2' HD12 ' A' ' 54' ' ' ILE . 1.0 OUTLIER -56.13 -46.16 79.28 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.81 -178.834 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.785 ' HG ' ' HB3' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -77.61 -41.28 39.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.741 -172.703 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 9.4 t -72.47 -43.02 64.3 Favored 'General case' 0 C--O 1.239 0.536 0 CA-C-O 120.97 0.415 . . . . 0.0 111.13 -175.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -63.97 -28.29 69.72 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 175.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.662 ' CZ3' ' HB3' ' A' ' 23' ' ' LEU . 10.3 t-105 -61.31 -39.22 89.69 Favored 'General case' 0 C--O 1.218 -0.568 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.345 176.355 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -56.09 -40.08 73.1 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 121.117 -0.233 . . . . 0.0 110.682 176.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.47 ' HB3' HH21 ' A' ' 70' ' ' ARG . 44.9 mt-10 -65.55 -50.79 63.88 Favored 'General case' 0 C--O 1.24 0.557 0 CA-C-O 121.894 0.854 . . . . 0.0 110.223 174.362 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.611 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 11.5 m-70 -65.93 -50.23 65.16 Favored 'General case' 0 C--O 1.219 -0.503 0 CA-C-N 114.817 -1.083 . . . . 0.0 111.509 -173.284 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.49 ' HB3' ' CE2' ' A' ' 64' ' ' TRP . 3.9 pt20 -61.62 -32.59 72.73 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 120.899 0.381 . . . . 0.0 110.789 -177.471 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -55.5 -37.24 67.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.6 177.157 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.47 HH21 ' HB3' ' A' ' 66' ' ' GLU . 1.1 ptt180 -114.53 30.83 7.04 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.329 -0.851 . . . . 0.0 111.261 178.399 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.611 ' HB2' ' O ' ' A' ' 67' ' ' HIS . 5.8 tppt? -136.99 -157.55 0.79 Allowed 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 -176.68 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.556 HD22 ' CZ2' ' A' ' 64' ' ' TRP . 1.8 mm? . . . . . 0 N--CA 1.465 0.315 0 N-CA-C 114.116 1.154 . . . . 0.0 114.116 -176.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 44.4 m . . . . . 0 N--CA 1.451 -0.415 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 59.9 m -72.52 116.16 12.66 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.21 -174.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.2 p -93.62 -2.38 54.15 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-O 121.633 0.73 . . . . 0.0 109.932 173.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -134.65 157.21 47.23 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.972 -1.013 . . . . 0.0 110.103 177.832 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.453 HD13 ' HB2' ' A' ' 55' ' ' HIS . 96.0 mt -134.67 127.45 31.12 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 -178.172 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.408 ' CD2' ' HB3' ' A' ' 16' ' ' LYS . 10.2 t80 -69.38 -48.8 60.09 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 -178.248 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.53 ' HA ' ' OD1' ' A' ' 58' ' ' ASN . 68.0 mtm180 59.87 17.39 6.47 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.573 174.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.408 ' HB3' ' CD2' ' A' ' 14' ' ' TYR . 48.8 tttm -122.77 136.24 26.56 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.931 -174.723 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -53.13 127.46 25.16 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.906 2.404 . . . . 0.0 112.319 179.015 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.847 ' HB3' HD13 ' A' ' 22' ' ' LEU . 78.2 mt -85.07 139.85 31.43 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.486 -178.102 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.685 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 15.2 m -63.18 139.92 58.82 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.661 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.518 ' HA ' ' HB2' ' A' ' 23' ' ' LEU . 12.0 t70 -66.16 -26.72 67.56 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.797 0.332 . . . . 0.0 111.445 -175.099 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.59 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 98.3 mttt -57.84 -47.88 81.39 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.823 176.196 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.847 HD13 ' HB3' ' A' ' 18' ' ' LEU . 4.5 pp -72.96 -27.65 61.94 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.568 -0.453 . . . . 0.0 109.97 176.562 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.518 ' HB2' ' HA ' ' A' ' 20' ' ' ASP . 21.7 mt -60.04 -40.72 90.38 Favored 'General case' 0 C--O 1.225 -0.234 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.869 179.34 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.616 ' HB3' ' HD2' ' A' ' 71' ' ' LYS . 16.3 ptp180 -71.01 4.64 2.51 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 122.079 -0.388 . . . . 0.0 111.495 -179.29 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt -119.46 8.06 11.28 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.949 175.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.797 HG21 ' HG ' ' A' ' 47' ' ' LEU . 25.2 t -85.17 101.63 9.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 109.157 -0.682 . . . . 0.0 109.157 177.016 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 39.0 pt -81.59 -25.97 9.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -170.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 25.1 mm-40 -147.55 157.38 43.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.008 0.432 . . . . 0.0 111.121 -177.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.448 HG13 HD21 ' A' ' 45' ' ' LEU . 35.6 t -118.84 126.06 74.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 174.702 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.598 ' HG3' ' HB ' ' A' ' 44' ' ' VAL . 13.8 pt-20 -120.3 147.8 44.53 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.191 0.519 . . . . 0.0 110.524 -177.746 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 52.0 tp -114.86 128.79 56.5 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.442 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.512 ' O ' ' HA ' ' A' ' 41' ' ' GLN . 6.2 tt0 -87.01 103.58 15.49 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 107.547 -1.279 . . . . 0.0 107.547 170.373 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.504 ' HB2' ' H ' ' A' ' 37' ' ' ASP . 42.5 mt-10 -61.17 152.33 28.96 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 179.787 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.615 ' HB3' ' HB2' ' A' ' 41' ' ' GLN . . . -69.27 1.82 3.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.235 -173.314 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -168.33 -36.0 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.684 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -56.24 -54.69 33.9 Favored Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 115.389 -0.823 . . . . 0.0 113.278 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.504 ' H ' ' HB2' ' A' ' 33' ' ' GLU . 19.7 m-20 -86.16 -45.93 10.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.989 0.424 . . . . 0.0 110.595 179.392 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.48 ' HB3' ' OE1' ' A' ' 32' ' ' GLN . 2.6 t -156.99 -176.03 5.75 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 -179.419 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 61.7 t60 -81.88 10.08 7.01 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.028 0.442 . . . . 0.0 111.34 -175.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.7 tt -136.39 136.61 39.75 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 -175.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.615 ' HB2' ' HB3' ' A' ' 34' ' ' ALA . 30.1 tt0 -93.29 120.44 33.58 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.351 176.361 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.541 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -148.11 140.38 24.26 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.081 -179.399 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -91.23 113.64 25.96 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 172.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.598 ' HB ' ' HG3' ' A' ' 30' ' ' GLU . 66.1 t -108.37 125.16 65.15 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.862 0 CA-C-O 121.141 0.496 . . . . 0.0 110.608 -173.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.73 HD12 HD11 ' A' ' 18' ' ' LEU . 61.9 mt -92.56 121.96 34.51 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.868 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -103.06 101.86 11.86 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.342 -171.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.797 ' HG ' HG21 ' A' ' 26' ' ' VAL . 5.6 mp -83.09 165.21 19.75 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 174.777 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.78 -10.2 59.43 Favored 'General case' 0 C--N 1.318 -0.773 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.953 -179.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.48 -6.19 6.43 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.646 179.138 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.515 ' HB2' ' HB2' ' A' ' 47' ' ' LEU . 50.1 mtt180 -145.41 161.42 39.72 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 -168.181 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 12.8 m -137.17 123.24 20.33 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 168.181 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 67.5 mt -120.28 136.71 56.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 120.564 0.221 . . . . 0.0 110.447 -175.034 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 64.5 m -100.29 120.39 39.85 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.594 0.711 . . . . 0.0 110.427 -174.255 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.452 HG22 ' HB2' ' A' ' 58' ' ' ASN . 1.0 OUTLIER -120.34 141.92 38.47 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.742 -176.839 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.502 ' O ' ' HB2' ' A' ' 58' ' ' ASN . 40.2 t-80 -76.95 130.1 76.74 Favored Pre-proline 0 C--N 1.325 -0.473 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 176.502 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.541 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 45.7 Cg_exo -36.93 -48.13 1.48 Allowed 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 123.778 2.985 . . . . 0.0 114.328 -176.184 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 26.1 mm-40 -80.62 53.4 1.86 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.475 0.655 . . . . 0.0 111.169 178.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.53 ' OD1' ' HA ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -112.36 112.28 51.98 Favored Pre-proline 0 C--N 1.319 -0.76 0 CA-C-N 115.304 -0.862 . . . . 0.0 108.952 174.744 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -54.29 -24.77 35.79 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.43 2.087 . . . . 0.0 110.807 175.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.9 m -53.42 -41.62 66.21 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.043 -0.98 . . . . 0.0 111.503 173.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.426 HD23 HG21 ' A' ' 54' ' ' ILE . 0.2 OUTLIER -73.38 -40.75 64.1 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-O 121.044 0.45 . . . . 0.0 109.934 -177.246 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.9 t -69.16 -42.3 76.11 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.743 0.782 . . . . 0.0 109.666 -179.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -63.05 -29.04 70.5 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.732 -1.122 . . . . 0.0 110.113 177.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.574 ' HZ3' ' HZ2' ' A' ' 71' ' ' LYS . 16.6 t-105 -69.88 -38.01 76.24 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.36 176.631 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -54.78 -38.37 67.18 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.97 0.414 . . . . 0.0 110.438 175.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -69.43 -51.71 33.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.567 0.699 . . . . 0.0 110.518 175.073 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.722 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 10.4 m170 -69.48 -30.49 68.37 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.596 -0.729 . . . . 0.0 112.316 -172.749 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.492 ' HB3' ' CE2' ' A' ' 64' ' ' TRP . 13.2 pt20 -73.84 -30.24 62.57 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 117.99 0.359 . . . . 0.0 110.13 177.619 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -60.08 -31.4 69.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.584 176.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 10.6 ptp180 -112.22 32.66 5.38 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.654 178.181 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.722 ' HB2' ' O ' ' A' ' 67' ' ' HIS . 0.2 OUTLIER -130.61 -149.98 0.41 Allowed 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.904 -176.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.403 ' H ' ' HG3' ' A' ' 71' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.472 0.64 0 O-C-N 124.728 1.268 . . . . 0.0 114.356 -176.084 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 36.8 t . . . . . 0 N--CA 1.449 -0.51 0 N-CA-C 107.701 -1.222 . . . . 0.0 107.701 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 18.7 m -61.98 118.93 7.92 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 114.408 -1.269 . . . . 0.0 111.974 -176.224 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 18.7 p -80.28 -44.22 19.97 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.442 170.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -79.44 153.89 29.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.314 172.209 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 91.7 mt -142.74 143.02 32.06 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.225 -178.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.647 ' CE2' ' HB2' ' A' ' 16' ' ' LYS . 54.6 t80 -73.11 -56.44 5.11 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.731 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 28.5 ttp180 72.35 -16.98 0.4 Allowed 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 115.556 -0.747 . . . . 0.0 112.879 172.155 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.647 ' HB2' ' CE2' ' A' ' 14' ' ' TYR . 65.5 mttm -84.27 145.57 45.96 Favored Pre-proline 0 C--N 1.322 -0.623 0 O-C-N 121.84 -0.537 . . . . 0.0 110.079 175.749 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.702 ' HA ' ' HB2' ' A' ' 60' ' ' SER . 32.5 Cg_exo -59.39 135.71 66.99 Favored 'Trans proline' 0 C--O 1.237 0.449 0 C-N-CA 122.558 2.172 . . . . 0.0 112.043 177.529 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.674 HD11 HD11 ' A' ' 45' ' ' LEU . 80.6 mt -88.94 152.34 21.77 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.735 -179.133 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 25.0 m -75.74 146.29 40.18 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.88 -179.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.417 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 30.2 t70 -58.52 -31.08 67.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.099 -178.381 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 51.8 mttp -55.21 -46.41 75.92 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.487 177.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.24 -35.7 66.29 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.893 179.406 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.54 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 76.5 mt -63.99 -44.73 91.81 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.1 -175.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.431 ' HB3' ' HD2' ' A' ' 71' ' ' LYS . 17.4 ptm180 -69.81 4.17 2.14 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 121.371 0.605 . . . . 0.0 111.275 177.422 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.444 ' H ' ' C ' ' A' ' 23' ' ' LEU . 25.6 mtpt -112.06 -2.68 14.96 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.264 179.148 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.704 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 55.8 t -74.13 152.3 7.06 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.672 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.209 175.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 12.0 pt -117.37 -38.67 2.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.134 177.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 58.5 mm-40 -148.37 157.17 43.32 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 120.972 0.415 . . . . 0.0 110.978 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.405 HG12 HD22 ' A' ' 45' ' ' LEU . 43.3 t -108.66 121.28 61.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 172.674 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.699 ' HG3' ' HB ' ' A' ' 44' ' ' VAL . 10.7 pt-20 -106.26 113.02 26.3 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-O 121.553 0.692 . . . . 0.0 110.367 -177.608 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 47.4 tp -82.21 105.55 13.39 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.657 -179.175 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -74.61 104.28 5.23 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.132 172.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -77.49 158.52 29.9 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.924 0.392 . . . . 0.0 111.494 -178.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.625 ' HB1' ' HB2' ' A' ' 41' ' ' GLN . . . -80.23 3.0 22.22 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.481 -177.598 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -146.56 -45.1 0.19 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.066 177.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -59.25 -63.8 4.84 Favored Glycine 0 CA--C 1.519 0.33 0 C-N-CA 121.19 -0.529 . . . . 0.0 113.507 -178.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -85.78 -49.78 7.66 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.271 0.557 . . . . 0.0 110.935 -176.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 42.7 t -135.42 -171.6 2.87 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 -175.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 12.3 p-80 -104.59 16.93 25.09 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.559 0.695 . . . . 0.0 109.992 174.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.5 tt -142.75 130.78 21.81 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.116 -0.947 . . . . 0.0 108.495 178.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.625 ' HB2' ' HB1' ' A' ' 34' ' ' ALA . 60.5 tt0 -83.29 129.81 35.03 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.686 0.279 . . . . 0.0 110.82 -177.336 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.555 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -148.0 146.68 29.02 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.791 179.452 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.787 ' HB3' ' HG ' ' A' ' 61' ' ' LEU . 22.7 m-85 -99.33 101.14 12.33 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 174.626 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.699 ' HB ' ' HG3' ' A' ' 30' ' ' GLU . 23.2 t -98.96 131.52 46.03 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.567 -173.664 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.674 HD11 HD11 ' A' ' 18' ' ' LEU . 66.7 mt -100.49 123.73 45.08 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.39 -178.616 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -104.43 108.54 20.01 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.594 -175.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.704 ' HA ' ' HA ' ' A' ' 26' ' ' VAL . 6.2 mp -89.31 166.61 13.65 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 176.272 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.12 -7.45 46.67 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.033 0.383 . . . . 0.0 112.033 -174.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.408 ' NE2' ' HB3' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -138.57 8.69 2.62 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 113.021 0.749 . . . . 0.0 113.021 177.947 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -168.35 168.28 11.44 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 120.511 -0.476 . . . . 0.0 111.873 -178.095 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.5 m -132.3 139.86 48.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.807 177.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 72.2 mt -132.45 132.78 60.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 179.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 92.4 m -101.36 121.05 41.22 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.612 0.72 . . . . 0.0 110.924 -175.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -109.14 140.63 27.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.395 -0.82 . . . . 0.0 111.17 -177.633 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.449 ' O ' ' HB2' ' A' ' 58' ' ' ASN . 26.8 t-80 -71.39 126.3 91.79 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.816 173.666 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.555 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 50.0 Cg_exo -56.42 161.75 9.0 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.765 2.31 . . . . 0.0 111.351 177.567 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.466 ' HB2' ' O ' ' A' ' 56' ' ' PRO . 2.4 mp0 66.02 58.98 0.72 Allowed 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 -170.416 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.449 ' HB2' ' O ' ' A' ' 55' ' ' HIS . 13.1 t-20 -141.39 128.62 11.74 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-N 114.527 -1.215 . . . . 0.0 110.567 -174.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -56.92 -34.58 97.48 Favored 'Trans proline' 0 N--CA 1.463 -0.297 0 C-N-CA 122.885 2.39 . . . . 0.0 112.86 -178.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.702 ' HB2' ' HA ' ' A' ' 17' ' ' PRO . 20.7 t -65.33 -37.82 88.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.879 -0.146 . . . . 0.0 111.137 -175.332 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.787 ' HG ' ' HB3' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -79.53 -44.8 20.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.625 0.25 . . . . 0.0 110.478 -177.573 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.1 t -60.21 -50.63 72.88 Favored 'General case' 0 C--O 1.243 0.713 0 CA-C-O 121.401 0.619 . . . . 0.0 110.349 179.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -64.14 -28.95 70.11 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.038 177.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.54 ' CZ3' ' HB3' ' A' ' 23' ' ' LEU . 26.4 t-105 -67.89 -37.06 81.29 Favored 'General case' 0 C--O 1.219 -0.538 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.693 179.357 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.586 ' HA ' HE21 ' A' ' 68' ' ' GLN . 2.7 m-85 -55.48 -46.57 76.85 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.924 0.392 . . . . 0.0 110.217 176.218 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -64.82 -48.62 73.72 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-O 121.72 0.772 . . . . 0.0 110.085 175.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.468 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 40.2 m170 -63.92 -43.81 94.81 Favored 'General case' 0 C--O 1.215 -0.743 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.959 -175.129 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.586 HE21 ' HA ' ' A' ' 65' ' ' PHE . 30.3 pt20 -62.73 -35.28 79.25 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 117.648 0.204 . . . . 0.0 110.972 -175.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -53.06 -42.93 66.28 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-O 121.309 0.576 . . . . 0.0 109.52 173.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.5 ptp180 -114.89 26.22 10.33 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 -176.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.468 ' HB2' ' O ' ' A' ' 67' ' ' HIS . 14.9 tppt? -104.22 -99.03 0.31 Allowed 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 120.297 -0.561 . . . . 0.0 111.539 -176.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.404 ' H ' ' CD1' ' A' ' 72' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.332 -0.163 0 CA-C-O 120.743 0.306 . . . . 0.0 110.513 170.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.473 ' HA ' ' CB ' ' A' ' 38' ' ' CYS . 45.5 t . . . . . 0 CA--C 1.516 -0.342 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -115.75 119.43 36.03 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.78 -170.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 20.9 p -90.62 6.17 44.94 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.896 0.379 . . . . 0.0 111.743 -178.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -155.57 159.36 39.62 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.044 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.415 HD11 ' HA ' ' A' ' 55' ' ' HIS . 85.2 mt -124.8 142.25 51.55 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 178.742 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.448 ' CE2' ' HB3' ' A' ' 16' ' ' LYS . 25.9 t80 -66.46 -33.33 75.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.815 0.34 . . . . 0.0 110.278 -177.567 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 62.7 mtm180 59.19 27.21 16.15 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.899 173.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.448 ' HB3' ' CE2' ' A' ' 14' ' ' TYR . 61.0 tttp -146.47 136.45 11.94 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.823 -179.05 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -60.25 144.39 99.5 Favored 'Trans proline' 0 C--O 1.233 0.241 0 C-N-CA 122.529 2.153 . . . . 0.0 111.682 176.066 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.576 ' HB3' HD13 ' A' ' 22' ' ' LEU . 84.8 mt -94.38 159.99 14.87 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.907 -176.475 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.618 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 18.1 m -81.18 137.91 35.88 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.466 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.545 ' HA ' HD13 ' A' ' 23' ' ' LEU . 21.1 t70 -62.43 -29.23 70.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.93 0.395 . . . . 0.0 111.938 -173.523 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.513 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 91.8 mttt -63.51 -46.29 86.73 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.824 -179.221 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.618 ' HG ' ' O ' ' A' ' 19' ' ' SER . 4.4 pp -73.94 -26.73 60.65 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 176.378 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.545 HD13 ' HA ' ' A' ' 20' ' ' ASP . 18.2 mt -60.54 -46.77 88.94 Favored 'General case' 0 C--O 1.221 -0.443 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.599 179.076 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.513 ' HG2' ' O ' ' A' ' 21' ' ' LYS . 5.8 ptm180 -59.74 -7.81 1.77 Allowed 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 -177.808 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.4 mtmt -98.44 -7.02 29.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.828 0.347 . . . . 0.0 110.76 178.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.87 HG23 ' HG ' ' A' ' 47' ' ' LEU . 46.5 t -74.3 120.74 24.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 -178.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 26.8 pt -100.54 -21.55 5.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -169.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.499 ' HB2' ' HB3' ' A' ' 46' ' ' HIS . 82.5 mm-40 -144.47 155.96 43.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.007 0.432 . . . . 0.0 111.279 -178.097 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.5 t -127.1 118.11 49.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 175.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -125.7 144.3 50.67 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.225 0.536 . . . . 0.0 111.434 -174.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 57.4 tp -103.56 127.33 51.0 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.017 -177.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.532 ' NE2' ' HB3' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -97.42 119.08 35.3 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 173.244 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -78.98 162.23 26.1 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.946 0.403 . . . . 0.0 111.877 -170.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.487 ' HB1' ' HB2' ' A' ' 41' ' ' GLN . . . -78.49 6.28 8.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.874 -174.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.449 ' HA ' ' HA ' ' A' ' 39' ' ' HIS . 27.5 t70 -174.08 139.04 0.62 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.192 -178.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 137.26 -111.84 0.87 Allowed Glycine 0 N--CA 1.445 -0.728 0 N-CA-C 111.468 -0.653 . . . . 0.0 111.468 -177.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -63.94 -45.79 87.63 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 175.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.532 ' HB3' ' NE2' ' A' ' 32' ' ' GLN . 0.5 OUTLIER -136.15 126.97 27.44 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.662 -1.154 . . . . 0.0 108.388 178.517 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.449 ' HA ' ' HA ' ' A' ' 35' ' ' ASP . 8.8 p-80 -90.13 73.56 7.22 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 112.864 0.69 . . . . 0.0 112.864 -172.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.419 ' O ' HD21 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -175.01 139.14 0.47 Allowed 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.353 171.35 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.487 ' HB2' ' HB1' ' A' ' 34' ' ' ALA . 8.6 tt0 -79.81 127.55 32.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.732 0.301 . . . . 0.0 110.828 -173.376 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.411 ' HB3' ' HB3' ' A' ' 32' ' ' GLN . . . -148.27 138.97 22.94 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.145 -179.595 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.41 ' CD1' ' HA ' ' A' ' 56' ' ' PRO . 19.0 m-85 -101.92 111.43 23.69 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 173.425 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 14.5 t -105.09 125.55 60.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-O 121.344 0.592 . . . . 0.0 111.263 -171.114 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.482 HD11 HD12 ' A' ' 18' ' ' LEU . 73.3 mt -95.94 124.1 39.82 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.123 179.505 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.499 ' HB3' ' HB2' ' A' ' 28' ' ' GLN . 3.5 t-160 -99.92 99.2 9.94 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.782 -171.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.87 ' HG ' HG23 ' A' ' 26' ' ' VAL . 6.3 mp -83.17 170.21 14.98 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 175.135 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.39 -20.23 66.01 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -172.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.59 11.26 3.74 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.85 -175.488 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.9 ptp180 -171.54 166.32 6.8 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 120.641 0.258 . . . . 0.0 111.122 -177.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.7 m -132.08 138.66 48.23 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 175.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 66.2 mt -121.87 137.44 55.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.355 -0.384 . . . . 0.0 109.99 -178.306 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 72.4 m -101.4 121.51 42.05 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.5 0.666 . . . . 0.0 110.521 -177.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -109.51 147.23 14.1 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.866 0 CA-C-N 114.901 -1.045 . . . . 0.0 110.149 -176.742 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.657 ' O ' ' HB2' ' A' ' 58' ' ' ASN . 22.1 t-80 -65.41 131.46 94.93 Favored Pre-proline 0 C--N 1.326 -0.435 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 175.5 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.41 ' HA ' ' CD1' ' A' ' 43' ' ' PHE . 10.2 Cg_endo -53.09 141.17 58.68 Favored 'Trans proline' 0 CA--C 1.526 0.117 0 C-N-CA 122.961 2.44 . . . . 0.0 112.817 179.756 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 70.43 12.63 7.48 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.85 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.657 ' HB2' ' O ' ' A' ' 55' ' ' HIS . 0.7 OUTLIER -71.28 139.59 84.64 Favored Pre-proline 0 C--N 1.329 -0.284 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 175.692 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -51.46 -40.3 63.03 Favored 'Trans proline' 0 C--O 1.224 -0.214 0 C-N-CA 123.227 2.618 . . . . 0.0 112.644 -178.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 12.3 t -62.66 -26.63 68.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.491 -177.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.05 -46.76 15.99 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 34.1 t -64.09 -50.3 68.85 Favored 'General case' 0 C--O 1.242 0.691 0 CA-C-O 121.409 0.623 . . . . 0.0 110.76 179.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -60.73 -28.75 68.91 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.302 178.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.606 ' CE2' ' HB3' ' A' ' 68' ' ' GLN . 26.7 t-105 -67.27 -37.46 83.49 Favored 'General case' 0 N--CA 1.447 -0.62 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.885 179.128 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.668 ' HA ' HE21 ' A' ' 68' ' ' GLN . 29.9 m-85 -53.66 -43.65 68.99 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 121.064 0.459 . . . . 0.0 110.005 176.195 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.48 ' O ' ' HB3' ' A' ' 69' ' ' GLU . 54.5 mt-10 -67.5 -49.45 63.44 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-O 121.826 0.822 . . . . 0.0 110.659 177.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.427 ' HB3' ' CE ' ' A' ' 71' ' ' LYS . 13.3 m170 -65.33 -49.2 70.33 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.196 -0.911 . . . . 0.0 111.712 -172.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.668 HE21 ' HA ' ' A' ' 65' ' ' PHE . 29.5 pt20 -61.61 -28.52 69.42 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.835 0.35 . . . . 0.0 110.156 -179.628 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.48 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 38.9 tt0 -57.84 -36.75 72.73 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.652 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 22.0 ptt180 -113.74 15.97 18.63 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 120.073 -0.651 . . . . 0.0 112.258 179.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.526 ' HE3' ' OD1' ' A' ' 20' ' ' ASP . 63.0 mttm -118.85 -160.51 0.8 Allowed 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 110.1 -0.334 . . . . 0.0 110.1 176.19 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.456 HD21 ' O ' ' A' ' 26' ' ' VAL . 7.5 mp . . . . . 0 C--N 1.345 0.382 0 O-C-N 123.557 0.536 . . . . 0.0 111.502 -175.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 53.8 t . . . . . 0 N--CA 1.449 -0.516 0 N-CA-C 107.573 -1.269 . . . . 0.0 107.573 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 79.8 m -76.97 117.58 18.7 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 114.868 -1.06 . . . . 0.0 111.552 -171.061 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -92.67 -10.35 37.56 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.572 170.032 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -112.48 149.39 32.68 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.945 -1.025 . . . . 0.0 110.104 174.425 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 96.2 mt -136.24 135.48 39.08 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.716 0.293 . . . . 0.0 110.541 -176.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.451 ' CE2' ' HB2' ' A' ' 16' ' ' LYS . 36.5 t80 -72.42 -46.24 56.01 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.555 -179.385 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 47.0 mtp180 71.05 -25.51 0.17 Allowed 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 113.334 0.864 . . . . 0.0 113.334 173.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.451 ' HB2' ' CE2' ' A' ' 14' ' ' TYR . 57.6 mttp -85.47 155.22 59.7 Favored Pre-proline 0 C--N 1.322 -0.63 0 O-C-N 122.185 -0.322 . . . . 0.0 110.52 -179.689 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_exo -62.08 143.19 94.53 Favored 'Trans proline' 0 C--O 1.233 0.256 0 C-N-CA 122.558 2.172 . . . . 0.0 111.195 172.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.573 HD22 HG23 ' A' ' 52' ' ' ILE . 69.2 mt -91.11 138.46 31.58 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 120.882 0.372 . . . . 0.0 110.873 -176.238 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.541 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 25.0 m -56.24 128.32 35.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.546 177.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -61.15 -28.77 69.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.207 -0.451 . . . . 0.0 112.094 -172.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.473 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 45.5 mmtm -68.08 -44.16 76.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.5 0.19 . . . . 0.0 111.033 179.657 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' A' ' 19' ' ' SER . 4.5 pp -75.73 -28.62 58.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.221 0.534 . . . . 0.0 110.161 174.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.649 ' HG ' ' CZ3' ' A' ' 64' ' ' TRP . 15.9 tp -66.42 -31.5 72.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.452 -173.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.473 ' HG2' ' O ' ' A' ' 21' ' ' LYS . 4.0 ptm180 -68.04 -9.01 42.54 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.674 0.273 . . . . 0.0 111.61 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 47.6 mtmt -104.76 9.19 35.06 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.859 0.362 . . . . 0.0 110.966 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.716 HG21 ' HG ' ' A' ' 47' ' ' LEU . 51.7 t -79.5 98.15 2.94 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.57 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 171.138 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 19.9 pt -83.5 -18.69 10.09 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.919 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.865 -169.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 37.5 mm-40 -154.16 157.63 39.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.296 -179.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 4.0 p -119.2 126.18 75.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 174.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -112.71 127.74 56.21 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.293 0.568 . . . . 0.0 110.82 -175.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 41.1 tp -91.44 106.68 18.67 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.285 -177.383 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.519 ' O ' ' HA ' ' A' ' 41' ' ' GLN . 49.1 tt0 -79.84 107.82 12.92 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 171.652 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -76.67 158.77 30.78 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.914 0.388 . . . . 0.0 111.353 -176.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.64 ' HB1' ' HB2' ' A' ' 41' ' ' GLN . . . -75.72 -6.54 51.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.915 -175.313 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -168.45 26.5 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.595 0.712 . . . . 0.0 109.494 -178.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -93.47 -96.94 1.5 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.669 -0.777 . . . . 0.0 111.636 -179.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -78.21 -15.15 59.07 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.389 0.614 . . . . 0.0 109.921 175.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.1 t -156.94 170.44 22.51 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 176.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.486 ' O ' ' HB2' ' A' ' 40' ' ' LEU . 28.2 t60 -105.03 76.84 1.27 Allowed 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.094 -178.353 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.486 ' HB2' ' O ' ' A' ' 39' ' ' HIS . 5.6 tt 175.59 121.98 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 175.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.64 ' HB2' ' HB1' ' A' ' 34' ' ' ALA . 34.5 tt0 -86.12 123.96 32.0 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.357 0.599 . . . . 0.0 111.757 -176.184 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.558 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -148.45 134.7 19.4 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.431 177.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.565 ' O ' ' HB ' ' A' ' 54' ' ' ILE . 13.9 m-85 -89.86 99.99 12.89 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 172.336 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 25.1 t -102.05 136.3 34.8 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.98 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.038 -172.183 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.491 HD13 HD13 ' A' ' 18' ' ' LEU . 53.0 mt -99.06 125.47 44.57 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.173 0.511 . . . . 0.0 110.934 -175.677 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 19.2 t-80 -98.08 99.9 11.19 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.696 -172.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.716 ' HG ' HG21 ' A' ' 26' ' ' VAL . 5.9 mp -89.1 162.48 15.95 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.057 177.172 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.56 15.57 0.1 Allowed 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.116 -0.493 . . . . 0.0 112.11 -178.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.498 ' H ' ' C ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -133.27 -51.19 0.88 Allowed 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 179.281 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -163.6 167.19 21.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.234 -178.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.4 m -98.32 144.46 27.7 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.178 0.513 . . . . 0.0 111.737 -176.042 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.573 HG23 HD22 ' A' ' 18' ' ' LEU . 68.4 mt -111.45 135.38 50.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.148 175.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 30.7 m -100.39 121.8 42.1 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.239 0.543 . . . . 0.0 110.823 -169.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.565 ' HB ' ' O ' ' A' ' 43' ' ' PHE . 39.6 mt -124.34 142.76 40.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.604 -0.726 . . . . 0.0 111.182 -174.557 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.6 ' O ' ' HB2' ' A' ' 58' ' ' ASN . 42.1 t-80 -70.65 134.61 86.21 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.474 176.594 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.558 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 1.1 Cg_endo -46.16 -48.56 12.81 Favored 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 122.999 2.466 . . . . 0.0 112.702 -179.34 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -84.13 82.0 8.56 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 173.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.6 ' HB2' ' O ' ' A' ' 55' ' ' HIS . 0.9 OUTLIER -148.5 122.96 4.88 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-N 115.301 -0.863 . . . . 0.0 108.872 177.25 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -54.37 -29.29 57.63 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.74 2.293 . . . . 0.0 112.225 -173.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.412 ' HG ' HD11 ' A' ' 54' ' ' ILE . 6.4 p -60.03 -33.62 72.27 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.475 -0.784 . . . . 0.0 112.071 -178.462 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.523 ' HG ' ' HB3' ' A' ' 43' ' ' PHE . 0.3 OUTLIER -79.76 -47.17 15.69 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 121.001 -0.28 . . . . 0.0 110.256 -176.337 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.506 ' HA ' ' CD2' ' A' ' 65' ' ' PHE . 47.0 t -60.06 -46.53 89.23 Favored 'General case' 0 C--O 1.24 0.571 0 CA-C-O 121.268 0.556 . . . . 0.0 110.261 177.196 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -63.59 -28.67 70.09 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.256 177.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.649 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 30.6 t-105 -69.33 -34.01 73.99 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.746 177.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.566 ' HA ' HE21 ' A' ' 68' ' ' GLN . 21.0 m-85 -53.32 -51.31 62.81 Favored 'General case' 0 C--O 1.238 0.483 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 175.223 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -63.97 -47.14 81.57 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.346 178.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 33.7 m170 -68.6 -43.29 76.75 Favored 'General case' 0 C--O 1.221 -0.405 0 CA-C-N 115.434 -0.803 . . . . 0.0 112.477 -173.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.566 HE21 ' HA ' ' A' ' 65' ' ' PHE . 28.7 pt20 -65.03 -27.42 68.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 117.882 0.31 . . . . 0.0 110.592 -176.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -63.76 -40.57 97.02 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.145 175.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 34.0 ptt180 -113.47 33.4 5.16 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 116.344 -0.389 . . . . 0.0 112.023 -178.144 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.469 ' HG2' ' H ' ' A' ' 72' ' ' LEU . 12.2 ttmm -141.04 -167.86 2.48 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 174.281 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.469 ' H ' ' HG2' ' A' ' 71' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--N 1.346 0.453 0 C-N-CA 124.114 0.966 . . . . 0.0 112.244 -173.432 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.625 ' HA ' ' NE2' ' A' ' 32' ' ' GLN . 49.3 t . . . . . 0 N--CA 1.445 -0.698 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 76.1 m -79.67 117.25 20.42 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.813 -177.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.1 p -94.63 2.05 55.6 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.305 0.574 . . . . 0.0 110.182 173.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -132.95 145.61 51.04 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.426 177.534 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 98.2 mt -122.1 142.13 50.69 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.535 -177.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.432 ' CE2' ' HB3' ' A' ' 16' ' ' LYS . 12.3 t80 -75.08 -40.42 60.12 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.743 -177.549 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 60.66 23.54 13.36 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 175.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.435 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 85.3 tttt -136.97 133.4 18.64 Favored Pre-proline 0 C--N 1.319 -0.739 0 CA-C-O 120.594 0.235 . . . . 0.0 110.53 -177.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.78 ' HA ' ' HB3' ' A' ' 60' ' ' SER . 33.7 Cg_exo -62.17 130.02 29.11 Favored 'Trans proline' 0 N--CA 1.464 -0.242 0 C-N-CA 122.737 2.292 . . . . 0.0 111.838 176.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.696 ' HB3' HD12 ' A' ' 22' ' ' LEU . 90.4 mt -84.34 160.96 20.58 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.821 -178.078 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.661 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 22.3 m -70.12 135.18 48.93 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.614 177.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.522 ' HA ' HD12 ' A' ' 23' ' ' LEU . 22.7 t70 -60.28 -32.52 71.27 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.963 0.411 . . . . 0.0 111.037 -178.535 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.473 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 36.7 mmtm -59.13 -45.69 90.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.336 177.227 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.696 HD12 ' HB3' ' A' ' 18' ' ' LEU . 4.2 pp -74.86 -26.57 59.77 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.194 177.102 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.538 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 58.4 mt -62.66 -46.11 89.69 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.325 179.74 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.473 ' HG2' ' O ' ' A' ' 21' ' ' LYS . 26.0 ptt180 -62.69 2.89 0.25 Allowed 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 179.19 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.509 ' HD3' ' HA ' ' A' ' 22' ' ' LEU . 24.2 mtpp -102.5 -17.41 15.78 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 122.747 0.419 . . . . 0.0 110.054 176.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 43.9 t -69.74 102.19 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.07 -174.314 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 33.9 pt -76.5 -26.09 16.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.208 -171.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 -146.14 155.33 42.66 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.015 0.436 . . . . 0.0 111.02 -178.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 40.6 t -120.18 115.43 47.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 172.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -105.26 113.83 27.64 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-O 121.557 0.694 . . . . 0.0 110.417 -175.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 41.4 tp -80.21 109.82 15.05 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.585 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.625 ' NE2' ' HA ' ' A' ' 9' ' ' CYS . 42.4 tt0 -72.12 103.88 3.44 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 171.552 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -74.28 152.05 39.75 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.941 -179.399 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.434 ' HB3' ' HB2' ' A' ' 41' ' ' GLN . . . -73.94 6.65 3.16 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 -173.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -164.65 -28.9 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.076 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -63.87 -55.17 26.14 Favored Glycine 0 C--N 1.331 0.256 0 CA-C-N 115.969 -0.559 . . . . 0.0 113.038 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -91.29 -39.05 12.27 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.36 0.6 . . . . 0.0 109.995 -177.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 35.3 t -168.84 172.93 7.42 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 9.8 t60 -88.25 76.87 8.34 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 118.957 0.799 . . . . 0.0 109.878 179.193 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.601 ' HB3' ' NE2' ' A' ' 32' ' ' GLN . 1.2 tm? -179.79 135.37 0.11 Allowed 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 106.881 -1.526 . . . . 0.0 106.881 -176.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.444 ' N ' HD11 ' A' ' 40' ' ' LEU . 41.8 tt0 -107.07 122.48 46.55 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.399 -0.521 . . . . 0.0 110.975 -178.252 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.561 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -153.39 151.14 29.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.002 0.429 . . . . 0.0 111.238 179.336 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.906 ' HB3' ' HG ' ' A' ' 61' ' ' LEU . 1.3 m-85 -102.3 105.12 15.7 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 173.019 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.426 HG12 ' O ' ' A' ' 52' ' ' ILE . 91.4 t -104.29 131.15 53.82 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.285 -171.457 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.468 HD11 HD11 ' A' ' 18' ' ' LEU . 67.7 mt -91.86 126.18 36.84 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.469 -178.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 11.5 t60 -107.75 109.49 21.08 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.923 -173.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 5.5 mp -98.54 165.98 11.57 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 174.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.46 -11.75 58.61 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.803 0.335 . . . . 0.0 111.684 -176.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -102.17 -47.14 4.62 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.971 0.415 . . . . 0.0 110.073 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.472 HH12 HD12 ' A' ' 52' ' ' ILE . 0.2 OUTLIER -163.79 173.21 13.08 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.02 -174.585 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 48.4 m -113.44 158.49 20.6 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.08 -178.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.472 HD12 HH12 ' A' ' 50' ' ' ARG . 62.5 mt -126.92 142.17 44.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.422 176.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 31.4 m -101.1 121.26 41.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.14 0.495 . . . . 0.0 110.673 -171.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.699 HD12 ' HG ' ' A' ' 60' ' ' SER . 37.5 mt -127.52 142.56 43.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.396 -175.193 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.511 ' O ' ' HB2' ' A' ' 58' ' ' ASN . 49.0 t-80 -63.22 130.81 94.48 Favored Pre-proline 0 C--N 1.33 -0.243 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 173.59 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.561 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 95.4 Cg_exo -44.87 -55.37 3.41 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 123.055 2.503 . . . . 0.0 112.867 -177.305 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 89.6 mm-40 -85.84 80.59 8.87 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.314 0.578 . . . . 0.0 109.958 174.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.511 ' HB2' ' O ' ' A' ' 55' ' ' HIS . 2.0 t30 -136.05 134.38 20.29 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.068 175.46 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo -58.42 -6.09 2.81 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 123.423 2.748 . . . . 0.0 112.996 -177.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.78 ' HB3' ' HA ' ' A' ' 17' ' ' PRO . 13.3 p -85.72 -43.71 13.14 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.852 178.054 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.906 ' HG ' ' HB3' ' A' ' 43' ' ' PHE . 0.2 OUTLIER -80.1 -41.44 25.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.009 0.433 . . . . 0.0 110.695 -174.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 12.2 m -70.59 -47.55 59.65 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.607 0.718 . . . . 0.0 110.433 -176.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -59.52 -28.6 67.21 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.111 -0.949 . . . . 0.0 109.218 174.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.538 ' CZ3' ' HB3' ' A' ' 23' ' ' LEU . 9.2 t-105 -66.08 -40.18 90.62 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.605 177.5 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -53.13 -39.62 63.63 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.532 0.206 . . . . 0.0 111.007 178.349 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -75.89 -46.33 30.66 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.329 0.585 . . . . 0.0 110.769 177.116 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 11.1 m170 -64.19 -41.89 96.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.702 -177.072 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.532 ' HB3' ' CE2' ' A' ' 64' ' ' TRP . 4.3 pt20 -71.1 -24.84 62.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.648 0.261 . . . . 0.0 110.618 -179.166 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -61.45 -30.49 70.62 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.641 176.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 14.5 ptt180 -113.49 14.9 19.13 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 116.141 -0.482 . . . . 0.0 112.023 179.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.465 ' HD3' ' HB3' ' A' ' 24' ' ' ARG . 62.1 mttm -127.62 -159.6 0.95 Allowed 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 172.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.4 HD13 ' HZ2' ' A' ' 64' ' ' TRP . 6.8 mp . . . . . 0 C--N 1.346 0.416 0 CA-C-O 121.015 0.436 . . . . 0.0 111.87 -178.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 15.3 t . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 122.009 0.909 . . . . 0.0 108.632 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 15.8 t -91.42 138.23 31.74 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.33 -1.304 . . . . 0.0 110.402 -178.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.6 p -117.76 -32.75 4.73 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 177.514 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -87.77 98.5 11.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.709 0.766 . . . . 0.0 111.236 177.442 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.59 HD23 ' SG ' ' A' ' 53' ' ' CYS . 15.3 mt -86.12 141.89 29.07 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.789 -175.816 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.44 ' CE2' ' HB2' ' A' ' 16' ' ' LYS . 50.1 t80 -68.87 -21.54 64.26 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.629 -174.675 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 27.2 ptt180 45.39 31.78 0.92 Allowed 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 113.635 0.976 . . . . 0.0 113.635 174.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.44 ' HB2' ' CE2' ' A' ' 14' ' ' TYR . 59.7 mttp -142.85 149.62 50.39 Favored Pre-proline 0 C--N 1.328 -0.343 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 176.766 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.53 ' HA ' ' HB2' ' A' ' 60' ' ' SER . 9.9 Cg_exo -71.94 136.83 28.23 Favored 'Trans proline' 0 C--O 1.234 0.305 0 C-N-CA 122.97 2.447 . . . . 0.0 111.817 176.274 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.78 ' HB3' HD12 ' A' ' 22' ' ' LEU . 68.5 mt -90.08 162.22 15.43 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.761 -178.081 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.53 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 46.2 m -93.8 145.09 24.85 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.073 -178.191 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.498 ' OD1' ' HE3' ' A' ' 71' ' ' LYS . 20.8 t70 -59.83 -36.93 77.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.727 -174.619 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.575 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 60.0 mttp -60.01 -45.8 91.57 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.356 -179.794 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.78 HD12 ' HB3' ' A' ' 18' ' ' LEU . 4.4 pp -74.39 -27.96 60.88 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.457 -0.497 . . . . 0.0 110.576 176.582 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.465 ' HA ' HG23 ' A' ' 26' ' ' VAL . 67.7 mt -66.32 -37.9 86.46 Favored 'General case' 0 C--O 1.225 -0.237 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.312 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.665 ' HB3' ' HD3' ' A' ' 71' ' ' LYS . 10.9 ptt180 -67.04 4.19 0.94 Allowed 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 121.114 0.483 . . . . 0.0 111.676 -179.041 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.479 ' HE2' ' HA ' ' A' ' 22' ' ' LEU . 34.6 mtmt -117.41 2.15 12.43 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.318 177.8 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.59 HG21 ' HG ' ' A' ' 47' ' ' LEU . 61.8 t -84.08 95.5 3.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 178.679 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 36.9 pt -77.26 -19.92 14.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.152 -170.104 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.722 ' HB2' ' HB3' ' A' ' 46' ' ' HIS . 24.4 mm-40 -134.33 135.81 43.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.0 0.429 . . . . 0.0 111.563 -178.145 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 42.5 t -116.65 115.17 48.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 172.149 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -127.3 141.62 51.66 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.494 0.664 . . . . 0.0 111.992 -173.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 53.8 tp -94.88 125.74 39.75 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.602 -179.349 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.4 ' HB3' ' HB2' ' A' ' 42' ' ' ALA . 42.8 tt0 -90.87 113.41 25.59 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.314 173.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -79.65 138.91 37.53 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.955 -175.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.645 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . . . -75.37 -4.48 39.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.489 -178.463 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -133.9 -15.51 2.33 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.853 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -75.98 -87.9 0.29 Allowed Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.827 -176.375 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -96.7 2.33 51.95 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 122.743 -0.269 . . . . 0.0 111.44 -177.205 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.7 t -159.17 178.87 9.55 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 -175.246 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 11.3 p-80 -108.01 13.21 26.3 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.078 0.466 . . . . 0.0 110.37 177.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -135.84 131.37 35.27 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 -176.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.645 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 36.1 tt0 -86.69 125.98 34.24 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.569 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -143.54 161.97 37.09 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.122 0.487 . . . . 0.0 111.04 -178.111 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.54 ' CB ' ' HG ' ' A' ' 61' ' ' LEU . 59.7 m-85 -118.22 105.92 12.29 Favored 'General case' 0 C--N 1.314 -0.949 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 173.761 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 26.0 t -102.87 129.37 54.64 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.969 0 CA-C-O 121.311 0.577 . . . . 0.0 110.698 -172.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.544 HD13 HD13 ' A' ' 18' ' ' LEU . 72.8 mt -101.78 121.22 41.67 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.915 -179.26 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.722 ' HB3' ' HB2' ' A' ' 28' ' ' GLN . 64.7 t60 -108.98 110.07 21.27 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.282 -170.641 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.59 ' HG ' HG21 ' A' ' 26' ' ' VAL . 4.6 mp -93.87 166.69 12.06 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.19 177.597 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -77.48 -5.19 49.08 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.184 0.516 . . . . 0.0 110.838 -176.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -121.96 -11.1 8.56 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.88 -177.481 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -175.36 177.98 1.75 Allowed 'General case' 0 N--CA 1.463 0.178 0 C-N-CA 121.204 -0.199 . . . . 0.0 110.9 -170.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 17.9 m -140.01 136.95 34.24 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 177.397 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 64.3 mt -116.97 138.79 46.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 179.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.59 ' SG ' HD23 ' A' ' 13' ' ' LEU . 35.7 t -102.49 120.59 40.78 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.016 0.436 . . . . 0.0 110.407 -174.522 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.436 ' HB ' ' O ' ' A' ' 43' ' ' PHE . 1.6 mt -115.03 143.42 24.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.542 0.687 . . . . 0.0 111.475 -176.538 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.51 ' O ' ' HB2' ' A' ' 58' ' ' ASN . 40.8 t-80 -83.58 139.78 41.15 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.999 179.255 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.569 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 18.3 Cg_endo -60.56 153.04 64.09 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.252 1.968 . . . . 0.0 111.459 176.007 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.462 ' HB2' ' O ' ' A' ' 56' ' ' PRO . 79.0 mt-30 71.17 9.26 6.62 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 122.677 0.391 . . . . 0.0 111.612 -176.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.51 ' HB2' ' O ' ' A' ' 55' ' ' HIS . 3.6 m120 -87.74 126.1 62.75 Favored Pre-proline 0 C--O 1.234 0.274 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 172.353 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_exo -52.34 -35.3 64.1 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 123.305 2.67 . . . . 0.0 112.822 -176.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.53 ' HB2' ' HA ' ' A' ' 17' ' ' PRO . 31.8 t -58.63 -28.92 66.11 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.272 -0.422 . . . . 0.0 112.068 -176.234 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.54 ' HG ' ' CB ' ' A' ' 43' ' ' PHE . 0.6 OUTLIER -80.63 -47.17 14.5 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.123 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 32.8 t -62.91 -45.94 90.13 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.103 0.478 . . . . 0.0 110.303 -179.086 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -64.45 -27.15 68.79 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.22 177.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.448 ' CZ3' ' HB3' ' A' ' 23' ' ' LEU . 11.4 t-105 -71.32 -33.38 69.6 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.696 177.563 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -60.26 -36.37 77.64 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.255 -0.578 . . . . 0.0 110.381 174.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.419 ' O ' ' HB3' ' A' ' 69' ' ' GLU . 75.3 mm-40 -73.52 -43.47 59.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.301 175.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.562 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 10.3 m170 -71.19 -37.54 72.13 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.353 -177.731 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.416 ' HG2' HD23 ' A' ' 72' ' ' LEU . 0.5 OUTLIER -60.07 -41.14 91.78 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.102 0.477 . . . . 0.0 109.928 175.831 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.419 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 4.6 tp10 -53.66 -35.15 60.71 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.19 -0.914 . . . . 0.0 110.618 176.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.3 ptp180 -113.63 31.5 6.46 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.458 -176.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.665 ' HD3' ' HB3' ' A' ' 24' ' ' ARG . 7.3 ttmm -154.92 -163.31 1.54 Allowed 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.701 -0.227 . . . . 0.0 110.666 -176.12 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.495 HD21 ' O ' ' A' ' 26' ' ' VAL . 6.8 mp . . . . . 0 C--N 1.344 0.343 0 N-CA-C 113.991 1.108 . . . . 0.0 113.991 179.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 82.8 m . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.465 ' HB2' HE22 ' A' ' 32' ' ' GLN . 97.4 m -110.04 118.77 37.32 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.97 -175.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.8 p -105.07 1.65 28.71 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.64 0.733 . . . . 0.0 109.549 168.427 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -144.36 158.89 43.51 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.586 -178.611 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.425 HD11 ' HB3' ' A' ' 55' ' ' HIS . 87.1 mt -137.02 153.42 50.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.194 -178.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 56.9 t80 -81.43 -37.86 27.39 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 177.284 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 91.0 mtt180 74.39 -40.39 0.45 Allowed 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.811 0.844 . . . . 0.0 112.507 173.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.2 mptp? -79.23 162.33 64.46 Favored Pre-proline 0 C--N 1.324 -0.512 0 C-N-CA 122.349 0.26 . . . . 0.0 111.037 178.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -74.83 158.82 42.59 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.494 2.129 . . . . 0.0 112.498 176.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.758 ' HB3' HD13 ' A' ' 22' ' ' LEU . 89.8 mt -103.42 146.1 28.99 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.152 -177.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.655 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 13.6 m -76.14 143.79 40.99 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.479 178.413 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.495 ' HA ' HD11 ' A' ' 23' ' ' LEU . 12.4 t70 -62.65 -28.9 70.24 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 120.83 0.348 . . . . 0.0 110.948 -177.492 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.526 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 57.7 mtpt -57.03 -46.74 82.15 Favored 'General case' 0 C--O 1.227 -0.122 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.214 176.699 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.758 HD13 ' HB3' ' A' ' 18' ' ' LEU . 4.4 pp -75.01 -27.67 60.21 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.611 -0.435 . . . . 0.0 110.291 178.562 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.642 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 77.6 mt -65.02 -40.01 94.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.023 -178.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.561 ' HB3' ' HD3' ' A' ' 71' ' ' LYS . 19.3 ptp180 -72.05 3.9 4.0 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.339 0.59 . . . . 0.0 111.079 179.431 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 54.8 mtmt -116.18 6.55 13.93 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.95 178.09 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.732 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 47.1 t -76.54 152.71 5.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 175.08 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.504 HD11 ' HA ' ' A' ' 48' ' ' ALA . 30.1 pt -123.58 -31.75 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 C-N-CA 120.866 -0.334 . . . . 0.0 111.321 179.325 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.428 ' HB2' ' HB3' ' A' ' 46' ' ' HIS . 84.4 mm-40 -139.13 152.63 47.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.172 0.51 . . . . 0.0 111.605 -175.719 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 86.8 t -123.96 134.52 66.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 174.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.509 ' HG3' ' HB ' ' A' ' 44' ' ' VAL . 1.5 pt-20 -136.0 141.74 44.4 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.268 0.556 . . . . 0.0 112.03 -174.424 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 50.7 tp -107.66 115.67 30.56 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.94 176.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.465 HE22 ' HB2' ' A' ' 10' ' ' CYS . 8.5 tt0 -73.56 104.55 4.56 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 176.436 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -74.21 123.95 25.46 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 175.265 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.426 ' HB3' ' HB2' ' A' ' 41' ' ' GLN . . . -70.88 30.05 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 114.434 1.272 . . . . 0.0 114.434 -163.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -177.2 -39.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.602 0.239 . . . . 0.0 111.278 -178.428 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -59.63 -29.69 67.42 Favored Glycine 0 C--O 1.235 0.163 0 CA-C-N 116.078 -0.51 . . . . 0.0 113.272 -177.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -127.16 -51.09 1.42 Allowed 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 177.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 6.5 m -149.51 161.89 41.23 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.151 176.341 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.48 ' O ' ' HB3' ' A' ' 40' ' ' LEU . 11.5 p-80 -72.88 165.42 24.96 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 110.473 -0.195 . . . . 0.0 110.473 179.597 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.48 ' HB3' ' O ' ' A' ' 39' ' ' HIS . 55.9 tp 73.74 132.5 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.448 0 O-C-N 123.972 0.795 . . . . 0.0 110.705 -176.854 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.426 ' HB2' ' HB3' ' A' ' 34' ' ' ALA . 53.3 tt0 -100.55 134.51 43.4 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.603 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.56 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -155.04 148.34 24.99 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.995 0.426 . . . . 0.0 112.112 -178.252 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -97.73 107.58 20.1 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.403 -0.817 . . . . 0.0 108.914 172.014 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.509 ' HB ' ' HG3' ' A' ' 30' ' ' GLU . 48.6 t -106.34 134.7 47.17 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.052 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.95 -172.436 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.492 HD12 HD12 ' A' ' 18' ' ' LEU . 67.7 mt -105.6 119.65 39.66 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.842 -178.244 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.428 ' HB3' ' HB2' ' A' ' 28' ' ' GLN . 1.7 t60 -104.16 107.09 17.83 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.586 -172.167 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.732 ' HA ' ' HA ' ' A' ' 26' ' ' VAL . 6.9 mp -87.53 167.75 13.67 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.035 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.504 ' HA ' HD11 ' A' ' 27' ' ' ILE . . . -62.22 -26.42 68.36 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.161 0.505 . . . . 0.0 111.295 -177.352 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.94 9.96 3.58 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.412 -178.273 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.532 ' HB2' ' HB2' ' A' ' 47' ' ' LEU . 65.9 mtt180 -146.5 170.22 17.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.041 0.448 . . . . 0.0 111.436 -175.661 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 41.8 m -151.92 122.79 7.52 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.321 173.023 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.592 HG22 HD21 ' A' ' 18' ' ' LEU . 3.7 mp -117.61 130.62 72.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 179.633 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.422 ' SG ' HG22 ' A' ' 44' ' ' VAL . 30.1 t -102.77 121.52 42.64 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.289 0.566 . . . . 0.0 110.237 -177.634 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 28.3 mt -121.37 136.94 56.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.34 -177.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.425 ' HB3' HD11 ' A' ' 13' ' ' LEU . 7.3 p80 -76.72 151.12 82.34 Favored Pre-proline 0 C--N 1.327 -0.405 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 177.815 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.56 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 31.9 Cg_exo -57.64 152.67 47.15 Favored 'Trans proline' 0 CA--C 1.528 0.212 0 C-N-CA 122.638 2.225 . . . . 0.0 112.217 -179.39 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 64.88 70.29 0.48 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.849 0.833 . . . . 0.0 110.24 -175.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -139.26 132.95 15.86 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.624 179.355 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.589 ' O ' ' HG3' ' A' ' 63' ' ' GLN . 5.4 Cg_endo -47.95 -52.12 8.76 Favored 'Trans proline' 0 N--CA 1.462 -0.344 0 C-N-CA 123.342 2.695 . . . . 0.0 112.547 -179.789 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 12.8 t -62.91 -39.35 94.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.751 0.31 . . . . 0.0 110.973 -175.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 61' ' ' LEU . 0.6 OUTLIER -66.17 -46.68 76.56 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.844 -179.55 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 60.8 m -62.54 -45.07 94.64 Favored 'General case' 0 C--O 1.243 0.731 0 CA-C-O 121.341 0.591 . . . . 0.0 111.026 177.26 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.589 ' HG3' ' O ' ' A' ' 59' ' ' PRO . 45.3 mt-30 -56.99 -39.52 74.83 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.095 176.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.642 ' CZ3' ' HB3' ' A' ' 23' ' ' LEU . 22.8 t-105 -68.0 -31.36 71.0 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.241 -177.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.442 ' HA ' HE21 ' A' ' 68' ' ' GLN . 10.0 m-30 -52.99 -54.39 35.9 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-O 121.189 0.519 . . . . 0.0 110.208 175.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.4 ' O ' ' HG2' ' A' ' 70' ' ' ARG . 37.8 mt-10 -74.8 -35.28 62.49 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.279 -179.446 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.408 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 7.6 m170 -68.35 -41.67 80.35 Favored 'General case' 0 C--O 1.223 -0.308 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.682 -178.371 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.442 HE21 ' HA ' ' A' ' 65' ' ' PHE . 29.7 pt20 -64.64 -33.21 75.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.93 0.395 . . . . 0.0 110.449 -179.158 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -64.07 -28.91 70.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.352 179.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.4 ' HG2' ' O ' ' A' ' 66' ' ' GLU . 15.9 ptm180 -114.2 25.71 10.88 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.655 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.561 ' HD3' ' HB3' ' A' ' 24' ' ' ARG . 10.0 ttmm -145.74 -171.31 3.66 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 -178.791 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.427 ' H ' ' HG2' ' A' ' 71' ' ' LYS . 6.7 mp . . . . . 0 N--CA 1.472 0.638 0 N-CA-C 112.608 0.595 . . . . 0.0 112.608 -176.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 36.4 t . . . . . 0 N--CA 1.437 -1.096 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 63.7 m -88.42 123.33 32.86 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 114.15 -1.386 . . . . 0.0 111.627 -171.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 15.7 p -99.43 10.76 40.78 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.9 0.857 . . . . 0.0 108.69 169.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.6 126.66 50.86 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 114.605 -1.179 . . . . 0.0 109.142 -178.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.457 HD13 ' HB2' ' A' ' 55' ' ' HIS . 87.0 mt -111.73 110.84 21.42 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 120.894 0.378 . . . . 0.0 110.678 179.186 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.66 ' CE2' ' HB2' ' A' ' 16' ' ' LYS . 27.9 t80 -65.95 -54.0 31.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.126 -178.541 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 50.0 mtp180 71.86 -13.45 0.58 Allowed 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 171.286 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.66 ' HB2' ' CE2' ' A' ' 14' ' ' TYR . 46.2 mmtm -72.33 145.91 88.63 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-O 120.529 0.204 . . . . 0.0 110.529 179.177 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.509 ' HA ' ' HB3' ' A' ' 60' ' ' SER . 19.4 Cg_exo -65.92 114.0 2.8 Favored 'Trans proline' 0 N--CA 1.461 -0.396 0 C-N-CA 122.606 2.204 . . . . 0.0 111.127 175.102 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.755 HD11 HD13 ' A' ' 45' ' ' LEU . 71.7 mt -75.56 146.34 40.53 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.085 0.469 . . . . 0.0 110.967 -178.254 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.636 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 16.6 m -78.11 138.51 38.77 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.967 -178.118 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.618 ' OD1' ' HE3' ' A' ' 71' ' ' LYS . 29.0 t70 -59.05 -33.07 70.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.509 -176.271 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.407 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 97.2 mttt -58.87 -47.09 86.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.157 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.636 ' HG ' ' O ' ' A' ' 19' ' ' SER . 4.5 pp -74.84 -27.95 60.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.691 0.282 . . . . 0.0 110.548 177.614 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' A' ' 19' ' ' SER . 60.9 mt -63.46 -48.04 79.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.771 -177.155 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.633 ' HB3' ' HD3' ' A' ' 71' ' ' LYS . 16.3 ptm180 -55.14 -21.24 12.55 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 120.927 0.394 . . . . 0.0 111.924 179.588 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.401 ' HE3' ' HA ' ' A' ' 22' ' ' LEU . 48.8 mtmt -93.64 10.98 30.52 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.113 0.482 . . . . 0.0 111.582 -178.436 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.615 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 6.4 t -74.17 129.67 36.36 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.869 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 171.682 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.574 HD13 ' HA ' ' A' ' 48' ' ' ALA . 19.9 pt -94.34 -30.68 4.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.242 -175.294 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 72.8 mm-40 -152.94 157.02 40.0 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.25 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 40.4 t -116.59 120.07 63.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 174.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.411 ' HG3' ' HB ' ' A' ' 44' ' ' VAL . 3.4 pt-20 -107.42 131.94 53.73 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.231 0.538 . . . . 0.0 110.962 -175.345 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 55.0 tp -102.18 116.24 32.25 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.552 -178.291 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -87.38 110.88 20.57 Favored 'General case' 0 C--N 1.314 -0.975 0 N-CA-C 108.183 -1.044 . . . . 0.0 108.183 173.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.485 ' OE1' ' HA3' ' A' ' 36' ' ' GLY . 80.1 mt-10 -67.31 164.34 18.66 Favored 'General case' 0 C--N 1.318 -0.766 0 C-N-CA 121.061 -0.256 . . . . 0.0 110.355 -177.513 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.31 -11.38 60.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.809 0.337 . . . . 0.0 111.55 -172.162 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.494 ' HA ' ' HA ' ' A' ' 39' ' ' HIS . 14.9 t70 -175.62 25.08 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.25 -1.018 . . . . 0.0 108.25 -177.245 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.485 ' HA3' ' OE1' ' A' ' 33' ' ' GLU . . . -117.18 95.05 0.65 Allowed Glycine 0 N--CA 1.446 -0.689 0 CA-C-N 114.978 -1.01 . . . . 0.0 111.156 -177.53 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 36.7 t70 99.95 -38.35 0.01 OUTLIER 'General case' 0 CA--C 1.506 -0.747 0 C-N-CA 125.815 1.646 . . . . 0.0 107.022 -175.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 74.1 m -153.61 158.32 40.97 Favored 'General case' 0 N--CA 1.442 -0.862 0 CA-C-N 113.687 -1.597 . . . . 0.0 109.46 173.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.494 ' HA ' ' HA ' ' A' ' 35' ' ' ASP . 13.1 p-80 -79.06 164.01 24.68 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 171.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.404 ' HB3' ' O ' ' A' ' 39' ' ' HIS . 2.1 tm? 75.03 105.31 0.07 Allowed 'General case' 0 N--CA 1.467 0.382 0 O-C-N 123.951 0.782 . . . . 0.0 110.17 179.134 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -75.54 132.61 40.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.69 -178.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.545 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -144.63 137.26 26.55 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.248 -178.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.664 ' HB3' ' HG ' ' A' ' 61' ' ' LEU . 4.8 m-85 -94.02 104.19 16.24 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 171.218 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.431 HG23 ' HA ' ' A' ' 53' ' ' CYS . 60.6 t -106.68 128.12 61.61 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-O 121.278 0.561 . . . . 0.0 111.065 -172.272 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.755 HD13 HD11 ' A' ' 18' ' ' LEU . 66.8 mt -95.1 123.57 38.67 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.291 -177.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -103.34 99.25 9.09 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.575 -173.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.615 ' HA ' ' HA ' ' A' ' 26' ' ' VAL . 6.8 mp -76.48 164.87 25.55 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 173.222 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.574 ' HA ' HD13 ' A' ' 27' ' ' ILE . . . -64.03 -14.21 52.55 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.794 0.331 . . . . 0.0 111.761 -178.143 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -108.26 -34.74 6.73 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.555 -176.434 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 50' ' ' ARG . 0.0 OUTLIER -166.98 165.58 15.79 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.72 0.295 . . . . 0.0 111.517 -176.942 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 67.4 m -98.25 145.32 26.76 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 178.435 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.501 HG23 HD23 ' A' ' 18' ' ' LEU . 67.6 mt -117.52 125.97 74.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 173.303 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.431 ' HA ' HG23 ' A' ' 44' ' ' VAL . 6.2 m -100.64 120.96 40.83 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.311 0.577 . . . . 0.0 110.376 -170.034 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.7 HD12 ' HG ' ' A' ' 60' ' ' SER . 59.3 mt -124.25 139.38 50.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.396 -173.514 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.485 ' O ' ' HB2' ' A' ' 58' ' ' ASN . 50.6 t-80 -74.19 135.94 76.12 Favored Pre-proline 0 C--N 1.325 -0.46 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 173.469 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.545 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 68.5 Cg_exo -53.65 168.16 0.8 Allowed 'Trans proline' 0 CA--C 1.531 0.326 0 C-N-CA 122.937 2.424 . . . . 0.0 112.602 177.034 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.414 ' HB2' ' O ' ' A' ' 56' ' ' PRO . 31.1 mm-40 69.81 -1.13 2.43 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 122.851 0.461 . . . . 0.0 111.711 -177.427 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.485 ' HB2' ' O ' ' A' ' 55' ' ' HIS . 3.6 t30 -80.31 127.34 76.62 Favored Pre-proline 0 C--N 1.329 -0.323 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_endo -49.81 -33.61 33.38 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 123.712 2.941 . . . . 0.0 112.882 -176.086 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.7 ' HG ' HD12 ' A' ' 54' ' ' ILE . 49.4 p -57.85 -48.48 79.66 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.453 -179.075 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.664 ' HG ' ' HB3' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -70.2 -41.65 73.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.028 -176.938 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 35.6 t -60.99 -48.97 79.38 Favored 'General case' 0 C--O 1.24 0.554 0 CA-C-O 121.231 0.539 . . . . 0.0 110.667 179.405 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -63.93 -30.81 71.86 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.24 177.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.481 ' CZ3' ' HB3' ' A' ' 23' ' ' LEU . 18.6 t-105 -70.42 -32.88 70.67 Favored 'General case' 0 C--O 1.219 -0.516 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.932 178.239 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.451 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 7.1 m-85 -54.85 -45.37 74.53 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.13 0.491 . . . . 0.0 110.425 174.593 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -71.44 -46.08 60.97 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.578 0.704 . . . . 0.0 111.064 177.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -67.7 -32.88 73.82 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.923 -176.204 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.451 ' HG2' ' O ' ' A' ' 65' ' ' PHE . 2.8 pt20 -70.43 -29.33 65.89 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 179.104 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -63.57 -27.26 69.13 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.063 0.458 . . . . 0.0 110.22 177.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -108.42 15.09 24.23 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 179.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.633 ' HD3' ' HB3' ' A' ' 24' ' ' ARG . 54.4 mttm -136.4 -159.9 1.0 Allowed 'General case' 0 N--CA 1.467 0.38 0 O-C-N 122.37 -0.206 . . . . 0.0 110.838 177.415 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.472 HD12 ' HZ2' ' A' ' 64' ' ' TRP . 7.3 mp . . . . . 0 C--N 1.343 0.298 0 O-C-N 123.522 0.514 . . . . 0.0 111.645 -174.303 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.486 ' HA ' ' OE1' ' A' ' 32' ' ' GLN . 38.5 t . . . . . 0 N--CA 1.448 -0.541 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.7 t -112.69 118.18 34.31 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.916 -173.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.5 t -113.53 11.51 18.36 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.091 176.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -163.58 119.59 1.7 Allowed 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.347 179.199 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.468 HD22 ' SG ' ' A' ' 53' ' ' CYS . 88.6 mt -86.47 140.43 29.96 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.486 -179.443 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.406 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 51.9 t80 -70.15 -38.45 75.48 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 175.309 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.406 ' HB2' ' O ' ' A' ' 14' ' ' TYR . 44.5 mtm180 74.25 -51.21 0.69 Allowed 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 115.319 -0.855 . . . . 0.0 112.878 174.002 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -67.99 148.72 98.38 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-O 120.699 0.285 . . . . 0.0 111.228 179.077 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -63.9 125.87 16.21 Favored 'Trans proline' 0 C--O 1.235 0.361 0 C-N-CA 122.684 2.256 . . . . 0.0 111.727 175.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.714 HD13 HD13 ' A' ' 45' ' ' LEU . 56.4 mt -65.26 135.21 55.1 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.071 0.462 . . . . 0.0 110.706 179.527 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.2 m -68.81 150.64 47.61 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.099 -177.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.427 ' HA ' ' HB2' ' A' ' 23' ' ' LEU . 7.9 t70 -56.49 -30.11 62.58 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.256 0.55 . . . . 0.0 110.49 -178.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.451 ' O ' ' HE2' ' A' ' 25' ' ' LYS . 67.4 mmtt -55.1 -46.61 75.54 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.088 -0.96 . . . . 0.0 110.653 178.027 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.94 -38.29 66.86 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 -179.724 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.427 ' HB2' ' HA ' ' A' ' 20' ' ' ASP . 5.4 mp -57.67 -45.82 85.07 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.747 -1.115 . . . . 0.0 112.176 -174.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.1 ptp180 -70.28 -4.97 24.47 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.192 0.52 . . . . 0.0 111.328 -179.318 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.451 ' HE2' ' O ' ' A' ' 21' ' ' LYS . 53.7 mtmt -111.84 2.15 16.92 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.945 -178.459 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.721 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 45.6 t -76.76 150.76 5.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 108.693 -0.855 . . . . 0.0 108.693 174.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 14.0 pt -127.96 -19.68 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 C-N-CA 121.015 -0.274 . . . . 0.0 111.64 179.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.646 ' HB2' ' HB3' ' A' ' 46' ' ' HIS . 58.6 mm-40 -148.36 155.09 40.82 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.043 0.449 . . . . 0.0 112.0 -177.63 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 45.7 t -114.16 118.88 59.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 108.72 -0.845 . . . . 0.0 108.72 172.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.439 ' CD ' ' HB2' ' A' ' 46' ' ' HIS . 3.5 mt-10 -113.2 155.17 25.5 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.95 0.405 . . . . 0.0 110.244 -174.099 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 62.0 tp -128.51 122.08 30.34 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.584 -179.087 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.508 ' O ' ' HA ' ' A' ' 41' ' ' GLN . 7.9 tt0 -76.79 104.02 7.06 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 173.382 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.435 ' C ' ' H ' ' A' ' 35' ' ' ASP . 29.8 mt-10 -69.7 133.32 47.39 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 176.337 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.552 ' HB3' ' HB2' ' A' ' 41' ' ' GLN . . . -72.84 29.96 0.06 Allowed 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 113.064 0.764 . . . . 0.0 113.064 -169.112 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.435 ' H ' ' C ' ' A' ' 33' ' ' GLU . 34.0 t70 -177.82 -29.19 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.052 178.028 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -60.42 -28.58 67.53 Favored Glycine 0 C--N 1.332 0.359 0 CA-C-N 115.595 -0.73 . . . . 0.0 112.87 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -126.95 -65.03 0.98 Allowed 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 176.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 52.5 m -125.38 -173.87 2.92 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.175 177.392 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 73.3 m-70 -78.32 -24.5 46.59 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 -167.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.414 ' O ' ' HA ' ' A' ' 34' ' ' ALA . 1.1 pt? -110.04 172.7 6.71 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.446 -0.501 . . . . 0.0 111.623 -175.07 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.552 ' HB2' ' HB3' ' A' ' 34' ' ' ALA . 7.3 tt0 -114.38 141.75 47.23 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.326 179.02 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.714 ' HA ' ' HG3' ' A' ' 56' ' ' PRO . . . -156.7 150.05 24.31 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.744 178.479 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.473 ' CB ' ' HG ' ' A' ' 61' ' ' LEU . 10.0 m-85 -93.23 118.67 31.52 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 173.461 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 61.3 t -117.83 129.86 73.59 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.138 -172.477 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.714 HD13 HD13 ' A' ' 18' ' ' LEU . 51.2 mt -98.39 127.35 44.29 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.078 0.466 . . . . 0.0 111.072 -178.318 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.646 ' HB3' ' HB2' ' A' ' 28' ' ' GLN . 4.7 t60 -98.27 106.53 18.83 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.868 -177.209 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.721 ' HA ' ' HA ' ' A' ' 26' ' ' VAL . 6.6 mp -92.95 170.6 9.54 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 178.268 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.94 7.23 0.97 Allowed 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 -175.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -121.2 -52.99 2.05 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 175.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.98 178.27 9.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.296 -0.866 . . . . 0.0 110.376 -177.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 61.5 m -98.11 151.6 20.22 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.036 0.446 . . . . 0.0 111.1 -179.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 63.7 mt -124.17 144.96 32.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 176.395 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.468 ' SG ' HD22 ' A' ' 13' ' ' LEU . 40.8 t -101.91 129.69 48.23 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.277 0.56 . . . . 0.0 111.484 -174.519 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -120.93 143.04 34.43 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.646 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.742 -178.194 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 42.8 t-80 -56.9 122.83 55.34 Favored Pre-proline 0 C--O 1.224 -0.278 0 CA-C-N 115.668 -0.697 . . . . 0.0 109.457 173.439 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.714 ' HG3' ' HA ' ' A' ' 42' ' ' ALA . 87.2 Cg_exo -44.02 -52.88 5.13 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 123.072 2.514 . . . . 0.0 113.49 -173.684 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -86.94 75.57 9.54 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.356 0.598 . . . . 0.0 110.242 174.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 47.2 t-20 -128.59 125.51 23.14 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.36 177.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -48.57 -36.02 30.67 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 123.07 2.513 . . . . 0.0 112.749 177.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.534 ' HA ' ' OE1' ' A' ' 63' ' ' GLN . 5.7 m -62.68 -32.71 73.84 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.449 -177.246 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.473 ' HG ' ' CB ' ' A' ' 43' ' ' PHE . 0.5 OUTLIER -77.31 -47.39 20.14 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 -178.867 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.0 m -61.63 -49.86 74.88 Favored 'General case' 0 C--O 1.246 0.92 0 CA-C-O 121.52 0.676 . . . . 0.0 110.678 178.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.534 ' OE1' ' HA ' ' A' ' 60' ' ' SER . 2.9 pt20 -63.59 -27.63 69.38 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.772 179.218 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 17.8 t-105 -64.3 -36.76 85.14 Favored 'General case' 0 C--O 1.219 -0.55 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.619 178.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -56.68 -41.66 77.7 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.49 -0.484 . . . . 0.0 109.96 175.311 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.424 ' O ' ' HB3' ' A' ' 69' ' ' GLU . 6.5 mm-40 -71.51 -47.82 52.87 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-O 121.777 0.798 . . . . 0.0 111.162 177.434 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.416 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 13.7 m170 -71.97 -30.47 65.31 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.312 -173.432 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -68.09 -37.72 81.53 Favored 'General case' 0 CA--C 1.517 -0.303 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 175.152 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.424 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 13.7 tp10 -52.41 -35.52 52.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.092 178.196 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' ' 70' ' ' ARG . 15.1 ptt180 -114.19 32.11 6.13 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 120.571 -0.452 . . . . 0.0 111.881 176.401 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.496 ' HG2' ' H ' ' A' ' 72' ' ' LEU . 25.9 ttmt -142.95 -167.93 2.66 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 174.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.496 ' H ' ' HG2' ' A' ' 71' ' ' LYS . 9.6 mp . . . . . 0 N--CA 1.467 0.392 0 CA-C-O 121.307 0.575 . . . . 0.0 111.242 -172.254 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.405 ' HA ' ' HB2' ' A' ' 38' ' ' CYS . 49.3 t . . . . . 0 N--CA 1.452 -0.355 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 56.2 m -84.95 118.61 24.65 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.872 -176.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.7 p -81.29 -40.71 23.25 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-O 121.334 0.587 . . . . 0.0 109.938 172.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -90.29 156.85 17.99 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.667 175.044 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.48 HD12 ' HB3' ' A' ' 55' ' ' HIS . 94.8 mt -136.02 151.97 50.43 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.439 179.659 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -76.95 -47.75 20.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.924 -175.008 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 72.3 mtt180 67.71 6.7 5.2 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 112.907 0.706 . . . . 0.0 112.907 175.382 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt -118.23 151.07 48.81 Favored Pre-proline 0 C--N 1.322 -0.617 0 C-N-CA 120.985 -0.286 . . . . 0.0 110.898 -178.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.401 ' HA ' ' HB2' ' A' ' 60' ' ' SER . 22.3 Cg_exo -65.78 125.45 14.3 Favored 'Trans proline' 0 C--O 1.236 0.395 0 C-N-CA 122.998 2.465 . . . . 0.0 111.847 175.562 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.591 HD22 HG21 ' A' ' 52' ' ' ILE . 60.1 mt -77.54 141.47 39.56 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.279 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.556 ' HB2' ' HG ' ' A' ' 22' ' ' LEU . 5.1 m -70.31 146.18 50.73 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.607 -178.293 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -56.91 -32.92 66.42 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.422 0.629 . . . . 0.0 110.956 -177.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -67.09 -38.56 85.91 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.923 -1.035 . . . . 0.0 111.381 -177.059 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.556 ' HG ' ' HB2' ' A' ' 19' ' ' SER . 0.7 OUTLIER -74.27 -37.07 63.81 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 175.31 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.515 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 21.4 mt -64.57 -40.53 95.72 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.139 -1.391 . . . . 0.0 112.386 -174.481 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -66.26 0.1 2.26 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 177.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -118.11 14.18 13.97 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.123 0.487 . . . . 0.0 110.874 -179.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.476 ' O ' ' HG ' ' A' ' 72' ' ' LEU . 20.7 t -77.56 136.34 24.49 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.775 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.97 176.135 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.437 HD11 ' HA ' ' A' ' 48' ' ' ALA . 29.4 pt -111.86 -25.11 3.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.419 -177.282 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.597 ' HB2' ' HB3' ' A' ' 46' ' ' HIS . 77.5 mm-40 -146.58 149.19 33.09 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.932 0.396 . . . . 0.0 111.244 -175.672 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.481 HG12 HE22 ' A' ' 68' ' ' GLN . 4.0 p -124.25 116.43 47.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 172.025 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -118.98 145.05 46.14 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.294 0.569 . . . . 0.0 111.844 -169.563 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 50.3 tp -101.41 114.46 28.48 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.435 177.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.413 ' O ' ' HA ' ' A' ' 41' ' ' GLN . 38.5 tt0 -82.88 105.41 13.87 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.37 173.518 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -71.18 147.94 47.81 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.957 0.408 . . . . 0.0 111.16 -179.497 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.469 ' HB1' ' HB2' ' A' ' 41' ' ' GLN . . . -76.58 0.05 21.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.493 178.443 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -153.25 112.02 3.72 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.397 -0.82 . . . . 0.0 108.845 177.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 122.79 -78.34 0.35 Allowed Glycine 0 N--CA 1.446 -0.675 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.345 -175.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -66.88 -41.04 87.91 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-O 121.219 0.533 . . . . 0.0 110.219 177.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.405 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 5.9 t -156.37 -169.66 3.1 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.751 -175.094 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -98.88 -21.07 16.49 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.041 0.448 . . . . 0.0 110.688 177.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -119.17 161.33 20.53 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 177.041 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.469 ' HB2' ' HB1' ' A' ' 34' ' ' ALA . 35.0 tt0 -101.32 138.61 38.11 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.841 -175.637 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.549 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -153.83 143.14 21.48 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 178.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -93.64 106.45 18.42 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 170.198 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 73.8 t -104.74 135.8 41.11 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.95 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.728 -171.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.568 HD13 HD11 ' A' ' 18' ' ' LEU . 81.6 mt -103.31 130.77 50.66 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.165 -176.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.597 ' HB3' ' HB2' ' A' ' 28' ' ' GLN . 3.5 t60 -112.1 116.81 31.11 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.171 -169.488 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.5 mp -99.35 169.86 9.05 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 173.403 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.437 ' HA ' HD11 ' A' ' 27' ' ' ILE . . . -57.25 -24.18 53.06 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.748 0.648 . . . . 0.0 112.748 -175.558 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.71 -0.89 2.55 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.684 -177.039 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 20.7 mtp180 -139.11 148.13 42.85 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.136 -171.069 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 12.9 m -126.94 123.5 37.31 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 175.495 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.591 HG21 HD22 ' A' ' 18' ' ' LEU . 68.3 mt -114.09 127.07 71.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-O 120.792 0.33 . . . . 0.0 110.305 -176.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 19.5 m -101.46 124.46 47.16 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.073 0.464 . . . . 0.0 110.867 -170.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 56.8 mt -131.94 134.1 60.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.99 -175.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.48 ' HB3' HD12 ' A' ' 13' ' ' LEU . 1.2 p80 -67.49 138.06 93.69 Favored Pre-proline 0 N--CA 1.462 0.14 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 172.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.549 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 63.1 Cg_exo -51.28 -34.24 48.59 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 123.228 2.619 . . . . 0.0 113.077 -174.709 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 19.7 mp0 -84.35 57.01 4.03 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.483 -178.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -136.87 129.16 17.13 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.492 -177.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -51.43 -37.99 62.67 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 123.263 2.642 . . . . 0.0 113.334 -177.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.401 ' HB2' ' HA ' ' A' ' 17' ' ' PRO . 5.2 t -58.3 -37.31 74.79 Favored 'General case' 0 C--O 1.222 -0.368 0 CA-C-N 116.667 -0.242 . . . . 0.0 111.121 -178.524 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.65 -45.97 27.68 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 -174.229 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 24.6 t -62.82 -48.52 78.72 Favored 'General case' 0 C--O 1.243 0.735 0 CA-C-O 121.239 0.542 . . . . 0.0 110.51 178.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -61.41 -31.61 71.54 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.604 176.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.679 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 12.4 t-105 -70.77 -36.41 73.05 Favored 'General case' 0 C--O 1.216 -0.664 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.468 -179.812 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.2 m-30 -52.23 -43.42 64.28 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.08 0.466 . . . . 0.0 110.259 176.259 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -64.6 -56.32 14.71 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-O 121.549 0.69 . . . . 0.0 111.065 174.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.504 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 32.8 m170 -69.91 -32.12 70.27 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.451 -0.795 . . . . 0.0 112.696 -169.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.679 ' HG2' ' O ' ' A' ' 64' ' ' TRP . 11.5 pt20 -73.36 -35.39 65.95 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 117.898 0.317 . . . . 0.0 110.376 178.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -58.15 -32.86 68.58 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.383 0.611 . . . . 0.0 110.114 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -114.82 35.38 4.31 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.848 179.001 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.551 ' O ' HD22 ' A' ' 72' ' ' LEU . 20.8 ttmt -147.26 -164.92 2.11 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 119.158 -0.449 . . . . 0.0 109.835 176.237 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.657 ' N ' HD13 ' A' ' 72' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.946 0 N-CA-C 114.972 1.471 . . . . 0.0 114.972 -172.274 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.499 ' HB2' ' OD1' ' A' ' 37' ' ' ASP . 38.3 t . . . . . 0 CA--C 1.518 -0.263 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 64.7 m -72.68 118.74 15.98 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.844 -1.071 . . . . 0.0 111.294 -172.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.0 p -87.31 -0.39 56.68 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.585 175.035 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -138.14 162.17 34.91 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.316 -0.857 . . . . 0.0 109.801 175.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.499 HD13 ' HB2' ' A' ' 55' ' ' HIS . 43.2 mt -138.52 135.32 34.95 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.686 0.279 . . . . 0.0 110.431 -177.668 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -66.21 -43.44 86.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.527 -176.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 81.5 mtm180 73.9 -44.21 0.56 Allowed 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 115.531 -0.759 . . . . 0.0 112.352 174.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.414 ' HA ' ' HD3' ' A' ' 16' ' ' LYS . 35.2 mmtm -71.85 148.48 92.25 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-O 120.699 0.285 . . . . 0.0 111.157 179.679 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -63.61 143.57 87.63 Favored 'Trans proline' 0 C--O 1.236 0.406 0 C-N-CA 122.623 2.216 . . . . 0.0 111.845 177.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.672 ' HB3' HD11 ' A' ' 22' ' ' LEU . 48.0 mt -89.15 148.86 23.43 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.352 -177.81 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.592 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 13.8 m -68.69 133.37 48.33 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.635 179.333 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.517 ' OD1' ' HE3' ' A' ' 71' ' ' LYS . 23.3 t70 -60.41 -28.75 68.5 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.109 0.48 . . . . 0.0 110.973 -176.679 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.621 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 58.3 mttp -66.4 -45.18 80.84 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.184 178.112 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.672 HD11 ' HB3' ' A' ' 18' ' ' LEU . 4.5 pp -73.32 -27.39 61.5 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.023 176.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.605 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 50.2 mt -62.51 -46.55 87.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.028 177.759 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.621 ' HG2' ' O ' ' A' ' 21' ' ' LYS . 13.3 ptm180 -62.55 -12.72 24.34 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 120.977 0.418 . . . . 0.0 111.02 -179.478 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -101.15 9.84 41.53 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.872 179.044 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.676 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 9.5 t -79.99 132.41 31.94 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.862 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 172.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.602 HD13 ' HA ' ' A' ' 48' ' ' ALA . 10.7 pt -97.42 -36.6 6.17 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.36 -176.267 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 75.0 mm-40 -146.28 157.6 43.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.119 0.485 . . . . 0.0 111.328 -178.041 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.483 HG23 HE22 ' A' ' 68' ' ' GLN . 65.7 t -116.09 134.36 59.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 175.569 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.401 ' HG3' ' HB ' ' A' ' 44' ' ' VAL . 9.6 pt-20 -125.78 137.45 53.79 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.384 0.611 . . . . 0.0 111.247 -176.689 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 47.5 tp -97.18 115.27 27.26 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.326 179.112 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.407 ' O ' ' HA ' ' A' ' 41' ' ' GLN . 41.8 tt0 -70.98 104.36 2.95 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 174.234 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -69.91 130.04 41.16 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.651 -176.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.652 ' HB1' ' HB2' ' A' ' 41' ' ' GLN . . . -79.61 23.6 0.41 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.608 -178.092 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -155.94 -59.43 0.1 Allowed 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.992 -0.283 . . . . 0.0 111.604 -178.025 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -61.27 -39.63 97.47 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 121.11 -0.567 . . . . 0.0 113.271 -176.039 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.499 ' OD1' ' HB2' ' A' ' 9' ' ' CYS . 9.9 t0 -110.32 -61.88 1.6 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.38 0.61 . . . . 0.0 110.39 -178.815 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.4 t -112.18 178.03 4.44 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.452 -171.144 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -87.91 -30.76 19.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.137 0.494 . . . . 0.0 110.628 174.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.4 ' HG ' ' NE2' ' A' ' 32' ' ' GLN . 0.7 OUTLIER -111.96 157.37 20.78 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.369 -179.567 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.652 ' HB2' ' HB1' ' A' ' 34' ' ' ALA . 35.8 tt0 -99.0 143.42 29.3 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.541 179.536 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.459 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -150.08 148.6 29.19 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.043 177.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.538 ' O ' ' HB ' ' A' ' 54' ' ' ILE . 34.8 m-85 -99.08 106.8 19.06 Favored 'General case' 0 C--N 1.312 -1.042 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 174.672 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.401 ' HB ' ' HG3' ' A' ' 30' ' ' GLU . 60.2 t -106.3 131.04 57.0 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.946 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.81 -171.385 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.663 HD12 HD12 ' A' ' 18' ' ' LEU . 63.4 mt -104.08 130.04 51.77 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.176 -177.399 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -114.32 107.99 16.31 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.234 -171.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.676 ' HA ' ' HA ' ' A' ' 26' ' ' VAL . 6.3 mp -79.15 168.58 19.41 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 174.127 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.602 ' HA ' HD13 ' A' ' 27' ' ' ILE . . . -55.57 -23.02 24.63 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.095 0.474 . . . . 0.0 111.977 179.206 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -138.34 3.84 2.39 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.904 -173.033 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.494 ' HB2' ' HB2' ' A' ' 47' ' ' LEU . 82.5 mtp180 -141.07 157.46 45.28 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.895 0.379 . . . . 0.0 111.718 -172.183 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 12.9 m -134.71 124.2 24.88 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.345 175.509 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.561 HG21 HD23 ' A' ' 18' ' ' LEU . 66.3 mt -125.91 132.69 70.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 110.371 -0.233 . . . . 0.0 110.371 -177.486 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 38.3 m -101.65 121.52 42.17 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.295 0.569 . . . . 0.0 110.622 -174.131 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.538 ' HB ' ' O ' ' A' ' 43' ' ' PHE . 22.8 mt -117.97 133.87 63.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.161 -176.465 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.499 ' HB2' HD13 ' A' ' 13' ' ' LEU . 53.3 t-80 -71.34 135.07 84.46 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.916 174.743 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 59.7 Cg_exo -52.86 159.78 4.73 Favored 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 122.823 2.348 . . . . 0.0 112.071 175.828 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 20.4 mp0 64.86 28.04 12.81 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.418 0.627 . . . . 0.0 111.205 -176.256 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 43.1 t-20 -103.0 124.45 38.47 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.205 174.288 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -48.65 -38.81 37.3 Favored 'Trans proline' 0 N--CA 1.463 -0.293 0 C-N-CA 123.184 2.589 . . . . 0.0 112.995 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 20.1 t -63.41 -29.87 71.09 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.503 0.192 . . . . 0.0 111.18 -176.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.511 ' HG ' ' CB ' ' A' ' 43' ' ' PHE . 1.1 tm? -80.15 -48.65 12.85 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 -179.279 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 21.6 m -63.17 -48.62 77.61 Favored 'General case' 0 C--O 1.241 0.638 0 CA-C-O 121.366 0.603 . . . . 0.0 110.764 179.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -60.39 -28.05 67.92 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.381 176.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.614 ' CZ2' HD23 ' A' ' 72' ' ' LEU . 16.9 t-105 -66.71 -33.95 76.76 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.885 -0.326 . . . . 0.0 111.151 178.505 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -59.77 -39.88 86.35 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.455 -0.498 . . . . 0.0 110.047 175.242 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -74.89 -43.43 54.38 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-O 121.488 0.661 . . . . 0.0 110.623 177.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.457 ' O ' ' HG2' ' A' ' 70' ' ' ARG . 9.0 m170 -65.43 -41.71 93.24 Favored 'General case' 0 C--O 1.223 -0.314 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.532 -178.426 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.483 HE22 HG23 ' A' ' 29' ' ' VAL . 2.6 pt20 -65.26 -34.72 79.03 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 -179.455 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -56.32 -31.32 63.58 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.745 178.453 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.457 ' HG2' ' O ' ' A' ' 67' ' ' HIS . 5.9 ptp180 -103.65 11.9 35.49 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.732 -179.314 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.517 ' HE3' ' OD1' ' A' ' 20' ' ' ASP . 52.7 mttm -137.79 -144.75 0.19 Allowed 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.702 0.287 . . . . 0.0 110.55 179.25 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.614 HD23 ' CZ2' ' A' ' 64' ' ' TRP . 0.2 OUTLIER . . . . . 0 C--N 1.341 0.229 0 CA-C-N 115.736 -0.666 . . . . 0.0 112.699 174.134 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 49.4 t . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 121.257 0.551 . . . . 0.0 109.777 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 97.8 m -86.08 118.79 25.77 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.016 -178.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.1 p -91.45 4.72 51.81 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.948 177.429 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -150.66 165.67 32.69 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.541 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.433 HD13 ' HB2' ' A' ' 55' ' ' HIS . 56.9 mt -129.03 149.26 50.92 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.418 -177.789 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.404 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 24.0 t80 -82.21 -39.56 22.94 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.1 178.734 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.404 ' HB2' ' O ' ' A' ' 14' ' ' TYR . 41.6 mtp180 73.55 -46.24 0.63 Allowed 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 112.817 0.673 . . . . 0.0 112.817 175.341 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.414 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 45.2 mtmt -74.21 151.41 87.97 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-O 120.632 0.253 . . . . 0.0 111.486 -177.332 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 16' ' ' LYS . 7.4 Cg_exo -73.15 128.77 13.32 Favored 'Trans proline' 0 N--CA 1.462 -0.382 0 C-N-CA 122.885 2.39 . . . . 0.0 111.791 176.47 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.553 ' HB3' HD11 ' A' ' 22' ' ' LEU . 83.5 mt -74.32 159.82 31.9 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.663 -179.784 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.671 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 20.8 m -85.99 141.66 29.34 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.907 -179.701 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.461 ' OD1' ' HE3' ' A' ' 71' ' ' LYS . 16.6 t70 -60.76 -28.63 68.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.967 -173.595 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 49.7 mmtm -60.81 -42.89 98.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.928 178.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.671 ' HG ' ' O ' ' A' ' 19' ' ' SER . 3.8 pp -76.04 -25.7 55.9 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.842 176.686 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.449 ' HG ' ' CE3' ' A' ' 64' ' ' TRP . 5.7 mp -59.66 -42.97 94.04 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.539 178.596 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.3 ptp180 -68.09 3.96 1.41 Allowed 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 176.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.529 ' HD3' ' HA ' ' A' ' 22' ' ' LEU . 29.1 mtpp -106.88 -21.7 12.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.412 178.292 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.416 HG23 ' HG ' ' A' ' 47' ' ' LEU . 38.6 t -61.62 145.51 12.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.721 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 36.6 pt -109.39 -29.46 2.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 C-N-CA 120.755 -0.378 . . . . 0.0 111.625 -177.438 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 70.2 mm-40 -148.53 151.05 34.45 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.143 0.496 . . . . 0.0 112.063 -174.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.6 p -111.46 124.25 68.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.253 -0.885 . . . . 0.0 108.705 171.38 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -122.67 149.95 43.35 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.826 0.346 . . . . 0.0 111.466 -168.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.547 HD12 ' CZ ' ' A' ' 43' ' ' PHE . 30.7 tp -120.87 114.48 21.64 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.174 0.512 . . . . 0.0 111.227 -177.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.443 ' O ' ' HA ' ' A' ' 41' ' ' GLN . 47.3 tt0 -89.28 107.94 19.34 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.475 -0.784 . . . . 0.0 108.981 172.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.401 ' C ' ' H ' ' A' ' 35' ' ' ASP . 45.1 mt-10 -75.0 150.18 39.06 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 -178.622 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.644 ' HB1' ' HB2' ' A' ' 41' ' ' GLN . . . -75.67 23.75 0.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 -167.599 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.401 ' H ' ' C ' ' A' ' 33' ' ' GLU . 6.1 p-10 -175.96 -20.08 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.418 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -58.61 -48.73 83.01 Favored Glycine 0 C--N 1.333 0.385 0 C-N-CA 121.063 -0.589 . . . . 0.0 112.346 178.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -108.01 -58.95 1.91 Allowed 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 175.429 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 71.6 m -137.08 156.42 48.41 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.395 -0.821 . . . . 0.0 109.52 179.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -72.92 70.35 1.01 Allowed 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 121.205 0.526 . . . . 0.0 111.688 -179.477 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.3 tt -173.61 124.67 0.38 Allowed 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 179.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.644 ' HB2' ' HB1' ' A' ' 34' ' ' ALA . 25.6 tt0 -90.54 116.66 28.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.072 0.463 . . . . 0.0 110.162 179.574 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -136.36 161.78 34.85 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.998 -177.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.547 ' CZ ' HD12 ' A' ' 31' ' ' LEU . 41.8 m-85 -120.0 124.24 45.44 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 171.421 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 38.8 t -100.89 121.81 52.16 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.072 0 CA-C-O 121.008 0.432 . . . . 0.0 110.093 -176.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.622 HD21 HD13 ' A' ' 61' ' ' LEU . 13.9 mt -91.87 103.25 15.82 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 108.342 -0.985 . . . . 0.0 108.342 177.553 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 4.5 t-160 -96.18 106.26 18.43 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.191 -0.913 . . . . 0.0 111.729 -165.431 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.416 ' HG ' HG23 ' A' ' 26' ' ' VAL . 5.3 mp -93.97 160.45 14.72 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 171.233 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.57 -11.66 60.26 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.825 0.345 . . . . 0.0 111.788 -171.293 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.49 3.76 8.35 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.72 -177.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.9 ptm180 -175.26 147.27 0.88 Allowed 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 31.2 m -118.34 129.28 55.35 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.817 0.341 . . . . 0.0 110.131 178.268 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 73.0 mt -111.79 137.64 43.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.189 -177.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 61.1 m -102.43 121.72 42.89 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.97 0.414 . . . . 0.0 110.675 -175.069 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.453 HD13 ' HB2' ' A' ' 60' ' ' SER . 3.7 tt -123.33 148.41 27.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.907 -175.787 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.572 ' HB3' HE22 ' A' ' 57' ' ' GLN . 32.7 t-80 -92.79 135.93 25.56 Favored Pre-proline 0 C--N 1.322 -0.616 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 -177.819 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.436 ' HD2' ' CD2' ' A' ' 55' ' ' HIS . 67.2 Cg_exo -40.35 -38.11 2.22 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 124.027 3.151 . . . . 0.0 115.211 -177.009 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.572 HE22 ' HB3' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -71.42 -6.2 38.52 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 121.038 0.447 . . . . 0.0 112.14 -175.795 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.427 ' HB2' ' O ' ' A' ' 55' ' ' HIS . 2.4 m120 -66.35 118.04 49.54 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.744 -177.018 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.432 ' O ' ' HG3' ' A' ' 63' ' ' GLN . 17.8 Cg_endo -61.21 -22.74 75.54 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.387 2.058 . . . . 0.0 110.468 173.441 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.453 ' HB2' HD13 ' A' ' 54' ' ' ILE . 0.8 OUTLIER -58.43 -38.45 77.47 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.273 176.06 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.622 HD13 HD21 ' A' ' 45' ' ' LEU . 41.4 tp -78.56 -35.57 45.79 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.147 -178.085 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.3 m -57.74 -46.42 84.48 Favored 'General case' 0 C--O 1.238 0.456 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 172.082 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.432 ' HG3' ' O ' ' A' ' 59' ' ' PRO . 27.6 mt-30 -60.65 -44.32 96.54 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.311 -0.859 . . . . 0.0 109.842 173.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.531 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 10.5 t-105 -58.51 -48.46 80.75 Favored 'General case' 0 C--O 1.216 -0.698 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.364 -178.091 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -53.55 -39.45 64.74 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 117.953 0.342 . . . . 0.0 111.575 179.507 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -76.36 -42.26 45.31 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-O 121.339 0.59 . . . . 0.0 110.643 177.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 13.0 m170 -66.93 -43.1 84.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.206 -178.279 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.531 ' HG2' ' O ' ' A' ' 64' ' ' TRP . 12.8 pt20 -64.51 -29.71 70.74 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-O 120.836 0.35 . . . . 0.0 110.286 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -63.99 -29.11 70.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.398 178.325 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.3 ptt180 -107.96 10.26 28.42 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 120.693 -0.403 . . . . 0.0 111.147 178.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.461 ' HE3' ' OD1' ' A' ' 20' ' ' ASP . 63.2 mttm -125.68 -164.16 1.28 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.278 175.589 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.1 mp . . . . . 0 N--CA 1.464 0.254 0 O-C-N 123.762 0.664 . . . . 0.0 111.662 -179.739 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.798 ' HA ' ' OE1' ' A' ' 32' ' ' GLN . 38.2 t . . . . . 0 N--CA 1.448 -0.528 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 84.5 m -87.77 117.03 26.32 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.284 -0.871 . . . . 0.0 111.219 -174.083 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.3 p -86.11 -39.47 16.7 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.405 0.621 . . . . 0.0 109.725 172.025 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -88.26 163.55 16.05 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.016 -0.993 . . . . 0.0 110.751 175.161 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.425 HD12 ' HB3' ' A' ' 55' ' ' HIS . 61.1 mt -141.25 140.5 33.92 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.189 -177.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.597 ' CE2' ' HB2' ' A' ' 16' ' ' LYS . 77.2 t80 -83.55 -41.14 18.26 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 178.135 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 17.5 ptm180 48.19 27.3 1.25 Allowed 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.507 1.123 . . . . 0.0 113.997 172.032 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.597 ' HB2' ' CE2' ' A' ' 14' ' ' TYR . 68.3 mttm -123.18 147.89 53.19 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 122.153 -0.342 . . . . 0.0 110.34 178.788 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.404 ' HA ' ' HB2' ' A' ' 60' ' ' SER . 51.0 Cg_exo -55.7 124.45 16.31 Favored 'Trans proline' 0 C--O 1.238 0.481 0 C-N-CA 123.222 2.614 . . . . 0.0 113.365 -178.775 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.764 ' HB3' HD13 ' A' ' 22' ' ' LEU . 87.2 mt -93.52 148.21 22.28 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.338 178.166 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.599 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 11.3 m -89.25 151.25 22.24 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.728 -178.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.471 ' HA ' ' HB2' ' A' ' 23' ' ' LEU . 18.5 m-20 -59.33 -29.29 67.54 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.603 -0.272 . . . . 0.0 111.422 178.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -55.48 -48.88 73.88 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.376 178.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.764 HD13 ' HB3' ' A' ' 18' ' ' LEU . 3.9 pp -77.09 -33.8 56.99 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.932 175.735 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.471 ' HB2' ' HA ' ' A' ' 20' ' ' ASP . 2.2 tp -63.58 -35.83 81.79 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.551 -0.75 . . . . 0.0 112.26 -171.598 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -66.02 -12.18 53.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.934 0.397 . . . . 0.0 111.562 179.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.493 ' HE2' ' HA ' ' A' ' 22' ' ' LEU . 53.7 mtmt -96.92 5.94 49.57 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.16 -177.35 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.462 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 12.3 t -74.25 130.19 36.11 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.865 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.797 175.234 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.519 HD13 ' HA ' ' A' ' 48' ' ' ALA . 16.0 pt -105.32 -27.23 3.15 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.931 -178.423 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.43 ' HG2' HG13 ' A' ' 27' ' ' ILE . 14.3 mm100 -137.82 134.26 34.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.511 -179.054 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 52.3 t -107.99 115.78 49.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 170.183 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -125.32 147.96 48.92 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.396 0.617 . . . . 0.0 111.779 -173.148 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 44.7 tp -111.09 108.83 18.66 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.498 -0.773 . . . . 0.0 109.928 176.143 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.798 ' OE1' ' HA ' ' A' ' 9' ' ' CYS . 8.8 tt0 -72.45 128.5 35.79 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 173.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -99.42 158.11 15.95 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 120.668 0.27 . . . . 0.0 110.692 -175.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.16 -11.77 58.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.113 -0.494 . . . . 0.0 112.026 -174.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -143.02 -6.99 0.83 Allowed 'General case' 0 C--N 1.317 -0.847 0 CA-C-O 121.284 0.564 . . . . 0.0 110.09 177.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -87.19 109.35 3.44 Favored Glycine 0 N--CA 1.448 -0.506 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.985 -178.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.6 t70 73.32 -53.45 0.7 Allowed 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 123.769 0.828 . . . . 0.0 110.323 -178.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 31.7 t -117.12 -165.83 1.11 Allowed 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.154 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 36.5 p-80 -124.51 28.47 6.6 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.546 0.573 . . . . 0.0 112.546 -174.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.5 pp -159.38 155.43 26.69 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 110.409 -0.219 . . . . 0.0 110.409 176.381 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.589 ' HA ' ' O ' ' A' ' 32' ' ' GLN . 62.2 tt0 -93.89 131.71 39.04 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.909 0.385 . . . . 0.0 110.817 -176.161 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.544 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -159.84 134.73 7.9 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.687 176.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.51 ' CB ' ' HG ' ' A' ' 61' ' ' LEU . 64.1 m-85 -84.89 103.1 13.65 Favored 'General case' 0 C--N 1.317 -0.848 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 172.066 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 85.1 t -99.84 134.9 37.64 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.931 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.401 -173.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.547 HD13 HD12 ' A' ' 18' ' ' LEU . 60.7 mt -105.49 119.54 39.35 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.889 -177.149 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -106.71 109.07 20.88 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.773 -171.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.462 ' HA ' ' HA ' ' A' ' 26' ' ' VAL . 7.0 mp -87.2 163.08 17.12 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 175.71 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.519 ' HA ' HD13 ' A' ' 27' ' ' ILE . . . -57.98 -25.48 61.09 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.853 -0.612 . . . . 0.0 112.225 -178.608 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -128.79 3.87 5.44 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.964 -0.562 . . . . 0.0 112.398 -170.591 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -167.37 170.8 11.15 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.861 -176.187 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 15.5 m -139.91 135.2 32.61 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.829 0.347 . . . . 0.0 110.725 -179.037 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 81.4 mt -124.77 129.3 73.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.57 -179.617 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 34.3 m -102.05 121.52 42.33 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.16 0.505 . . . . 0.0 110.645 -174.024 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 43.8 mt -122.47 138.91 51.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.019 -179.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.425 ' HB3' HD12 ' A' ' 13' ' ' LEU . 3.7 p80 -86.23 157.08 56.84 Favored Pre-proline 0 C--N 1.326 -0.429 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 177.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.544 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 19.2 Cg_endo -58.92 153.14 53.03 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.282 1.988 . . . . 0.0 111.421 175.609 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 32.3 mm-40 65.93 64.54 0.55 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.588 0.709 . . . . 0.0 110.501 -174.176 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -141.47 130.17 12.32 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 115.155 -0.93 . . . . 0.0 109.454 177.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -51.12 -31.76 36.95 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 123.54 2.827 . . . . 0.0 113.61 -177.088 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.404 ' HB2' ' HA ' ' A' ' 17' ' ' PRO . 4.2 t -70.51 -43.0 70.56 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.639 0.257 . . . . 0.0 110.808 -176.721 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.51 ' HG ' ' CB ' ' A' ' 43' ' ' PHE . 0.2 OUTLIER -70.76 -41.8 71.28 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 -176.044 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 27.9 t -58.54 -48.5 80.66 Favored 'General case' 0 C--O 1.24 0.576 0 CA-C-O 121.258 0.551 . . . . 0.0 109.938 177.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -60.34 -37.03 79.37 Favored 'General case' 0 C--O 1.224 -0.269 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.485 176.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.455 ' CE3' ' HG ' ' A' ' 23' ' ' LEU . 5.8 t-105 -68.97 -28.3 66.49 Favored 'General case' 0 C--O 1.217 -0.62 0 C-N-CA 121.06 -0.256 . . . . 0.0 111.313 -177.317 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -61.47 -50.7 71.69 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.17 -0.612 . . . . 0.0 110.074 173.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -64.33 -45.75 86.53 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-O 121.395 0.617 . . . . 0.0 110.627 176.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.514 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 12.2 m170 -68.72 -40.73 79.76 Favored 'General case' 0 C--O 1.217 -0.623 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.984 -175.279 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -64.17 -32.6 74.24 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.13 0.49 . . . . 0.0 110.227 -177.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -61.25 -32.71 72.51 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.838 176.383 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 -115.04 30.53 7.29 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.836 179.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.514 ' HB2' ' O ' ' A' ' 67' ' ' HIS . 7.5 tppt? -141.79 -155.49 0.59 Allowed 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 -178.06 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.457 ' H ' ' HG3' ' A' ' 71' ' ' LYS . 1.5 mm? . . . . . 0 C--O 1.233 0.199 0 C-N-CA 123.932 0.893 . . . . 0.0 113.312 -174.19 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 11.2 t . . . . . 0 N--CA 1.448 -0.538 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 59.6 m -71.35 117.46 12.91 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.894 -177.396 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 15.3 p -102.59 -3.36 26.84 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.683 0.754 . . . . 0.0 109.378 172.701 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -123.8 159.71 28.95 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.706 -1.133 . . . . 0.0 109.279 175.297 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 88.3 mt -134.76 142.77 46.82 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.583 0.23 . . . . 0.0 110.513 -176.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -65.34 -44.33 88.09 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.886 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 51.1 mtp180 66.3 7.65 5.06 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.579 -0.737 . . . . 0.0 112.503 172.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.435 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 72.6 mmtt -124.28 142.06 39.09 Favored Pre-proline 0 C--N 1.323 -0.555 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 179.809 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 16' ' ' LYS . 32.3 Cg_exo -62.71 128.91 24.61 Favored 'Trans proline' 0 N--CA 1.463 -0.295 0 C-N-CA 122.837 2.358 . . . . 0.0 111.701 177.423 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.638 ' HB3' HD11 ' A' ' 22' ' ' LEU . 82.8 mt -77.45 156.32 31.16 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.055 -176.631 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.545 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 48.9 m -72.49 135.93 45.81 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.14 176.042 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -62.88 -28.66 70.19 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 121.124 0.488 . . . . 0.0 110.581 -176.46 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.44 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 27.1 mtpp -60.11 -49.24 78.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.861 178.735 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.638 HD11 ' HB3' ' A' ' 18' ' ' LEU . 4.4 pp -75.97 -27.58 57.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.973 0.416 . . . . 0.0 110.608 175.724 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.635 ' HG ' ' CZ3' ' A' ' 64' ' ' TRP . 14.5 tp -67.76 -37.34 81.97 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.104 -174.324 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.665 ' HB3' ' HD3' ' A' ' 71' ' ' LYS . 14.0 ptm180 -66.37 -5.7 11.68 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 121.041 0.448 . . . . 0.0 111.37 179.09 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.6 mtpt -105.32 7.29 33.33 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.738 -179.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.674 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 43.4 t -82.42 130.82 35.12 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.01 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 170.586 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 14.6 pt -99.2 -36.38 5.41 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.344 -175.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -142.68 157.52 44.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.831 0.348 . . . . 0.0 110.618 -177.191 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 4.5 p -111.84 115.86 50.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 172.28 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -108.16 117.33 33.85 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.602 0.715 . . . . 0.0 111.388 -173.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 48.4 tp -76.86 118.66 19.68 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.75 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -79.92 110.71 15.55 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.241 172.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -80.53 147.2 30.94 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 179.245 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.617 ' HB1' ' HB2' ' A' ' 41' ' ' GLN . . . -77.18 28.15 0.14 Allowed 'General case' 0 C--O 1.236 0.384 0 N-CA-C 112.907 0.706 . . . . 0.0 112.907 -167.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -177.39 -14.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.597 0.236 . . . . 0.0 111.038 -178.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -62.14 -74.39 0.41 Allowed Glycine 0 C--N 1.334 0.427 0 C-N-CA 121.315 -0.469 . . . . 0.0 113.099 -178.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -84.16 -44.6 13.82 Favored 'General case' 0 CA--C 1.516 -0.331 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 179.067 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 94.8 m -150.92 -176.55 5.58 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.329 -1.305 . . . . 0.0 108.632 172.469 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 5.1 p-80 -78.24 173.75 11.94 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.754 -0.379 . . . . 0.0 110.091 174.487 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.2 tm? 75.92 121.6 0.05 OUTLIER 'General case' 0 N--CA 1.471 0.621 0 O-C-N 124.241 0.963 . . . . 0.0 110.373 -179.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.617 ' HB2' ' HB1' ' A' ' 34' ' ' ALA . 9.8 tt0 -94.31 131.25 40.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.499 -179.41 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.506 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -147.91 163.03 38.06 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.946 -179.211 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.441 ' O ' ' HB ' ' A' ' 54' ' ' ILE . 2.3 m-85 -109.27 103.7 12.7 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 174.489 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.447 HG11 ' O ' ' A' ' 52' ' ' ILE . 57.9 t -99.68 131.17 47.57 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.696 -171.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 64.3 mt -94.41 124.37 38.39 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.24 0.543 . . . . 0.0 110.569 -178.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 10.8 t60 -102.18 103.59 14.12 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.989 -172.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.674 ' HA ' ' HA ' ' A' ' 26' ' ' VAL . 6.0 mp -79.97 161.96 25.19 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 172.096 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.13 -13.85 20.42 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -178.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -109.99 -42.73 4.14 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.155 -177.648 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.7 168.86 24.98 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.66 -0.245 . . . . 0.0 111.123 -174.391 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.1 m -110.76 157.15 20.09 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.032 0.444 . . . . 0.0 111.757 -176.564 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.447 ' O ' HG11 ' A' ' 44' ' ' VAL . 62.2 mt -125.71 143.9 37.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.127 175.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 25.1 m -99.93 121.52 41.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.025 0.44 . . . . 0.0 110.501 -171.46 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.441 ' HB ' ' O ' ' A' ' 43' ' ' PHE . 5.8 mt -126.44 144.74 35.58 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.722 -174.391 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 20.9 t-80 -65.58 129.46 94.36 Favored Pre-proline 0 CA--C 1.531 0.242 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.689 176.115 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.506 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 72.7 Cg_exo -48.85 -42.61 37.09 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.911 2.408 . . . . 0.0 113.11 -178.694 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 26.1 mm-40 -93.49 78.78 4.36 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 174.183 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -140.31 131.41 14.08 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.905 179.493 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -52.91 -34.85 68.31 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 123.059 2.506 . . . . 0.0 112.982 -177.188 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.4 t -63.75 -30.23 71.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.281 -178.309 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.436 ' O ' ' HB3' ' A' ' 64' ' ' TRP . 0.4 OUTLIER -79.99 -43.61 21.69 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 -176.913 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.0 p -66.59 -44.69 81.5 Favored 'General case' 0 C--O 1.242 0.702 0 CA-C-O 121.684 0.754 . . . . 0.0 110.946 178.341 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -60.56 -28.44 68.46 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.09 175.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.635 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 13.1 t-105 -61.62 -46.07 91.38 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.803 178.473 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -53.16 -41.11 64.86 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.843 0.354 . . . . 0.0 110.541 177.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -76.21 -38.87 55.89 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.054 0.454 . . . . 0.0 111.103 179.368 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.651 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 8.9 m170 -70.42 -45.85 65.09 Favored 'General case' 0 C--O 1.219 -0.539 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.408 -177.612 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.407 ' HG2' ' O ' ' A' ' 64' ' ' TRP . 4.2 pt20 -65.38 -29.72 70.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.992 0.425 . . . . 0.0 110.173 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -57.65 -34.73 69.65 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.974 175.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 -114.24 27.29 9.6 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.251 -178.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.665 ' HD3' ' HB3' ' A' ' 24' ' ' ARG . 4.5 ttmm -146.54 -158.16 0.88 Allowed 'General case' 0 C--N 1.328 -0.368 0 O-C-N 122.294 -0.254 . . . . 0.0 110.733 -174.599 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.632 HD12 ' CH2' ' A' ' 64' ' ' TRP . 6.9 mp . . . . . 0 C--N 1.342 0.245 0 CA-C-O 120.777 0.322 . . . . 0.0 110.901 -175.263 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 92.2 m . . . . . 0 N--CA 1.448 -0.55 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.458 ' HB2' ' OE1' ' A' ' 32' ' ' GLN . 62.2 m -64.64 129.69 40.76 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.061 178.69 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 13.8 t -128.5 12.3 6.41 Favored 'General case' 0 C--N 1.312 -1.055 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 171.165 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -144.81 146.08 31.94 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 113.991 -1.459 . . . . 0.0 109.552 -179.558 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 68.5 mt -132.48 122.5 24.99 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 179.193 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -59.26 -50.68 73.06 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.752 -176.038 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.409 ' HG2' ' O ' ' A' ' 15' ' ' ARG . 40.9 ttp180 63.93 25.82 14.04 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.681 0.753 . . . . 0.0 111.091 174.775 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.516 ' HD2' ' HD2' ' A' ' 17' ' ' PRO . 22.2 mmtp -140.06 154.9 70.78 Favored Pre-proline 0 C--N 1.319 -0.743 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.051 177.725 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.701 ' HA ' ' OG ' ' A' ' 60' ' ' SER . 31.5 Cg_endo -64.18 142.14 78.94 Favored 'Trans proline' 0 N--CA 1.462 -0.327 0 C-N-CA 122.666 2.244 . . . . 0.0 112.099 176.352 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 87.4 mt -98.13 167.12 11.07 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.356 177.408 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.662 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 16.5 m -99.09 137.17 38.0 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.806 -179.043 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -63.28 -27.4 69.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.575 -179.007 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 38.4 mttm -54.93 -49.72 70.64 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.021 0.439 . . . . 0.0 109.852 178.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.662 ' HG ' ' O ' ' A' ' 19' ' ' SER . 4.0 pp -76.16 -36.36 58.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.677 175.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.435 HD11 ' HA ' ' A' ' 23' ' ' LEU . 6.7 tp -63.21 -36.96 85.38 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.675 -0.693 . . . . 0.0 112.138 -170.183 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.3 ptp180 -64.7 -11.81 39.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.872 0.368 . . . . 0.0 111.275 179.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -101.28 13.17 35.94 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.264 -177.309 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.78 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 20.3 t -72.01 147.62 10.39 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.695 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.486 172.699 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 13.3 pt -114.13 -35.76 2.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 C-N-CA 121.151 -0.22 . . . . 0.0 111.346 179.356 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 -141.41 157.62 44.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.795 0.331 . . . . 0.0 110.762 -178.35 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.682 HG21 HE22 ' A' ' 68' ' ' GLN . 46.9 t -119.36 120.83 64.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 174.735 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -124.11 111.25 15.71 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.336 -171.703 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -90.22 130.05 36.4 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.361 0.601 . . . . 0.0 109.94 176.202 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.52 ' O ' ' HA ' ' A' ' 41' ' ' GLN . 58.2 tt0 -77.44 105.48 8.6 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.596 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -73.3 134.92 44.34 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 176.165 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.496 ' HA ' ' O ' ' A' ' 40' ' ' LEU . . . -67.85 7.7 0.49 Allowed 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 114.12 1.155 . . . . 0.0 114.12 -167.236 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -175.66 -21.68 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 178.499 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -70.92 -33.33 65.84 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.882 -0.675 . . . . 0.0 111.877 174.059 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -110.72 -50.47 2.95 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.151 0.501 . . . . 0.0 110.301 179.004 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 19.6 t -168.43 161.35 11.78 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.827 -1.175 . . . . 0.0 107.827 -178.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 15.2 t60 -74.64 78.41 2.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 118.754 0.706 . . . . 0.0 112.22 -172.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.505 ' O ' ' HG2' ' A' ' 32' ' ' GLN . 62.5 tp 174.09 153.56 0.11 Allowed 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 124.328 1.051 . . . . 0.0 108.452 171.696 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.52 ' HA ' ' O ' ' A' ' 32' ' ' GLN . 29.8 tt0 -113.1 121.9 45.94 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 176.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.471 ' HA ' ' HG3' ' A' ' 56' ' ' PRO . . . -155.55 176.16 12.96 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 -178.074 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -126.44 112.05 15.16 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.258 -0.428 . . . . 0.0 109.878 175.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 11.4 t -104.33 132.62 50.48 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-O 121.026 0.441 . . . . 0.0 110.476 -175.132 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 70.2 mt -104.58 119.0 37.98 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.889 -179.626 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -104.42 103.53 13.25 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.418 -168.429 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.78 ' HA ' ' HA ' ' A' ' 26' ' ' VAL . 6.5 mp -83.3 159.55 21.88 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 173.303 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.53 -3.66 9.32 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.646 0.26 . . . . 0.0 111.321 178.305 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -109.77 -47.75 3.31 Favored 'General case' 0 N--CA 1.446 -0.656 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 -179.544 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.88 174.67 15.16 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.137 -177.377 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.2 m -124.1 135.63 53.68 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.657 0.265 . . . . 0.0 110.745 -178.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 4.9 mp -107.88 136.44 43.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 174.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 44.4 t -101.7 127.84 48.28 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.64 0.733 . . . . 0.0 110.132 -178.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -111.43 134.72 52.88 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.872 0 CA-C-N 115.098 -0.955 . . . . 0.0 111.166 -173.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.571 ' O ' ' HB2' ' A' ' 58' ' ' ASN . 13.5 t-80 -63.3 132.87 95.26 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.344 172.323 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.497 ' O ' ' HB2' ' A' ' 57' ' ' GLN . 50.3 Cg_exo -53.76 141.48 65.05 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 121.926 1.75 . . . . 0.0 111.789 178.557 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.497 ' HB2' ' O ' ' A' ' 56' ' ' PRO . 1.7 mp0 74.95 17.06 2.82 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 123.428 0.691 . . . . 0.0 111.181 -175.641 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.571 ' HB2' ' O ' ' A' ' 55' ' ' HIS . 6.7 t30 -76.26 130.57 77.2 Favored Pre-proline 0 C--O 1.235 0.301 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 174.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.499 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 3.9 Cg_endo -46.3 -47.75 14.5 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 123.693 2.929 . . . . 0.0 113.045 -177.078 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.701 ' OG ' ' HA ' ' A' ' 17' ' ' PRO . 66.3 m -63.02 -19.43 64.36 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 113.186 0.809 . . . . 0.0 113.186 -176.239 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.91 -39.98 29.2 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 179.742 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 40.9 t -69.39 -50.92 41.58 Favored 'General case' 0 C--O 1.244 0.794 0 CA-C-O 121.375 0.607 . . . . 0.0 110.812 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.499 ' HG2' ' O ' ' A' ' 59' ' ' PRO . 2.7 pt20 -61.17 -27.52 68.47 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.967 177.066 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.495 ' HB2' ' O ' ' A' ' 60' ' ' SER . 5.4 t-105 -61.91 -39.07 90.74 Favored 'General case' 0 C--O 1.22 -0.48 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.342 179.06 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.627 ' HA ' ' OE1' ' A' ' 68' ' ' GLN . 10.4 m-85 -59.05 -35.71 73.78 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.995 0.426 . . . . 0.0 110.812 176.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.409 ' O ' ' HB3' ' A' ' 69' ' ' GLU . 37.1 mt-10 -74.79 -46.89 33.92 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-O 121.708 0.766 . . . . 0.0 110.907 175.746 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.563 ' HB3' ' HE2' ' A' ' 71' ' ' LYS . 16.8 m170 -68.22 -41.39 81.36 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.227 -175.423 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.682 HE22 HG21 ' A' ' 29' ' ' VAL . 2.0 pt20 -67.23 -26.86 66.8 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 -179.627 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.409 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 8.2 tp10 -60.95 -29.57 69.71 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.151 175.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 17.4 ptp180 -114.58 12.17 17.2 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -177.046 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.563 ' HE2' ' HB3' ' A' ' 67' ' ' HIS . 61.8 mttm -130.57 -156.17 0.74 Allowed 'General case' 0 N--CA 1.469 0.479 0 O-C-N 122.111 -0.368 . . . . 0.0 110.977 177.726 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.0 mp . . . . . 0 CA--C 1.513 -0.451 0 N-CA-C 114.253 1.205 . . . . 0.0 114.253 175.772 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.401 ' HA ' ' HB2' ' A' ' 38' ' ' CYS . 33.1 t . . . . . 0 C--O 1.233 0.219 0 N-CA-C 106.387 -1.709 . . . . 0.0 106.387 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.425 ' O ' HD12 ' A' ' 40' ' ' LEU . 8.3 t -59.11 118.38 5.79 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 113.207 -1.815 . . . . 0.0 110.638 -174.186 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.9 p -85.08 -56.35 3.6 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.323 -179.314 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.419 ' NE2' ' SG ' ' A' ' 10' ' ' CYS . 0.2 OUTLIER -76.54 137.35 39.53 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.549 0.69 . . . . 0.0 111.401 178.062 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.449 HD13 ' HA ' ' A' ' 55' ' ' HIS . 83.2 mt -119.55 144.84 46.84 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 -177.698 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -76.34 -34.72 58.98 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.574 -0.284 . . . . 0.0 110.836 -175.52 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.771 ' HG3' ' H ' ' A' ' 16' ' ' LYS . 5.7 tpt180 63.58 -177.42 0.15 Allowed 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 -176.846 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.771 ' H ' ' HG3' ' A' ' 15' ' ' ARG . 36.4 mtmm 68.41 166.86 0.12 Allowed Pre-proline 0 N--CA 1.466 0.372 0 CA-C-O 120.915 0.388 . . . . 0.0 111.441 177.148 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.557 ' HA ' ' HB2' ' A' ' 60' ' ' SER . 1.7 Cg_endo -84.3 138.33 7.55 Favored 'Trans proline' 0 N--CA 1.454 -0.803 0 C-N-CA 122.754 2.303 . . . . 0.0 111.259 170.486 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 89.3 mt -80.5 144.26 32.66 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.943 -0.392 . . . . 0.0 109.943 178.198 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.586 ' HB2' ' HG ' ' A' ' 22' ' ' LEU . 48.3 m -61.48 147.45 45.22 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.909 179.921 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -56.76 -37.21 70.75 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.879 -177.51 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -56.99 -44.01 82.3 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.955 177.759 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.586 ' HG ' ' HB2' ' A' ' 19' ' ' SER . 1.0 OUTLIER -73.38 -43.47 60.54 Favored 'General case' 0 CA--C 1.512 -0.493 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 -179.709 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.509 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 33.7 mt -58.53 -49.13 78.51 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 115.087 -0.961 . . . . 0.0 111.95 -174.214 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -61.71 -9.45 6.37 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -177.67 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 47.3 mtmt -99.52 -7.46 25.92 Favored 'General case' 0 C--O 1.236 0.395 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.816 179.623 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.652 HG22 ' HG ' ' A' ' 47' ' ' LEU . 39.9 t -74.82 133.39 31.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 175.608 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 19.8 pt -110.14 -22.72 4.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 112.445 0.535 . . . . 0.0 112.445 -173.519 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 70.2 mm-40 -149.16 156.98 43.0 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.964 0.411 . . . . 0.0 111.651 -179.462 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 43.8 t -112.94 128.5 69.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.401 177.33 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -119.16 139.37 51.93 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.937 0.398 . . . . 0.0 110.655 -176.361 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.455 HD12 ' CZ ' ' A' ' 43' ' ' PHE . 42.3 tp -105.13 119.43 39.02 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.15 0.5 . . . . 0.0 111.304 -179.285 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -87.02 104.7 16.56 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 170.609 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -74.28 144.6 44.52 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.778 -176.71 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.696 ' HB1' ' HB2' ' A' ' 41' ' ' GLN . . . -78.14 5.76 9.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.515 -176.833 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -157.77 -30.79 0.08 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.966 179.612 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -71.0 3.29 13.75 Favored Glycine 0 CA--C 1.521 0.468 0 C-N-CA 120.996 -0.621 . . . . 0.0 113.383 -179.822 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -165.29 -65.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.408 0.623 . . . . 0.0 109.979 178.198 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.401 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 11.5 t -111.29 164.52 12.82 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.176 -0.92 . . . . 0.0 109.363 -175.336 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.3 p-80 -91.5 30.04 1.38 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.078 0.465 . . . . 0.0 111.782 179.873 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.425 HD12 ' O ' ' A' ' 10' ' ' CYS . 1.0 OUTLIER -158.34 151.7 23.11 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 171.493 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.696 ' HB2' ' HB1' ' A' ' 34' ' ' ALA . 55.7 tt0 -98.44 143.85 28.44 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.952 0.406 . . . . 0.0 111.078 -175.331 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -153.84 152.13 30.32 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.122 176.876 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.539 ' CB ' ' HG ' ' A' ' 61' ' ' LEU . 16.5 m-85 -111.5 106.61 15.54 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 172.729 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.4 t -105.97 126.84 61.42 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.406 -170.56 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.7 mt -95.81 131.14 42.43 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.478 -176.791 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 20.3 t-80 -108.2 112.01 24.29 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.276 0.56 . . . . 0.0 110.99 -177.121 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.652 ' HG ' HG22 ' A' ' 26' ' ' VAL . 4.4 mp -89.22 164.83 14.8 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 172.88 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.55 0.45 12.54 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.043 0.449 . . . . 0.0 110.814 178.569 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -117.18 -28.47 6.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.122 179.432 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.5 ptm180 -165.81 175.54 8.64 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.885 -0.326 . . . . 0.0 111.467 -168.434 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.8 m -127.09 139.03 53.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 109.973 177.423 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 63.4 mt -125.87 136.76 59.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 -179.708 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 66.9 m -100.07 121.06 40.8 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.305 0.574 . . . . 0.0 110.472 -174.797 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.51 ' HB ' ' O ' ' A' ' 43' ' ' PHE . 5.4 mt -111.2 141.38 26.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.982 -177.328 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.449 ' HA ' HD13 ' A' ' 13' ' ' LEU . 50.2 t-80 -62.48 127.88 90.64 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.677 173.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.429 ' HA ' ' HD1' ' A' ' 43' ' ' PHE . 79.7 Cg_exo -46.99 -58.83 1.5 Allowed 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 123.045 2.497 . . . . 0.0 113.318 -174.903 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -77.65 72.86 4.21 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.131 0.491 . . . . 0.0 110.077 176.669 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.413 ' HB2' ' O ' ' A' ' 55' ' ' HIS . 3.2 m-20 -131.35 137.47 30.61 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.118 177.343 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -61.18 -30.32 88.46 Favored 'Trans proline' 0 N--CA 1.463 -0.284 0 C-N-CA 122.58 2.187 . . . . 0.0 111.708 176.954 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.557 ' HB2' ' HA ' ' A' ' 17' ' ' PRO . 27.0 t -66.17 -32.59 74.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.846 -175.635 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.539 ' HG ' ' CB ' ' A' ' 43' ' ' PHE . 1.0 OUTLIER -80.35 -46.47 16.03 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.287 -176.873 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.3 p -64.22 -47.65 78.87 Favored 'General case' 0 C--O 1.248 0.978 0 CA-C-O 121.653 0.739 . . . . 0.0 110.674 179.919 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -61.07 -28.7 69.26 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.303 177.615 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.509 ' CZ3' ' HB3' ' A' ' 23' ' ' LEU . 23.2 t-105 -62.98 -38.74 92.36 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.676 -179.075 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -54.41 -42.35 70.36 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.143 0.497 . . . . 0.0 110.143 176.549 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.459 ' O ' ' HB3' ' A' ' 69' ' ' GLU . 47.3 mt-10 -75.36 -41.35 56.66 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 121.326 0.584 . . . . 0.0 111.183 177.211 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.466 ' HB2' ' HA ' ' A' ' 64' ' ' TRP . 9.5 m170 -63.69 -45.48 89.84 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.601 -177.279 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.5 ' HG2' ' O ' ' A' ' 64' ' ' TRP . 11.1 pt20 -68.07 -26.32 65.78 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.791 0.329 . . . . 0.0 110.269 -179.851 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.459 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 42.0 tt0 -58.01 -34.58 70.16 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.294 177.244 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.4 ptt180 -105.42 10.97 33.15 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 178.447 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 62.9 mttm -127.13 -159.18 0.92 Allowed 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 175.781 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.9 mp . . . . . 0 C--N 1.342 0.26 0 O-C-N 123.511 0.507 . . . . 0.0 111.533 -178.317 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 34.5 t . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 121.603 0.716 . . . . 0.0 109.679 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 83.0 m -76.24 118.95 19.49 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.831 -179.9 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -95.33 2.12 54.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.436 0.636 . . . . 0.0 110.573 173.403 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -128.13 161.76 28.49 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.736 174.022 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 95.4 mt -137.78 139.91 40.3 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.319 -176.623 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.42 ' CE2' ' HB2' ' A' ' 16' ' ' LYS . 61.4 t80 -66.68 -44.0 82.97 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.825 177.916 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.424 HH11 ' HD2' ' A' ' 15' ' ' ARG . 62.3 mtt85 73.37 -38.1 0.4 Allowed 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 115.617 -0.719 . . . . 0.0 112.918 172.647 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.42 ' HB2' ' CE2' ' A' ' 14' ' ' TYR . 65.4 mttm -73.9 154.09 88.96 Favored Pre-proline 0 C--N 1.323 -0.585 0 N-CA-C 110.389 -0.226 . . . . 0.0 110.389 176.176 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.406 ' HA ' ' HB2' ' A' ' 60' ' ' SER . 12.2 Cg_exo -70.85 143.78 46.49 Favored 'Trans proline' 0 N--CA 1.459 -0.515 0 C-N-CA 122.53 2.154 . . . . 0.0 111.836 176.148 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.896 ' HB3' HD13 ' A' ' 22' ' ' LEU . 70.1 mt -89.34 136.98 32.72 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.497 179.305 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.672 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 20.2 m -66.55 142.42 57.51 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.72 178.985 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.552 ' OD1' ' HE3' ' A' ' 71' ' ' LYS . 20.5 t70 -60.47 -29.52 69.09 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.168 0.508 . . . . 0.0 111.063 -176.555 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -56.78 -46.75 81.31 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.557 178.181 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.896 HD13 ' HB3' ' A' ' 18' ' ' LEU . 4.2 pp -75.85 -29.36 58.54 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.818 176.958 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.498 HD12 ' HA ' ' A' ' 20' ' ' ASP . 69.3 mt -60.39 -45.43 93.57 Favored 'General case' 0 C--O 1.223 -0.34 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.624 -177.481 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -60.96 0.03 0.26 Allowed 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 -178.197 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.61 ' NZ ' ' HA ' ' A' ' 22' ' ' LEU . 35.9 mtmm -113.54 -3.52 13.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.59 0.233 . . . . 0.0 111.164 177.254 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.723 HG22 ' HG ' ' A' ' 47' ' ' LEU . 22.4 t -76.72 94.63 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.452 0.644 . . . . 0.0 109.38 -179.594 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.0 pt -76.66 -25.34 16.0 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.885 0 CA-C-N 115.235 -0.893 . . . . 0.0 112.303 -169.868 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -137.61 146.18 43.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.867 0.365 . . . . 0.0 111.56 -176.386 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.6 t -113.85 120.21 63.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 174.654 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -112.07 132.99 54.5 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.018 0.437 . . . . 0.0 111.006 -171.515 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 41.2 tp -97.67 105.65 17.83 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.123 0.487 . . . . 0.0 110.03 176.682 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.44 ' O ' ' HA ' ' A' ' 41' ' ' GLN . 39.0 tt0 -71.04 104.43 3.0 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.31 174.758 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -77.48 141.67 39.54 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.498 -179.195 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.493 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . . . -82.24 4.45 23.52 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.542 -179.253 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -139.8 -42.42 0.44 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.994 179.82 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -67.9 -21.36 73.27 Favored Glycine 0 C--N 1.332 0.331 0 C-N-CA 121.053 -0.594 . . . . 0.0 113.196 -177.34 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -141.95 -65.48 0.42 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.373 0.606 . . . . 0.0 110.164 -178.005 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 17.2 t -99.47 -171.03 1.99 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.485 -174.388 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 45.3 p-80 -106.0 -4.65 20.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.308 0.575 . . . . 0.0 109.577 172.816 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.4 tt -128.42 138.92 52.55 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.213 -0.903 . . . . 0.0 108.744 -179.669 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.493 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 29.0 tt0 -94.58 131.37 40.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.133 0.492 . . . . 0.0 111.23 -177.818 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.652 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -142.25 170.36 15.86 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.055 -177.791 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -121.7 103.49 8.92 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 173.663 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.467 HG12 ' O ' ' A' ' 52' ' ' ILE . 73.8 t -102.64 138.92 25.1 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 CA-C-O 121.195 0.521 . . . . 0.0 111.125 -171.704 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.519 HD11 HD12 ' A' ' 18' ' ' LEU . 72.4 mt -105.7 125.27 50.79 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.642 -177.299 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.412 ' HD2' ' HA ' ' A' ' 48' ' ' ALA . 0.6 OUTLIER -105.5 111.97 24.88 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.668 -175.911 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.759 ' HB2' ' HB2' ' A' ' 50' ' ' ARG . 6.1 mp -96.04 12.09 31.78 Favored 'General case' 0 CA--C 1.506 -0.725 0 CA-C-N 115.193 -0.912 . . . . 0.0 109.011 179.301 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.412 ' HA ' ' HD2' ' A' ' 46' ' ' HIS . . . 80.96 -65.32 0.15 Allowed 'General case' 0 C--N 1.305 -1.36 0 CA-C-N 112.614 -2.085 . . . . 0.0 109.973 172.116 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -79.51 -22.09 44.43 Favored 'General case' 0 C--N 1.311 -1.105 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 173.607 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.759 ' HB2' ' HB2' ' A' ' 47' ' ' LEU . 72.9 mtt180 -120.1 154.85 34.1 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 115.604 -0.726 . . . . 0.0 111.659 178.599 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.1 m -142.23 124.1 15.22 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 173.613 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.467 ' O ' HG12 ' A' ' 44' ' ' VAL . 67.8 mt -123.14 140.37 47.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.252 -175.954 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 63.1 m -101.35 121.51 42.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.543 0.687 . . . . 0.0 111.184 -173.185 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 49.0 mt -130.7 148.44 33.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.04 -0.982 . . . . 0.0 109.404 -178.755 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 5.3 p80 -99.7 155.89 35.98 Favored Pre-proline 0 C--N 1.328 -0.336 0 O-C-N 121.781 -0.574 . . . . 0.0 110.161 178.044 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.652 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 62.2 Cg_exo -50.57 147.24 17.85 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 123.202 2.601 . . . . 0.0 112.638 177.258 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 67.4 mt-30 70.95 29.54 2.99 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.28 175.843 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -97.47 134.78 22.18 Favored Pre-proline 0 C--N 1.326 -0.415 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 171.696 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.429 ' O ' ' HG3' ' A' ' 63' ' ' GLN . 73.1 Cg_exo -49.26 -36.95 38.76 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 123.061 2.508 . . . . 0.0 113.148 -177.665 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.406 ' HB2' ' HA ' ' A' ' 17' ' ' PRO . 5.3 t -67.84 -37.87 82.45 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.726 -0.216 . . . . 0.0 111.029 -176.227 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.28 -47.04 59.34 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 -176.902 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 25.1 m -61.29 -48.14 82.75 Favored 'General case' 0 C--O 1.242 0.68 0 CA-C-O 121.043 0.449 . . . . 0.0 111.222 178.997 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.429 ' HG3' ' O ' ' A' ' 59' ' ' PRO . 46.2 mt-30 -61.57 -33.16 73.4 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.375 178.833 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.435 ' CZ2' ' HB ' ' A' ' 26' ' ' VAL . 14.1 t-105 -65.67 -35.98 82.34 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.696 179.343 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -53.44 -46.22 69.75 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.902 0.382 . . . . 0.0 110.746 176.007 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.446 ' O ' ' HB3' ' A' ' 69' ' ' GLU . 46.0 mt-10 -81.05 -36.94 29.87 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-O 121.3 0.571 . . . . 0.0 111.106 -178.269 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 8.6 m170 -65.88 -44.93 83.89 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.806 -179.307 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -63.33 -29.78 71.03 Favored 'General case' 0 CA--C 1.521 -0.167 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 178.948 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.446 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 12.5 tp10 -55.75 -32.24 63.24 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.575 178.872 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 21.6 ptt180 -111.95 10.66 20.59 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 112.492 0.552 . . . . 0.0 112.492 -178.744 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.552 ' HE3' ' OD1' ' A' ' 20' ' ' ASP . 59.3 mttm -124.59 -149.08 0.41 Allowed 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 -177.196 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.499 ' N ' HD21 ' A' ' 72' ' ' LEU . 2.5 mm? . . . . . 0 C--N 1.35 0.618 0 C-N-CA 123.516 0.726 . . . . 0.0 111.802 -171.668 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 22.2 t . . . . . 0 N--CA 1.448 -0.548 0 CA-C-O 121.804 0.811 . . . . 0.0 108.982 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.417 ' SG ' ' NE2' ' A' ' 12' ' ' GLN . 0.9 OUTLIER -83.52 123.29 29.59 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 114.659 -1.155 . . . . 0.0 109.684 -178.571 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.1 p -76.56 -15.16 59.93 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.066 -0.515 . . . . 0.0 112.113 -175.636 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.417 ' NE2' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -143.04 165.32 27.69 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.926 0.393 . . . . 0.0 110.923 -178.083 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.461 HD13 ' HB3' ' A' ' 55' ' ' HIS . 87.3 mt -129.79 144.96 51.56 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.523 -178.095 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.443 ' O ' ' HB3' ' A' ' 15' ' ' ARG . 19.4 t80 -71.79 -37.38 70.42 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.894 -0.322 . . . . 0.0 110.732 -176.84 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.443 ' HB3' ' O ' ' A' ' 14' ' ' TYR . 43.6 ttt180 74.82 -42.38 0.49 Allowed 'General case' 0 N--CA 1.468 0.47 0 O-C-N 123.729 0.643 . . . . 0.0 112.209 173.193 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -69.74 152.46 96.12 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 122.416 -0.178 . . . . 0.0 110.543 176.302 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -68.01 144.14 62.84 Favored 'Trans proline' 0 N--CA 1.461 -0.427 0 C-N-CA 122.084 1.856 . . . . 0.0 110.658 170.385 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.87 ' HB3' HD13 ' A' ' 22' ' ' LEU . 60.0 mt -87.55 142.09 28.11 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.897 0.379 . . . . 0.0 111.479 -174.559 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.516 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 49.6 m -66.1 145.01 56.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.393 -179.372 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -62.56 -34.74 77.56 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.822 -175.773 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -62.6 -45.66 91.87 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.969 -177.269 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.87 HD13 ' HB3' ' A' ' 18' ' ' LEU . 4.7 pp -74.03 -27.78 61.11 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 121.003 -0.279 . . . . 0.0 110.767 177.88 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' A' ' 19' ' ' SER . 66.1 mt -62.97 -45.49 92.17 Favored 'General case' 0 C--O 1.224 -0.248 0 CA-C-O 120.472 0.177 . . . . 0.0 111.292 179.938 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.565 ' HB3' ' HD3' ' A' ' 71' ' ' LYS . 16.4 ptp180 -67.49 4.96 0.87 Allowed 'General case' 0 CA--C 1.536 0.435 0 CA-C-O 120.804 0.335 . . . . 0.0 111.726 179.614 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.419 ' H ' ' C ' ' A' ' 23' ' ' LEU . 53.5 mtmt -118.92 11.68 12.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.032 176.282 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 37.8 t -79.04 144.19 11.4 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 CA-C-N 116.323 -0.399 . . . . 0.0 109.986 177.222 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 25.3 pt -110.48 -35.2 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 C-N-CA 120.508 -0.477 . . . . 0.0 112.277 -177.023 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.809 HE21 ' HA ' ' A' ' 28' ' ' GLN . 0.0 OUTLIER -145.86 157.64 43.9 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.952 0.406 . . . . 0.0 111.585 -177.194 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 45.3 t -120.35 121.59 66.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 173.501 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -114.97 157.12 23.85 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.631 0.253 . . . . 0.0 111.289 -171.353 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.494 HD11 ' CE2' ' A' ' 43' ' ' PHE . 48.6 tp -119.56 116.19 25.54 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 121.28 0.562 . . . . 0.0 111.038 179.381 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -94.54 116.39 28.72 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.028 -0.987 . . . . 0.0 109.223 173.094 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -79.87 154.62 28.25 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.878 0.371 . . . . 0.0 111.593 -174.516 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.689 ' HB3' ' HB2' ' A' ' 41' ' ' GLN . . . -82.89 12.37 4.96 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.885 -0.598 . . . . 0.0 112.053 -174.556 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -170.77 12.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.105 0.478 . . . . 0.0 110.272 179.218 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -93.16 -90.95 1.55 Allowed Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.662 -0.78 . . . . 0.0 111.603 -179.07 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -96.97 7.19 47.19 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.134 0.493 . . . . 0.0 110.415 179.68 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.9 t -164.01 177.41 8.51 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.838 179.325 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 70.0 t60 -88.27 -41.61 12.8 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -177.211 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.534 ' H ' HD13 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -102.19 154.25 19.19 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.467 -0.493 . . . . 0.0 110.881 -179.169 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.689 ' HB2' ' HB3' ' A' ' 34' ' ' ALA . 36.7 tt0 -93.69 130.28 39.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.15 -177.444 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.447 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -147.1 127.9 14.36 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.14 0.495 . . . . 0.0 111.534 -177.206 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.559 ' HB3' ' HG ' ' A' ' 61' ' ' LEU . 0.7 OUTLIER -88.96 109.82 20.58 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 170.197 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.0 t -97.02 126.24 49.83 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.205 -170.206 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.812 HD12 HD11 ' A' ' 18' ' ' LEU . 29.6 mt -92.71 108.33 19.9 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.859 0.838 . . . . 0.0 109.419 175.911 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -95.91 111.76 23.67 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.441 -170.36 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.414 ' HB2' ' O ' ' A' ' 50' ' ' ARG . 6.2 mp -94.61 157.43 15.98 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 172.303 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.55 -12.71 55.42 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.834 0.35 . . . . 0.0 111.586 -177.992 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -106.46 -37.24 6.55 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.277 -175.168 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.414 ' O ' ' HB2' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -160.63 154.37 22.48 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.342 177.608 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 6.9 m -98.89 134.99 40.97 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.479 178.222 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.614 HG21 HD21 ' A' ' 18' ' ' LEU . 53.9 mt -112.98 128.96 69.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 177.532 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 56.9 m -102.25 126.21 49.18 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.698 0.761 . . . . 0.0 111.349 -172.415 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -124.28 146.75 29.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 114.919 -1.037 . . . . 0.0 109.839 -177.73 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.461 ' HB3' HD13 ' A' ' 13' ' ' LEU . 3.5 p80 -83.81 138.88 40.34 Favored Pre-proline 0 C--N 1.327 -0.412 0 C-N-CA 119.795 -0.762 . . . . 0.0 109.301 173.204 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 70.9 Cg_exo -50.54 -24.21 12.14 Favored 'Trans proline' 0 N--CA 1.48 0.716 0 C-N-CA 123.678 2.918 . . . . 0.0 114.237 -174.082 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.432 ' HB2' ' CE1' ' A' ' 55' ' ' HIS . 23.2 mp0 -80.8 7.77 9.67 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.257 -178.028 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.452 ' HA ' ' HD2' ' A' ' 59' ' ' PRO . 47.5 t-20 -90.62 121.34 68.4 Favored Pre-proline 0 C--N 1.329 -0.288 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 176.452 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.452 ' HD2' ' HA ' ' A' ' 58' ' ' ASN . 3.5 Cg_endo -48.47 -35.05 27.56 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 123.853 3.035 . . . . 0.0 113.156 178.763 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.2 m -60.0 -31.67 70.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.229 -0.441 . . . . 0.0 112.054 -173.768 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.559 ' HG ' ' HB3' ' A' ' 43' ' ' PHE . 0.8 OUTLIER -69.28 -44.16 72.39 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-O 120.663 0.268 . . . . 0.0 110.402 -178.165 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.437 ' HA ' ' CD2' ' A' ' 65' ' ' PHE . 41.2 t -70.7 -49.36 47.89 Favored 'General case' 0 C--O 1.24 0.6 0 CA-C-O 121.352 0.596 . . . . 0.0 110.869 -178.001 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -60.45 -27.3 67.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.246 177.564 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.484 ' CE2' ' HB3' ' A' ' 68' ' ' GLN . 22.8 t-105 -65.44 -36.65 84.56 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.868 176.282 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.767 ' HA ' HE21 ' A' ' 68' ' ' GLN . 26.3 m-85 -53.37 -46.91 69.8 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.078 0.466 . . . . 0.0 109.97 176.204 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.481 ' O ' ' HB3' ' A' ' 69' ' ' GLU . 41.5 mt-10 -65.81 -45.98 80.31 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 121.897 0.856 . . . . 0.0 110.935 178.385 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.591 ' O ' ' HG3' ' A' ' 71' ' ' LYS . 35.9 m80 -76.69 -24.71 53.17 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.732 -0.667 . . . . 0.0 112.418 -170.881 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.767 HE21 ' HA ' ' A' ' 65' ' ' PHE . 29.8 pt20 -79.63 -18.61 51.13 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.293 -0.563 . . . . 0.0 110.035 175.527 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.481 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 12.3 tp10 -65.38 -27.85 68.86 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 170.876 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.3 ptp180 -108.94 1.69 20.89 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 112.273 0.472 . . . . 0.0 112.273 179.176 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.591 ' HG3' ' O ' ' A' ' 67' ' ' HIS . 71.6 mttt -119.3 -170.5 1.94 Allowed 'General case' 0 CA--C 1.515 -0.38 0 O-C-N 122.063 -0.398 . . . . 0.0 110.223 174.077 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.3 mt . . . . . 0 N--CA 1.468 0.456 0 O-C-N 124.321 1.013 . . . . 0.0 111.927 177.578 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.639 ' HA ' ' HB2' ' A' ' 38' ' ' CYS . 48.6 t . . . . . 0 N--CA 1.447 -0.62 0 N-CA-C 107.626 -1.249 . . . . 0.0 107.626 . . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.631 ' O ' HD23 ' A' ' 40' ' ' LEU . 59.8 m -69.37 118.37 12.17 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.84 -1.073 . . . . 0.0 112.023 -171.975 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 25.4 p -98.0 11.62 36.93 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.581 170.818 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -158.86 160.92 36.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.392 -179.073 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 77.1 mt -136.59 137.27 39.98 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 177.995 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.444 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 48.0 t80 -65.52 -43.79 88.95 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 -174.672 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.444 ' HB2' ' O ' ' A' ' 14' ' ' TYR . 73.8 mtt180 75.69 -26.9 0.19 Allowed 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 113.593 0.96 . . . . 0.0 113.593 174.203 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -101.29 165.59 13.85 Favored Pre-proline 0 C--N 1.321 -0.643 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -172.15 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.471 ' HA ' ' HB2' ' A' ' 60' ' ' SER . 13.0 Cg_exo -72.18 120.88 7.08 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 123.151 2.567 . . . . 0.0 111.703 172.653 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.627 HD22 HG23 ' A' ' 52' ' ' ILE . 6.0 mp -75.49 156.75 34.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.7 0.286 . . . . 0.0 110.245 179.554 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.645 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 20.8 m -64.68 129.86 41.41 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.825 179.742 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.542 ' OD1' ' HE3' ' A' ' 71' ' ' LYS . 21.0 t70 -61.27 -28.34 69.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.181 0.515 . . . . 0.0 110.748 -178.07 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.422 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 93.0 mttt -57.5 -47.53 81.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.866 177.615 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.645 ' HG ' ' O ' ' A' ' 19' ' ' SER . 4.5 pp -75.83 -27.5 57.9 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.994 -0.282 . . . . 0.0 110.583 177.069 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.653 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 61.5 mt -60.78 -47.29 86.98 Favored 'General case' 0 C--O 1.226 -0.176 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.202 -179.156 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.422 ' HG2' ' O ' ' A' ' 21' ' ' LYS . 37.5 ptt180 -62.9 -1.9 1.04 Allowed 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -179.544 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.402 ' HE2' ' HA ' ' A' ' 22' ' ' LEU . 48.3 mtmt -110.18 0.35 18.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.694 0.283 . . . . 0.0 111.034 178.537 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.545 ' O ' ' HG ' ' A' ' 72' ' ' LEU . 48.7 t -75.79 107.21 6.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 177.788 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 18.9 pt -67.55 -36.42 76.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.996 -174.471 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 39.4 mm-40 -155.63 158.64 38.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.124 0.488 . . . . 0.0 111.645 -177.021 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.439 HG11 HE22 ' A' ' 68' ' ' GLN . 30.0 m -106.96 151.25 8.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.463 172.796 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.546 ' CG ' ' HB ' ' A' ' 44' ' ' VAL . 15.1 pt-20 -134.43 135.54 42.62 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.278 0.561 . . . . 0.0 110.647 179.728 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 38.1 tp -96.17 111.03 23.2 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.952 177.66 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.481 ' NE2' ' HB3' ' A' ' 38' ' ' CYS . 0.1 OUTLIER -83.78 106.88 15.82 Favored 'General case' 0 N--CA 1.444 -0.749 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 176.962 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.465 ' C ' ' H ' ' A' ' 35' ' ' ASP . 31.8 mt-10 -64.89 154.01 38.6 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.868 -175.166 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.639 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . . . -76.71 22.29 0.18 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.848 0.356 . . . . 0.0 111.815 -173.878 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.465 ' H ' ' C ' ' A' ' 33' ' ' GLU . 4.9 p-10 179.69 -2.09 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.766 -177.095 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.424 ' HA3' ' HB2' ' A' ' 33' ' ' GLU . . . -80.69 -3.68 90.28 Favored Glycine 0 C--N 1.331 0.265 0 C-N-CA 121.11 -0.567 . . . . 0.0 112.838 -175.84 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -171.3 -43.4 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.394 0.616 . . . . 0.0 109.439 178.32 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.639 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 11.2 t -127.44 160.38 31.62 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.33 -0.85 . . . . 0.0 108.815 177.682 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -74.59 4.96 5.3 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 113.247 0.832 . . . . 0.0 113.247 -173.566 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.631 HD23 ' O ' ' A' ' 10' ' ' CYS . 3.2 pp -131.33 153.76 49.27 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 120.737 -0.385 . . . . 0.0 111.093 -179.507 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.639 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 9.0 tt0 -90.49 134.34 34.43 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.848 178.947 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.451 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -146.33 151.13 37.01 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.091 0.472 . . . . 0.0 111.308 -178.76 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.571 ' O ' ' HB ' ' A' ' 54' ' ' ILE . 3.0 m-85 -107.27 100.93 10.35 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 172.68 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.546 ' HB ' ' CG ' ' A' ' 30' ' ' GLU . 39.3 t -95.69 132.01 40.96 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.998 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.388 -172.833 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.424 HD22 ' CD2' ' A' ' 61' ' ' LEU . 51.4 mt -93.02 117.07 29.66 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.2 0.524 . . . . 0.0 109.663 -179.944 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 14.0 t60 -102.41 108.14 19.37 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.486 -167.416 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.42 ' HG ' ' HA ' ' A' ' 26' ' ' VAL . 6.1 mp -98.35 169.98 9.18 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 173.131 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.409 ' HB1' ' OE1' ' A' ' 49' ' ' GLN . . . -78.78 0.7 25.87 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.007 0.432 . . . . 0.0 111.377 -171.767 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.409 ' OE1' ' HB1' ' A' ' 48' ' ' ALA . 0.5 OUTLIER -131.38 -8.35 3.73 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.165 -177.793 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 12.6 ptp180 -171.44 166.59 6.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.792 0.329 . . . . 0.0 111.49 -169.672 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.9 m -138.6 124.23 19.66 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.776 178.371 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.627 HG23 HD22 ' A' ' 18' ' ' LEU . 4.5 mp -102.08 136.96 31.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 178.329 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 49.5 t -101.09 136.19 41.33 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.665 0.745 . . . . 0.0 111.072 -173.445 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.571 ' HB ' ' O ' ' A' ' 43' ' ' PHE . 1.2 mt -134.03 143.78 37.37 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.833 0 CA-C-N 114.938 -1.028 . . . . 0.0 111.346 -171.724 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.651 ' O ' ' HB2' ' A' ' 58' ' ' ASN . 26.6 t-80 -69.61 135.2 88.28 Favored Pre-proline 0 C--O 1.217 -0.617 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 173.573 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 82.4 Cg_exo -45.75 -46.35 15.38 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.172 1.915 . . . . 0.0 112.224 178.619 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -86.94 83.05 7.59 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 168.307 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.651 ' HB2' ' O ' ' A' ' 55' ' ' HIS . 6.7 t30 -132.36 133.58 23.88 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.225 179.351 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -55.2 -28.18 60.29 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 123.249 2.633 . . . . 0.0 113.05 -178.792 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.471 ' HB2' ' HA ' ' A' ' 17' ' ' PRO . 4.2 t -77.59 -33.9 53.71 Favored 'General case' 0 C--O 1.222 -0.384 0 C-N-CA 120.63 -0.428 . . . . 0.0 111.149 179.775 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.507 HD22 HG23 ' A' ' 54' ' ' ILE . 0.3 OUTLIER -77.21 -48.52 17.35 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.436 0.16 . . . . 0.0 111.285 -168.066 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.0 t -59.81 -50.04 75.34 Favored 'General case' 0 C--O 1.242 0.675 0 CA-C-O 121.318 0.58 . . . . 0.0 110.02 -179.254 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -61.19 -31.49 71.25 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.423 175.624 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.653 ' CZ3' ' HB3' ' A' ' 23' ' ' LEU . 7.3 t-105 -66.16 -36.38 82.95 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 120.871 -0.331 . . . . 0.0 110.565 -178.119 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -58.47 -39.44 79.98 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.694 175.745 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.487 ' O ' ' HB3' ' A' ' 69' ' ' GLU . 21.4 mm-40 -75.56 -39.26 58.46 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.251 0.548 . . . . 0.0 111.231 177.27 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -68.28 -41.6 80.77 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.232 -179.609 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.469 ' HB2' HD22 ' A' ' 72' ' ' LEU . 3.2 pt20 -68.63 -25.02 64.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.962 0.411 . . . . 0.0 110.163 179.027 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.487 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 21.7 tp10 -59.16 -32.65 70.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.595 175.039 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.6 ptp180 -113.54 19.76 16.58 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.675 -177.849 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.542 ' HE3' ' OD1' ' A' ' 20' ' ' ASP . 42.9 mttm -141.61 -169.35 2.87 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 119.515 -0.278 . . . . 0.0 110.429 177.959 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.578 HD11 ' CH2' ' A' ' 64' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.484 1.246 0 N-CA-C 114.991 1.478 . . . . 0.0 114.991 -173.483 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 80.5 m . . . . . 0 N--CA 1.451 -0.406 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 62.0 m -65.17 120.17 12.21 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.625 -0.716 . . . . 0.0 112.602 -176.61 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.2 p -108.35 6.6 26.57 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.922 168.117 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -145.8 152.95 40.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.041 -0.981 . . . . 0.0 110.288 -179.501 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 60.3 mt -132.45 132.85 43.16 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 179.779 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -63.48 -40.8 98.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.383 -174.158 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 11.1 mmm180 70.95 -53.16 0.68 Allowed 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.594 0.758 . . . . 0.0 112.438 178.754 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -62.23 139.04 96.22 Favored Pre-proline 0 C--N 1.327 -0.38 0 O-C-N 123.216 0.322 . . . . 0.0 111.391 -178.76 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -61.31 126.58 19.67 Favored 'Trans proline' 0 C--O 1.237 0.435 0 C-N-CA 122.98 2.453 . . . . 0.0 112.012 177.27 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.607 HD13 HD13 ' A' ' 45' ' ' LEU . 62.0 mt -73.82 153.02 40.11 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.818 -179.736 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.609 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 17.9 m -82.06 140.47 33.86 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.834 -179.691 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.54 ' HA ' HD12 ' A' ' 23' ' ' LEU . 9.0 t0 -63.71 -29.07 70.34 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.597 -177.545 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.574 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 65.2 mttm -61.09 -45.43 94.76 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.238 179.707 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.609 ' HG ' ' O ' ' A' ' 19' ' ' SER . 4.6 pp -73.84 -25.17 59.94 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.175 177.144 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.54 HD12 ' HA ' ' A' ' 20' ' ' ASP . 67.7 mt -61.0 -36.6 79.9 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.511 179.667 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.705 ' HB3' ' HD3' ' A' ' 71' ' ' LYS . 12.6 ptm180 -65.03 -4.56 4.82 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-O 121.293 0.568 . . . . 0.0 111.459 177.705 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.508 ' HD3' ' HA ' ' A' ' 22' ' ' LEU . 51.0 mtpt -108.69 1.22 21.03 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.527 -176.645 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.556 HG21 ' HG ' ' A' ' 47' ' ' LEU . 52.6 t -79.57 143.84 11.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 174.514 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.542 HD11 ' HD2' ' A' ' 46' ' ' HIS . 5.0 pt -104.47 -37.63 4.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 C-N-CA 120.155 -0.618 . . . . 0.0 111.694 -178.588 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -154.88 157.84 38.43 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-O 120.691 0.282 . . . . 0.0 111.027 178.837 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.476 HG11 HD21 ' A' ' 45' ' ' LEU . 20.5 t -100.7 126.59 54.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 174.55 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.429 ' HG3' ' HB ' ' A' ' 44' ' ' VAL . 15.1 pt-20 -117.5 126.09 52.0 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.604 0.716 . . . . 0.0 111.263 -176.524 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 41.5 tp -90.05 117.65 29.0 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.848 179.404 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.427 ' HB3' ' HB1' ' A' ' 42' ' ' ALA . 50.7 tt0 -78.64 107.27 11.2 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 173.229 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -64.66 148.48 50.89 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.95 179.264 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.631 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . . . -80.72 25.21 0.44 Allowed 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -170.921 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 31.5 t70 178.32 -37.84 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.737 -0.211 . . . . 0.0 110.756 -175.508 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -48.98 -43.87 31.68 Favored Glycine 0 C--N 1.336 0.539 0 O-C-N 123.832 0.708 . . . . 0.0 113.558 -176.901 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -108.42 -63.11 1.37 Allowed 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 175.543 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 66.3 m -135.65 146.53 47.92 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.42 -0.809 . . . . 0.0 108.972 171.608 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -72.72 82.73 1.15 Allowed 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -173.876 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.2 tt -172.79 123.77 0.44 Allowed 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 174.19 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.631 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 24.6 tt0 -86.16 116.76 24.56 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.906 0.384 . . . . 0.0 110.663 -177.813 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.529 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -137.91 155.32 49.04 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.032 -178.097 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.626 ' HB3' ' HG ' ' A' ' 61' ' ' LEU . 0.5 OUTLIER -116.26 107.42 14.83 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 176.003 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.429 ' HB ' ' HG3' ' A' ' 30' ' ' GLU . 60.6 t -110.23 139.0 35.54 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.142 -170.523 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.607 HD13 HD13 ' A' ' 18' ' ' LEU . 75.3 mt -99.79 114.75 28.11 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.966 179.325 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.542 ' HD2' HD11 ' A' ' 27' ' ' ILE . 5.9 t60 -88.41 102.62 15.06 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.146 -176.168 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.559 ' HB2' ' O ' ' A' ' 50' ' ' ARG . 6.1 mp -89.83 164.09 14.77 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 172.61 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.37 -13.55 61.5 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.232 0.539 . . . . 0.0 110.858 -175.042 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -101.48 -36.18 8.91 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.081 -177.941 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.559 ' O ' ' HB2' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -174.9 161.96 3.09 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.58 179.072 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.0 m -99.75 140.47 33.9 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 120.967 0.413 . . . . 0.0 110.767 177.361 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.471 HG23 HD22 ' A' ' 18' ' ' LEU . 61.5 mt -105.97 135.57 43.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 176.457 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 47.5 t -101.12 124.91 47.57 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.366 0.603 . . . . 0.0 111.03 -172.059 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.407 ' HB ' HD21 ' A' ' 61' ' ' LEU . 31.2 mt -125.88 145.84 32.65 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.574 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.789 -176.346 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 45.3 t-80 -68.46 131.12 91.77 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.085 174.613 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.529 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 77.6 Cg_exo -52.12 140.49 50.48 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.907 2.405 . . . . 0.0 112.017 177.103 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.401 ' HB2' ' O ' ' A' ' 56' ' ' PRO . 52.8 mt-30 69.5 45.65 0.8 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.61 0.719 . . . . 0.0 110.575 -178.286 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -107.88 140.09 21.28 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 114.948 -1.024 . . . . 0.0 109.039 173.474 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -42.87 -47.36 8.2 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 123.453 2.769 . . . . 0.0 113.566 179.847 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 49.2 m -70.4 -34.82 73.0 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 111.804 0.298 . . . . 0.0 111.804 -176.208 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.626 ' HG ' ' HB3' ' A' ' 43' ' ' PHE . 0.2 OUTLIER -70.84 -47.68 58.03 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 -178.377 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 39.8 t -65.9 -47.24 75.44 Favored 'General case' 0 C--O 1.241 0.651 0 CA-C-O 121.004 0.43 . . . . 0.0 110.72 179.785 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -60.62 -28.97 68.94 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.771 -179.288 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.517 ' CZ3' ' HB3' ' A' ' 23' ' ' LEU . 27.6 t-105 -68.33 -38.41 81.49 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.138 179.932 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -53.2 -40.23 64.3 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.425 -0.51 . . . . 0.0 110.038 175.634 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -79.43 -41.92 26.55 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.043 -179.337 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 23.7 m170 -65.68 -39.76 91.62 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.821 179.72 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.489 ' HB2' ' CE2' ' A' ' 64' ' ' TRP . 17.0 tt0 -62.86 -34.52 77.54 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.524 177.698 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -61.45 -28.08 69.02 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.67 178.194 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 14.4 ptt180 -113.99 24.35 12.12 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.726 179.063 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.705 ' HD3' ' HB3' ' A' ' 24' ' ' ARG . 24.6 ttmt -144.17 -150.1 0.3 Allowed 'General case' 0 C--O 1.236 0.371 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.362 -177.987 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.493 HD23 ' CZ2' ' A' ' 64' ' ' TRP . 8.5 mt . . . . . 0 C--N 1.345 0.383 0 C-N-CA 123.278 0.631 . . . . 0.0 111.744 -178.103 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.3 t . . . . . 0 C--O 1.233 0.212 0 N-CA-C 106.706 -1.59 . . . . 0.0 106.706 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 43.5 t -53.77 137.1 38.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 113.336 -1.756 . . . . 0.0 112.495 -172.647 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.8 t -130.87 15.64 5.26 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.808 178.113 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -141.61 95.21 2.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.729 0.776 . . . . 0.0 111.005 176.753 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.548 HD22 ' SG ' ' A' ' 53' ' ' CYS . 50.6 mt -83.05 135.51 34.82 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.373 -0.83 . . . . 0.0 111.019 -176.448 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.403 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 10.1 t80 -62.8 -46.7 86.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.972 -176.512 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.403 ' HB2' ' O ' ' A' ' 14' ' ' TYR . 99.9 mtt180 75.08 -44.28 0.53 Allowed 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.667 0.787 . . . . 0.0 112.485 177.763 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -63.65 129.92 94.04 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 120.591 0.234 . . . . 0.0 111.142 -178.527 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -59.89 116.98 3.68 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.95 2.434 . . . . 0.0 111.958 177.23 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.778 ' HB3' HD12 ' A' ' 22' ' ' LEU . 82.0 mt -71.13 138.53 49.74 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.074 -177.101 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.606 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 5.1 m -74.08 140.62 45.44 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.857 -178.374 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.476 ' HA ' HD13 ' A' ' 23' ' ' LEU . 9.9 t70 -55.53 -34.58 64.8 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 121.057 0.456 . . . . 0.0 111.131 -178.643 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.418 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 66.5 mttm -56.91 -46.68 81.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.337 179.281 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.778 HD12 ' HB3' ' A' ' 18' ' ' LEU . 4.3 pp -76.37 -26.85 56.08 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.794 176.605 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.503 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 76.6 mt -65.2 -36.75 85.17 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.725 -178.045 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.418 ' HB3' ' HD3' ' A' ' 71' ' ' LYS . 15.2 ptm180 -67.54 4.79 0.94 Allowed 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 121.217 0.532 . . . . 0.0 111.366 178.298 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.551 ' HD3' ' HA ' ' A' ' 22' ' ' LEU . 24.1 mtpp -109.01 0.18 19.85 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.057 178.91 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.85 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 25.1 t -84.74 150.55 3.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 177.625 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 18.0 pt -124.49 -24.1 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -178.54 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 22.7 mm-40 -152.34 154.09 34.95 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 120.753 0.311 . . . . 0.0 111.462 -177.935 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.445 HG11 HE22 ' A' ' 68' ' ' GLN . 13.7 m -98.68 126.07 51.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.298 0.57 . . . . 0.0 109.863 169.581 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.945 ' HB2' ' HB ' ' A' ' 44' ' ' VAL . 3.2 mm-40 -95.7 110.8 22.88 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 -179.811 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 32.1 tp -90.1 105.36 17.76 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 120.136 -0.626 . . . . 0.0 110.81 -179.823 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.418 ' HB3' ' HB2' ' A' ' 42' ' ' ALA . 46.5 tt0 -82.14 104.27 12.36 Favored 'General case' 0 N--CA 1.442 -0.859 0 CA-C-N 115.232 -0.894 . . . . 0.0 108.634 172.522 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -73.52 154.78 39.73 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.175 -176.757 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.635 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . . . -83.1 1.98 37.57 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.978 -179.294 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -156.29 -28.11 0.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.589 179.728 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -63.81 -13.57 52.37 Favored Glycine 0 CA--C 1.524 0.602 0 CA-C-N 116.255 -0.43 . . . . 0.0 114.006 -176.749 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -159.33 -62.33 0.07 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.366 0.603 . . . . 0.0 109.6 177.137 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 52.7 t -99.44 167.26 10.73 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.378 -0.828 . . . . 0.0 108.789 176.449 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.2 p-80 -96.19 8.94 42.54 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.152 0.501 . . . . 0.0 111.103 178.543 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.3 tt -125.94 134.7 51.45 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 178.474 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.635 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 29.8 tt0 -90.09 135.01 33.92 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 110.264 -0.273 . . . . 0.0 110.264 -177.243 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.549 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -150.65 157.64 43.22 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.953 0.406 . . . . 0.0 111.135 179.202 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.621 ' HB3' ' HG ' ' A' ' 61' ' ' LEU . 7.0 m-85 -118.34 102.44 8.95 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.372 0.606 . . . . 0.0 109.602 175.42 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.945 ' HB ' ' HB2' ' A' ' 30' ' ' GLU . 68.7 t -94.91 140.63 16.41 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.99 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.983 -176.316 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.613 HD13 HD11 ' A' ' 18' ' ' LEU . 23.0 mt -103.1 117.38 34.42 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.138 0.494 . . . . 0.0 110.78 178.603 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.435 ' HB2' ' CD ' ' A' ' 30' ' ' GLU . 3.4 t-160 -93.48 95.56 9.34 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.068 -176.871 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.85 ' HA ' ' HA ' ' A' ' 26' ' ' VAL . 6.0 mp -80.64 157.83 25.85 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 174.042 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.54 17.33 0.11 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.965 0.412 . . . . 0.0 111.47 -178.234 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.508 ' H ' ' C ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -138.54 -39.4 0.52 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.945 -176.872 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.533 ' O ' ' HB2' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -164.31 160.95 21.52 Favored 'General case' 0 C--O 1.225 -0.205 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.382 178.727 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.7 m -112.61 135.76 52.97 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.784 0.326 . . . . 0.0 111.048 -177.382 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 48.4 mt -110.36 146.38 15.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.037 -178.958 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.548 ' SG ' HD22 ' A' ' 13' ' ' LEU . 45.6 t -102.22 124.75 48.36 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.94 0.4 . . . . 0.0 110.758 -176.687 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.453 HG21 HD21 ' A' ' 61' ' ' LEU . 0.3 OUTLIER -125.1 147.22 29.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.123 0.487 . . . . 0.0 111.181 -177.08 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.484 ' CD2' ' HD2' ' A' ' 56' ' ' PRO . 17.1 t-80 -68.26 133.0 91.46 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.642 176.004 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.549 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 86.3 Cg_exo -48.99 -46.76 23.99 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.651 2.234 . . . . 0.0 112.661 179.786 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.446 ' HB2' ' CE1' ' A' ' 55' ' ' HIS . 23.6 mp0 -83.32 78.32 9.65 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 174.118 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -143.32 132.8 11.73 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.108 179.242 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -59.97 -36.75 88.9 Favored 'Trans proline' 0 CA--C 1.528 0.196 0 C-N-CA 123.035 2.49 . . . . 0.0 112.911 -177.098 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 26.3 m -68.33 -34.13 75.55 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 111.751 0.278 . . . . 0.0 111.751 -175.245 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.621 ' HG ' ' HB3' ' A' ' 43' ' ' PHE . 0.2 OUTLIER -74.51 -37.42 63.11 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 177.768 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.485 ' O ' ' HB2' ' A' ' 65' ' ' PHE . 34.8 t -68.67 -48.3 64.3 Favored 'General case' 0 C--O 1.248 0.976 0 CA-C-O 121.035 0.445 . . . . 0.0 111.116 -178.376 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -60.23 -29.05 68.5 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 175.189 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.503 ' CZ3' ' HB3' ' A' ' 23' ' ' LEU . 23.3 t-105 -66.99 -32.26 73.38 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.905 179.452 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.485 ' HB2' ' O ' ' A' ' 62' ' ' SER . 8.4 m-85 -52.2 -55.69 19.5 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 175.543 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -75.92 -34.8 59.92 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.837 -176.789 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.51 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 64.7 m170 -76.16 -33.0 59.36 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.613 -176.358 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.498 ' HB2' ' CE2' ' A' ' 64' ' ' TRP . 10.2 tt0 -69.02 -31.9 71.04 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.701 0.286 . . . . 0.0 110.537 176.836 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -59.63 -32.69 70.66 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.054 0.454 . . . . 0.0 110.291 173.655 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -110.93 16.12 21.41 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 116.05 -0.523 . . . . 0.0 112.072 -177.067 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.51 ' HB2' ' O ' ' A' ' 67' ' ' HIS . 10.7 ttmm -131.39 -156.88 0.78 Allowed 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 -179.966 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 26' ' ' VAL . 6.4 mp . . . . . 0 N--CA 1.463 0.215 0 CA-C-O 121.157 0.503 . . . . 0.0 110.959 -176.956 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.435 ' HA ' ' OE1' ' A' ' 32' ' ' GLN . 46.7 t . . . . . 0 N--CA 1.45 -0.445 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 . . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 71.4 m -113.29 117.81 32.87 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.337 -177.564 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 21.2 p -94.94 -25.1 16.68 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.372 0.606 . . . . 0.0 109.942 175.117 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -102.49 159.05 15.78 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.119 172.839 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 91.1 mt -134.04 152.37 51.81 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.646 -0.252 . . . . 0.0 110.658 -177.652 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -69.53 -39.6 77.41 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 176.265 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.431 HH11 ' HD3' ' A' ' 15' ' ' ARG . 48.1 mtt180 73.32 -44.02 0.57 Allowed 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 115.118 -0.946 . . . . 0.0 112.674 173.277 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -85.97 159.45 54.39 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-O 120.638 0.256 . . . . 0.0 111.128 -177.461 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_exo -64.7 149.56 89.56 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 123.046 2.498 . . . . 0.0 113.204 179.455 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.74 ' HB3' HD12 ' A' ' 22' ' ' LEU . 81.8 mt -100.56 154.19 18.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.941 177.456 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.602 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 19.1 m -92.32 148.11 22.39 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.115 -178.926 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.479 ' HA ' HD12 ' A' ' 23' ' ' LEU . 5.5 m-20 -55.83 -30.16 60.97 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.858 179.771 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.632 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 7.9 mtpm? -60.98 -45.69 93.78 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.081 -179.242 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.74 HD12 ' HB3' ' A' ' 18' ' ' LEU . 4.3 pp -75.01 -29.79 60.95 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.238 176.357 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.563 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 82.7 mt -64.39 -26.83 68.63 Favored 'General case' 0 C--O 1.223 -0.291 0 CA-C-N 116.003 -0.544 . . . . 0.0 112.165 -176.129 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.632 ' HG2' ' O ' ' A' ' 21' ' ' LYS . 13.3 ptm180 -67.0 -6.78 18.31 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 121.119 0.485 . . . . 0.0 111.081 -179.153 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.472 ' HB3' HE22 ' A' ' 49' ' ' GLN . 35.1 mtmm -108.47 -4.71 17.05 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.328 -179.108 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.88 HG23 ' HG ' ' A' ' 47' ' ' LEU . 21.4 t -80.52 90.02 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 179.953 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.509 HD11 ' HB3' ' A' ' 48' ' ' ALA . 23.9 pt -69.14 -30.98 48.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 115.164 -0.926 . . . . 0.0 112.687 -171.966 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -150.17 159.32 44.51 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.039 0.447 . . . . 0.0 111.052 -177.721 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.528 HG21 HE22 ' A' ' 68' ' ' GLN . 47.9 t -115.98 125.9 73.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.122 177.561 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.482 ' HG3' ' HB ' ' A' ' 44' ' ' VAL . 5.4 pt-20 -127.37 168.9 14.2 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 179.039 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -145.77 142.11 28.6 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.533 0.682 . . . . 0.0 112.117 -176.544 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.573 ' OE1' ' HB2' ' A' ' 38' ' ' CYS . 7.4 tt0 -85.38 116.71 23.87 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 114.754 -1.112 . . . . 0.0 108.831 171.828 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.469 ' C ' ' H ' ' A' ' 35' ' ' ASP . 40.8 mt-10 -74.52 152.85 39.31 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 178.56 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.417 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . . . -74.25 21.24 0.1 Allowed 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 -171.552 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.469 ' H ' ' C ' ' A' ' 33' ' ' GLU . 33.0 t70 174.96 -23.18 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 123.229 0.612 . . . . 0.0 109.402 -178.409 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -59.9 -23.79 59.55 Favored Glycine 0 C--N 1.331 0.303 0 CA-C-N 115.443 -0.799 . . . . 0.0 113.139 -179.085 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -137.03 -56.71 0.72 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.333 0.587 . . . . 0.0 109.495 177.743 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.573 ' HB2' ' OE1' ' A' ' 32' ' ' GLN . 84.5 m -131.72 -179.25 5.27 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.485 175.839 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -83.18 13.94 3.83 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 114.382 1.253 . . . . 0.0 114.382 -164.947 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -145.12 166.55 25.09 Favored 'General case' 0 C--N 1.321 -0.632 0 O-C-N 121.655 -0.653 . . . . 0.0 110.95 179.337 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.456 ' HA ' ' O ' ' A' ' 32' ' ' GLN . 50.4 tt0 -105.6 131.01 53.52 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.509 -179.786 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -153.56 132.33 12.34 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.292 178.516 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.434 ' O ' HG21 ' A' ' 54' ' ' ILE . 57.6 m-85 -84.75 125.78 32.85 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 175.54 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.482 ' HB ' ' HG3' ' A' ' 30' ' ' GLU . 24.7 t -106.69 114.18 45.17 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.917 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.652 -176.483 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.623 HD11 HD12 ' A' ' 18' ' ' LEU . 19.0 mt -84.67 119.81 25.67 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 -179.471 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -97.05 103.51 15.44 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.127 -169.297 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.88 ' HG ' HG23 ' A' ' 26' ' ' VAL . 5.7 mp -99.29 2.16 45.24 Favored 'General case' 0 C--O 1.213 -0.843 0 CA-C-O 121.053 0.454 . . . . 0.0 110.689 -178.468 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.509 ' HB3' HD11 ' A' ' 27' ' ' ILE . . . 78.72 -67.12 0.17 Allowed 'General case' 0 C--N 1.304 -1.408 0 CA-C-N 114.561 -1.2 . . . . 0.0 110.982 173.427 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.472 HE22 ' HB3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -75.82 -16.14 60.13 Favored 'General case' 0 CA--C 1.516 -0.328 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 171.449 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.805 ' HB2' ' HB2' ' A' ' 47' ' ' LEU . 30.7 mtt180 -128.72 163.57 24.84 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 114.816 -1.083 . . . . 0.0 111.14 174.401 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 63.5 m -151.81 123.33 7.86 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 167.775 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 79.8 mt -118.67 137.32 53.02 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.222 -173.255 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 18.4 m -101.21 120.41 40.19 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 -177.758 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.52 HD11 HD21 ' A' ' 58' ' ' ASN . 5.5 tt -115.72 147.43 19.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.492 -172.806 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 19.6 t-80 -71.67 126.23 91.58 Favored Pre-proline 0 C--N 1.322 -0.619 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 176.068 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_exo -44.56 -47.43 11.26 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 123.239 2.626 . . . . 0.0 113.002 -177.876 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -84.12 71.14 10.6 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.103 177.625 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.52 HD21 HD11 ' A' ' 54' ' ' ILE . 64.9 t30 -135.99 120.89 13.22 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 116.24 -0.436 . . . . 0.0 109.826 177.064 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -51.05 -30.91 33.01 Favored 'Trans proline' 0 C--O 1.234 0.292 0 C-N-CA 123.495 2.797 . . . . 0.0 113.197 -178.567 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.5 m -62.18 -30.83 71.33 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.568 -177.619 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.501 HD12 HD23 ' A' ' 45' ' ' LEU . 37.8 tp -75.48 -38.82 59.31 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.836 -0.345 . . . . 0.0 110.169 -178.042 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.8 m -60.18 -45.85 91.73 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 121.479 0.657 . . . . 0.0 109.355 174.094 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -61.06 -39.76 91.1 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.523 175.929 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.685 ' CZ2' ' HB ' ' A' ' 26' ' ' VAL . 7.6 t-105 -62.11 -37.3 84.58 Favored 'General case' 0 C--O 1.22 -0.461 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.134 -178.857 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -61.48 -39.84 92.38 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.458 -0.497 . . . . 0.0 110.368 177.265 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -66.32 -47.05 74.78 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 121.6 0.714 . . . . 0.0 110.122 175.115 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.555 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 23.0 m170 -72.44 -39.75 67.6 Favored 'General case' 0 C--O 1.22 -0.471 0 CA-C-N 115.133 -0.94 . . . . 0.0 111.8 -172.139 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.528 HE22 HG21 ' A' ' 29' ' ' VAL . 3.4 pt20 -62.35 -33.78 75.38 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 178.029 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -61.9 -30.79 71.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.422 178.925 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -113.82 19.51 16.59 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.732 -178.968 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.555 ' HB2' ' O ' ' A' ' 67' ' ' HIS . 10.1 ttmm -131.17 -163.71 1.35 Allowed 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 -177.965 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.474 HD21 ' O ' ' A' ' 26' ' ' VAL . 9.9 mp . . . . . 0 C--O 1.232 0.167 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -176.793 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.489 ' HA ' ' OE1' ' A' ' 32' ' ' GLN . 10.9 t . . . . . 0 N--CA 1.45 -0.448 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 . . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 23.5 t -126.0 126.93 45.11 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.28 -170.121 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 38.9 p -96.83 -44.79 6.91 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.712 -175.562 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.23 102.55 7.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.791 0.329 . . . . 0.0 110.454 -179.617 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 79.0 mt -95.33 133.29 39.41 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.541 -179.755 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.476 ' CE2' ' HB2' ' A' ' 16' ' ' LYS . 22.9 t80 -60.63 -46.8 88.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.335 -178.417 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 68.1 mtp180 69.82 2.16 3.73 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.852 173.772 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.476 ' HB2' ' CE2' ' A' ' 14' ' ' TYR . 14.3 mmmm -122.79 153.2 63.39 Favored Pre-proline 0 C--N 1.32 -0.706 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 179.441 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.845 ' HA ' ' HB2' ' A' ' 60' ' ' SER . 39.0 Cg_exo -61.56 136.73 64.84 Favored 'Trans proline' 0 C--O 1.234 0.301 0 C-N-CA 122.46 2.107 . . . . 0.0 111.977 176.075 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.512 ' HB3' HD13 ' A' ' 22' ' ' LEU . 76.8 mt -86.82 155.42 20.29 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.866 0.365 . . . . 0.0 110.691 -179.104 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.676 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 19.6 m -70.45 138.77 51.46 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.325 178.695 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.534 ' HA ' HD13 ' A' ' 23' ' ' LEU . 1.0 OUTLIER -65.94 -28.12 68.68 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.644 -0.253 . . . . 0.0 110.888 -176.069 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.678 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 27.6 mtpp -61.91 -44.33 97.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.013 179.361 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.676 ' HG ' ' O ' ' A' ' 19' ' ' SER . 4.3 pp -72.97 -26.6 61.42 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.198 178.165 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.534 HD13 ' HA ' ' A' ' 20' ' ' ASP . 75.5 mt -63.01 -31.77 72.99 Favored 'General case' 0 C--O 1.223 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.606 -178.959 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.678 ' HG2' ' O ' ' A' ' 21' ' ' LYS . 14.9 ptm180 -68.18 -1.1 5.43 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-O 121.218 0.533 . . . . 0.0 111.15 179.499 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 52.4 mtmt -118.59 4.27 11.69 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.821 -179.254 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.847 HG22 ' HG ' ' A' ' 47' ' ' LEU . 44.5 t -90.02 105.09 15.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 177.623 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.465 ' HA ' HD21 ' A' ' 72' ' ' LEU . 22.1 pt -89.09 -23.77 6.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 -170.233 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.484 ' HA ' ' OE1' ' A' ' 28' ' ' GLN . 15.8 mm-40 -142.03 155.6 45.41 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.023 0.439 . . . . 0.0 111.917 -176.353 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 35.7 t -116.91 125.2 73.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.162 176.632 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -112.22 122.34 47.47 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.973 0.416 . . . . 0.0 110.333 -173.505 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 15.1 tp -101.14 114.47 28.45 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.56 0.695 . . . . 0.0 111.412 -175.885 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.514 ' O ' ' HA ' ' A' ' 41' ' ' GLN . 7.0 tt0 -90.74 120.55 31.88 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 114.918 -1.037 . . . . 0.0 108.826 173.904 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -96.71 155.46 16.76 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 -179.219 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.07 -13.97 8.44 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 -171.762 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -149.46 11.74 0.79 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.602 0.715 . . . . 0.0 109.49 176.986 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.453 ' O ' ' HB2' ' A' ' 37' ' ' ASP . . . -98.77 97.27 1.84 Allowed Glycine 0 N--CA 1.444 -0.772 0 CA-C-N 115.094 -0.957 . . . . 0.0 111.202 178.837 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.453 ' HB2' ' O ' ' A' ' 36' ' ' GLY . 1.5 m-20 74.71 -10.14 1.23 Allowed 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 123.388 0.675 . . . . 0.0 111.923 -178.232 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.0 t -153.95 -166.76 2.46 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.511 0.196 . . . . 0.0 110.552 -179.971 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 31.1 p-80 -121.91 20.06 10.86 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -175.233 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -155.6 161.89 40.74 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 176.421 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.514 ' HA ' ' O ' ' A' ' 32' ' ' GLN . 7.8 tt0 -101.36 138.29 38.57 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.757 0.313 . . . . 0.0 110.628 178.762 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.547 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -161.51 145.98 13.17 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.622 174.745 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.64 ' CB ' ' HG ' ' A' ' 61' ' ' LEU . 38.8 m-85 -98.05 102.65 14.45 Favored 'General case' 0 C--N 1.314 -0.953 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 173.155 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 58.4 t -96.4 136.69 26.44 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.004 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.716 -175.229 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.511 HD11 HD13 ' A' ' 18' ' ' LEU . 52.5 mt -102.3 123.85 46.84 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 121.242 0.544 . . . . 0.0 111.253 -176.099 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.417 ' HB3' ' HB2' ' A' ' 28' ' ' GLN . 54.2 t-80 -98.77 104.5 16.54 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.477 -175.457 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.847 ' HG ' HG22 ' A' ' 26' ' ' VAL . 5.7 mp -81.89 171.6 14.28 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.092 176.154 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.36 -16.15 59.57 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 112.481 0.549 . . . . 0.0 112.481 -174.81 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.67 5.99 2.93 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.64 -0.424 . . . . 0.0 112.045 -176.502 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -171.0 177.98 3.54 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 120.686 -0.406 . . . . 0.0 111.515 -172.896 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 62.3 m -140.35 136.44 33.18 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.811 0.338 . . . . 0.0 110.762 177.439 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 64.2 mt -117.38 138.2 48.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 178.395 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 48.5 m -101.76 121.59 42.36 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.358 0.599 . . . . 0.0 111.314 -170.935 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.539 ' HB ' ' O ' ' A' ' 43' ' ' PHE . 16.3 mt -115.92 135.42 56.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.698 -175.387 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 50.6 t-80 -60.15 130.43 89.22 Favored Pre-proline 0 C--O 1.225 -0.233 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 173.157 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.547 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 78.1 Cg_exo -49.59 -48.16 20.11 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.931 2.421 . . . . 0.0 112.683 -174.41 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 24.7 mm-40 -79.41 80.61 5.77 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 174.132 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 48.1 t-20 -146.25 126.04 6.83 Favored Pre-proline 0 N--CA 1.451 -0.381 0 CA-C-N 115.483 -0.781 . . . . 0.0 109.525 178.436 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -51.72 -36.99 63.89 Favored 'Trans proline' 0 N--CA 1.465 -0.186 0 C-N-CA 123.363 2.708 . . . . 0.0 112.931 177.44 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.845 ' HB2' ' HA ' ' A' ' 17' ' ' PRO . 35.3 t -62.37 -33.05 73.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.457 -175.768 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.64 ' HG ' ' CB ' ' A' ' 43' ' ' PHE . 0.8 OUTLIER -80.14 -48.5 13.09 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 -177.686 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 18.1 t -59.7 -49.86 76.09 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-O 121.327 0.584 . . . . 0.0 110.216 179.514 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -64.36 -28.66 69.85 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.476 178.205 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.478 ' CZ3' ' HB3' ' A' ' 23' ' ' LEU . 16.3 t-105 -63.58 -42.45 98.28 Favored 'General case' 0 C--O 1.218 -0.6 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.381 177.661 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -54.71 -40.25 69.01 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.771 -0.371 . . . . 0.0 110.677 176.123 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.48 ' O ' ' HB3' ' A' ' 69' ' ' GLU . 41.8 mm-40 -66.44 -50.73 62.39 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 121.528 0.68 . . . . 0.0 111.196 174.701 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.496 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 55.1 m-70 -74.15 -30.17 62.14 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.906 -0.588 . . . . 0.0 112.34 -172.068 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.47 ' HG2' ' O ' ' A' ' 64' ' ' TRP . 12.9 pt20 -69.44 -29.72 67.49 Favored 'General case' 0 CA--C 1.518 -0.281 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 176.093 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.48 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 18.7 tp10 -59.24 -35.52 73.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.263 175.398 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 8.1 ptt180 -113.46 28.37 8.83 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.048 -0.523 . . . . 0.0 112.209 178.071 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.496 ' HB2' ' O ' ' A' ' 67' ' ' HIS . 21.5 ttmt -138.04 -168.34 2.34 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 175.511 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.491 HD21 ' O ' ' A' ' 26' ' ' VAL . 8.9 mp . . . . . 0 C--N 1.343 0.285 0 CA-C-O 121.221 0.534 . . . . 0.0 111.218 -172.062 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.443 -0.785 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 . . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 40.8 t -73.96 124.98 27.22 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.651 -1.159 . . . . 0.0 111.525 -173.26 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 33.6 p -103.76 -7.09 20.86 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.878 -179.878 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -148.3 125.87 11.74 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.529 0.68 . . . . 0.0 111.797 -178.257 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.568 HD23 ' SG ' ' A' ' 53' ' ' CYS . 63.7 mt -96.74 145.47 25.78 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.531 -0.758 . . . . 0.0 110.431 -177.474 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -78.73 -27.56 44.85 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 177.374 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.423 HH11 ' HD3' ' A' ' 15' ' ' ARG . 14.6 mmm-85 71.33 -50.95 0.69 Allowed 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 115.336 -0.847 . . . . 0.0 112.117 176.661 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 61.5 tttp -66.38 141.34 97.14 Favored Pre-proline 0 C--N 1.325 -0.487 0 C-N-CA 122.826 0.45 . . . . 0.0 111.454 -178.635 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_exo -57.56 148.05 75.38 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.776 2.317 . . . . 0.0 111.7 170.864 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.602 ' HB3' HD12 ' A' ' 22' ' ' LEU . 63.7 mt -94.29 156.37 16.56 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.931 0.396 . . . . 0.0 111.457 -174.913 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.616 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 12.8 m -81.1 138.86 35.92 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.491 178.549 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.577 ' OD1' ' HE3' ' A' ' 71' ' ' LYS . 25.0 t70 -61.57 -32.04 72.11 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.91 -176.787 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.538 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 89.4 mttt -58.63 -47.48 84.26 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.966 179.866 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.616 ' HG ' ' O ' ' A' ' 19' ' ' SER . 4.6 pp -74.55 -28.99 61.19 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.485 178.461 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.519 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 59.6 mt -61.8 -45.82 92.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.673 -178.44 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.538 ' HG2' ' O ' ' A' ' 21' ' ' LYS . 13.9 ptt180 -57.7 -8.55 0.93 Allowed 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -178.81 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.466 ' HE2' ' HA ' ' A' ' 22' ' ' LEU . 51.6 mtmt -106.31 7.93 31.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.73 0.3 . . . . 0.0 111.719 -177.91 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.498 HG22 ' HG ' ' A' ' 47' ' ' LEU . 91.7 t -75.03 138.96 19.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 174.524 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 28.0 pt -97.56 -41.55 10.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.433 -178.814 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -147.18 151.94 37.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.85 0.357 . . . . 0.0 110.328 -179.13 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.715 HG21 HE22 ' A' ' 68' ' ' GLN . 40.8 t -109.41 136.88 43.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 177.784 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -132.94 171.25 14.2 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.747 -175.42 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -146.18 139.11 25.65 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.273 178.809 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.506 ' HG2' ' O ' ' A' ' 40' ' ' LEU . 9.7 tt0 -81.21 114.48 20.05 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 171.835 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -64.51 130.72 44.8 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.353 -178.408 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.627 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . . . -70.34 -17.77 63.07 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.888 -175.435 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -141.2 -18.2 0.81 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.132 -178.374 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -71.52 -96.2 0.07 OUTLIER Glycine 0 CA--C 1.519 0.334 0 C-N-CA 121.125 -0.56 . . . . 0.0 113.485 -177.679 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -75.36 -26.53 58.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.388 0.613 . . . . 0.0 110.363 -176.477 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 60.2 m -133.07 -175.74 3.89 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.875 -178.646 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 4.8 p80 -120.09 30.11 7.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.169 0.509 . . . . 0.0 111.155 -178.131 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.506 ' O ' ' HG2' ' A' ' 32' ' ' GLN . 0.8 OUTLIER -157.12 156.65 33.1 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 174.792 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.627 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 7.3 tt0 -104.21 143.69 32.61 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.962 -0.295 . . . . 0.0 111.334 -176.871 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.554 ' HA ' ' HG3' ' A' ' 56' ' ' PRO . . . -162.14 127.58 3.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.127 173.805 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.427 ' HD2' ' HA ' ' A' ' 56' ' ' PRO . 30.2 m-85 -86.36 117.92 25.47 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 175.79 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 24.5 t -114.6 137.48 47.84 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.938 -169.403 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.527 ' N ' HD21 ' A' ' 45' ' ' LEU . 2.7 mm? -109.74 113.83 26.91 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.496 -0.774 . . . . 0.0 109.489 -175.477 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -105.33 112.81 26.06 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.791 -171.572 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.498 ' HG ' HG22 ' A' ' 26' ' ' VAL . 4.9 mp -100.67 163.44 12.34 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.642 178.495 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.27 -20.57 63.04 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.865 0.364 . . . . 0.0 111.286 -177.145 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.88 -5.37 12.04 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.352 -176.143 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -169.24 174.48 6.12 Favored 'General case' 0 C--O 1.224 -0.271 0 C-N-CA 121.016 -0.273 . . . . 0.0 110.877 -172.575 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 38.8 m -145.69 123.88 12.21 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.817 0.341 . . . . 0.0 110.378 177.313 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.513 HG21 HD21 ' A' ' 18' ' ' LEU . 54.4 mt -114.18 134.48 56.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.913 178.985 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.568 ' SG ' HD23 ' A' ' 13' ' ' LEU . 42.4 t -104.16 120.38 40.99 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 120.976 0.417 . . . . 0.0 110.412 -178.461 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.52 HG23 ' HB2' ' A' ' 61' ' ' LEU . 0.4 OUTLIER -100.95 144.94 12.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.512 0.672 . . . . 0.0 112.388 -178.526 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 40.9 t-80 -62.03 124.76 83.28 Favored Pre-proline 0 C--O 1.224 -0.272 0 CA-C-N 114.983 -1.008 . . . . 0.0 109.418 173.291 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.554 ' HG3' ' HA ' ' A' ' 42' ' ' ALA . 93.5 Cg_exo -41.95 -58.03 1.32 Allowed 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 123.341 2.694 . . . . 0.0 113.883 -174.195 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -81.45 78.8 8.18 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.792 -0.448 . . . . 0.0 109.792 175.571 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.418 ' HA ' ' HD2' ' A' ' 59' ' ' PRO . 64.1 t30 -137.84 126.18 14.36 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.399 178.307 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 58' ' ' ASN . 11.0 Cg_endo -54.79 -30.32 67.0 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 122.963 2.442 . . . . 0.0 112.238 177.873 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.531 ' HA ' ' OE1' ' A' ' 63' ' ' GLN . 11.7 t -62.25 -35.52 79.19 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.634 -179.796 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.52 ' HB2' HG23 ' A' ' 54' ' ' ILE . 1.1 tm? -71.0 -47.98 55.72 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 179.92 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.5 m -58.69 -50.66 73.05 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.941 179.557 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.531 ' OE1' ' HA ' ' A' ' 60' ' ' SER . 3.7 pt20 -65.38 -28.39 69.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.439 -178.604 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.519 ' CZ3' ' HB3' ' A' ' 23' ' ' LEU . 12.3 t-105 -68.3 -35.48 77.88 Favored 'General case' 0 C--O 1.219 -0.513 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.994 179.647 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.402 ' HA ' ' CD ' ' A' ' 68' ' ' GLN . 6.4 m-85 -62.69 -33.01 74.21 Favored 'General case' 0 C--N 1.319 -0.737 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.24 175.359 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -72.86 -48.81 34.35 Favored 'General case' 0 C--O 1.24 0.59 0 CA-C-O 121.569 0.699 . . . . 0.0 110.367 174.374 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.472 ' O ' ' HG2' ' A' ' 70' ' ' ARG . 12.3 m170 -66.35 -35.86 81.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.562 -177.489 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.715 HE22 HG21 ' A' ' 29' ' ' VAL . 2.0 pt20 -68.06 -29.25 68.17 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.765 -0.458 . . . . 0.0 109.765 179.919 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -62.81 -28.89 70.31 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.161 177.062 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.472 ' HG2' ' O ' ' A' ' 67' ' ' HIS . 8.0 ptp180 -106.57 10.68 31.12 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.534 -178.236 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.577 ' HE3' ' OD1' ' A' ' 20' ' ' ASP . 53.2 mttm -136.59 -154.77 0.57 Allowed 'General case' 0 N--CA 1.468 0.442 0 O-C-N 122.458 -0.151 . . . . 0.0 111.21 179.586 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.9 mp . . . . . 0 C--N 1.345 0.405 0 C-N-CA 123.692 0.797 . . . . 0.0 111.489 -176.12 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 7.4 t . . . . . 0 C--O 1.233 0.231 0 CA-C-O 121.89 0.853 . . . . 0.0 109.264 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 13.0 t -86.6 122.84 31.08 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 114.638 -1.165 . . . . 0.0 110.323 178.146 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.0 t -112.95 5.45 17.3 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.546 176.853 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -135.27 95.17 3.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.777 0.798 . . . . 0.0 111.134 178.413 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.667 HD21 ' SG ' ' A' ' 53' ' ' CYS . 48.5 mt -75.01 142.86 43.78 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.337 -175.756 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 16.8 t80 -75.34 -37.02 60.92 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.638 -0.505 . . . . 0.0 109.638 177.788 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 75.0 mtm180 72.17 -19.55 0.28 Allowed 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 173.327 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -90.64 155.35 45.85 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-O 120.816 0.341 . . . . 0.0 111.439 -177.327 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_endo -76.21 142.39 24.26 Favored 'Trans proline' 0 N--CA 1.461 -0.394 0 C-N-CA 122.494 2.129 . . . . 0.0 111.357 172.494 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.908 ' HB3' HD11 ' A' ' 22' ' ' LEU . 87.2 mt -96.18 144.17 26.63 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 120.945 0.403 . . . . 0.0 110.778 -176.743 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.527 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 17.3 m -70.94 143.81 50.77 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.803 -178.94 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.486 ' HA ' HD13 ' A' ' 23' ' ' LEU . 16.7 t70 -61.69 -30.66 70.89 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.172 -175.826 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.619 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 66.1 mttm -63.21 -46.78 85.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.265 179.094 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.908 HD11 ' HB3' ' A' ' 18' ' ' LEU . 4.5 pp -74.15 -26.64 60.43 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.603 -0.439 . . . . 0.0 110.027 176.874 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.486 HD13 ' HA ' ' A' ' 20' ' ' ASP . 53.7 mt -63.32 -41.63 98.92 Favored 'General case' 0 C--O 1.22 -0.476 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.174 178.223 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.619 ' HG2' ' O ' ' A' ' 21' ' ' LYS . 13.9 ptm180 -64.32 -4.37 3.73 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 121.246 0.546 . . . . 0.0 111.56 -179.084 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.402 ' HD3' ' HA ' ' A' ' 22' ' ' LEU . 40.3 mtpt -103.06 0.13 31.55 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.484 177.538 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.929 HG22 ' HG ' ' A' ' 47' ' ' LEU . 30.5 t -86.79 137.91 20.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 173.812 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 17.7 pt -114.86 -23.68 4.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -175.578 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.481 ' HB2' ' HB3' ' A' ' 46' ' ' HIS . 72.3 mm-40 -143.57 157.54 44.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.976 0.417 . . . . 0.0 111.663 -177.307 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 20.3 t -116.38 122.66 70.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 172.107 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.582 ' HG3' ' HB ' ' A' ' 44' ' ' VAL . 3.7 pt-20 -116.5 122.61 45.24 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.204 0.526 . . . . 0.0 111.02 -177.667 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 40.7 tp -93.33 121.42 34.69 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.357 -173.76 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -91.46 119.9 31.83 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.193 -0.912 . . . . 0.0 109.675 175.899 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -81.12 151.2 28.4 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.591 -176.537 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.652 ' HB1' ' HB2' ' A' ' 41' ' ' GLN . . . -75.88 -8.55 57.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.807 -173.075 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -146.25 4.09 0.92 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.43 -176.308 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -76.15 -86.96 0.33 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.421 -175.302 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -107.64 5.8 27.23 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.054 0.454 . . . . 0.0 110.058 179.915 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -157.29 154.91 29.81 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.011 -0.736 . . . . 0.0 109.011 -178.335 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -92.57 38.29 1.01 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.16 0.505 . . . . 0.0 110.905 179.969 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.5 tt -157.68 138.13 12.85 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 -176.634 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.652 ' HB2' ' HB1' ' A' ' 34' ' ' ALA . 35.6 tt0 -94.55 129.52 41.33 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.948 0.404 . . . . 0.0 110.5 179.658 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.405 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -146.38 151.95 38.3 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.852 -178.454 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.464 ' HB3' ' HG ' ' A' ' 61' ' ' LEU . 22.3 m-85 -109.83 102.45 11.23 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 173.065 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.582 ' HB ' ' HG3' ' A' ' 30' ' ' GLU . 40.9 t -96.36 133.33 38.05 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.425 -173.853 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.673 HD12 HD12 ' A' ' 18' ' ' LEU . 47.2 mt -100.74 122.96 44.25 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.298 0.57 . . . . 0.0 110.784 -179.027 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.481 ' HB3' ' HB2' ' A' ' 28' ' ' GLN . 4.8 t60 -92.85 95.95 9.83 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.068 -0.969 . . . . 0.0 110.214 -176.306 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.929 ' HG ' HG22 ' A' ' 26' ' ' VAL . 6.1 mp -76.71 166.94 22.68 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 174.556 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.35 -17.99 64.97 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 120.943 0.401 . . . . 0.0 111.184 -175.085 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.7 -19.14 10.08 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.385 -175.82 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -162.96 178.08 8.67 Favored 'General case' 0 C--O 1.22 -0.486 0 CA-C-N 116.804 -0.18 . . . . 0.0 111.001 -164.771 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 53.9 m -132.46 139.27 47.92 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.99 0.424 . . . . 0.0 110.418 174.003 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 66.5 mt -116.07 142.98 27.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 179.003 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.667 ' SG ' HD21 ' A' ' 13' ' ' LEU . 41.6 t -102.14 120.85 41.12 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.004 0.43 . . . . 0.0 110.9 -174.378 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -116.31 144.75 23.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-O 121.23 0.538 . . . . 0.0 111.037 -177.269 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 40.9 t-80 -77.54 133.25 67.43 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.359 175.794 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.522 ' O ' ' HB2' ' A' ' 57' ' ' GLN . 51.3 Cg_exo -53.95 151.85 25.58 Favored 'Trans proline' 0 CA--C 1.528 0.183 0 C-N-CA 122.467 2.111 . . . . 0.0 112.07 176.956 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.522 ' HB2' ' O ' ' A' ' 56' ' ' PRO . 20.0 mm-40 76.87 -1.76 2.79 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.01 0.524 . . . . 0.0 112.229 -178.224 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -74.92 123.94 89.25 Favored Pre-proline 0 C--N 1.326 -0.453 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 172.311 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -54.73 -26.35 46.69 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 123.451 2.767 . . . . 0.0 112.552 -175.535 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 21.3 t -60.46 -30.33 69.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.146 -179.337 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.464 ' HG ' ' HB3' ' A' ' 43' ' ' PHE . 0.3 OUTLIER -80.44 -54.63 5.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.743 0.306 . . . . 0.0 110.439 -179.317 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.556 ' O ' ' HB2' ' A' ' 65' ' ' PHE . 5.4 m -60.44 -45.92 91.9 Favored 'General case' 0 C--O 1.242 0.661 0 CA-C-O 121.447 0.642 . . . . 0.0 111.011 -177.332 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -64.7 -31.7 73.05 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.227 177.511 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.559 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 25.7 t-105 -65.58 -33.27 75.52 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.489 177.853 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.556 ' HB2' ' O ' ' A' ' 62' ' ' SER . 2.1 m-85 -52.24 -52.98 49.29 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.147 0.498 . . . . 0.0 110.279 175.614 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -79.07 -31.77 44.52 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 120.216 -0.593 . . . . 0.0 111.186 -179.071 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.525 ' HB2' ' HA ' ' A' ' 64' ' ' TRP . 9.1 m170 -63.25 -44.56 94.84 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.03 178.309 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.559 ' HG2' ' O ' ' A' ' 64' ' ' TRP . 3.9 pt20 -66.61 -31.71 72.58 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-O 120.594 0.235 . . . . 0.0 110.435 -179.59 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -54.66 -36.19 64.34 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.434 178.279 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 26.8 ptt180 -114.68 36.43 3.82 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.954 179.309 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.533 ' HD3' ' HB3' ' A' ' 24' ' ' ARG . 8.0 ttmm -144.02 -157.89 0.83 Allowed 'General case' 0 CA--C 1.535 0.378 0 O-C-N 122.106 -0.371 . . . . 0.0 110.426 -178.054 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.413 ' N ' HD11 ' A' ' 72' ' ' LEU . 7.3 mp . . . . . 0 C--N 1.344 0.329 0 C-N-CA 123.081 0.552 . . . . 0.0 111.844 -178.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 79.5 t80 . . . . . 0 N--CA 1.48 1.071 0 CA-C-O 121.082 0.467 . . . . 0.0 110.362 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.518 ' O ' ' HD3' ' A' ' 4' ' ' PRO . 2.6 pt? -153.08 144.52 23.3 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.635 -0.712 . . . . 0.0 109.1 174.594 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.411 ' HG ' ' SG ' ' A' ' 53' ' ' CYS . 4.2 mm? -81.2 109.33 13.4 Favored Pre-proline 0 C--N 1.317 -0.83 0 O-C-N 123.333 0.396 . . . . 0.0 110.138 175.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.518 ' HD3' ' O ' ' A' ' 2' ' ' LEU . 20.8 Cg_exo -65.68 141.42 66.17 Favored 'Trans proline' 0 N--CA 1.463 -0.316 0 C-N-CA 122.804 2.336 . . . . 0.0 112.267 -179.617 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.607 ' HG3' ' HE1' ' A' ' 46' ' ' HIS . 73.2 Cg_exo -50.55 130.55 30.15 Favored 'Trans proline' 0 C--O 1.235 0.34 0 C-N-CA 123.235 2.624 . . . . 0.0 112.283 177.372 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.4 p 54.9 30.25 13.56 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 123.715 0.806 . . . . 0.0 111.216 -178.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.406 ' HB ' ' HB2' ' A' ' 4' ' ' PRO . 9.2 m -132.82 47.88 2.46 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 172.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.409 ' O ' ' HG3' ' A' ' 32' ' ' GLN . . . -86.36 93.58 9.14 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 114.788 -1.096 . . . . 0.0 111.349 -172.027 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 24.4 t -125.09 63.36 1.15 Allowed 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 170.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 75.4 m -71.97 117.75 13.97 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.707 -1.133 . . . . 0.0 111.03 -176.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 16.5 p -92.51 -8.53 44.28 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.655 0.741 . . . . 0.0 109.763 171.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -120.42 157.07 30.11 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 114.938 -1.028 . . . . 0.0 110.506 178.581 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 93.5 mt -135.08 139.87 45.07 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 178.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.591 ' CE2' ' HB2' ' A' ' 16' ' ' LYS . 23.0 t80 -70.9 -46.87 61.77 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.558 -177.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 63.0 mtp180 71.23 10.37 6.73 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 171.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.591 ' HB2' ' CE2' ' A' ' 14' ' ' TYR . 2.1 mptm? -102.15 148.23 35.09 Favored Pre-proline 0 C--N 1.326 -0.431 0 C-N-CA 120.889 -0.324 . . . . 0.0 110.629 175.215 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -69.89 110.99 2.71 Favored 'Trans proline' 0 C--O 1.239 0.549 0 C-N-CA 122.247 1.965 . . . . 0.0 110.712 169.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.601 HD13 HD11 ' A' ' 45' ' ' LEU . 71.0 mt -69.05 144.33 54.04 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.082 0.468 . . . . 0.0 111.123 -173.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.636 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 9.4 m -71.59 131.76 43.68 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.357 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.529 ' HA ' HD11 ' A' ' 23' ' ' LEU . 33.7 t70 -58.73 -28.45 65.86 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.311 0.577 . . . . 0.0 110.724 -178.024 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.587 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 90.6 mttt -59.03 -48.2 82.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.199 -0.909 . . . . 0.0 110.641 177.684 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.636 ' HG ' ' O ' ' A' ' 19' ' ' SER . 4.2 pp -75.3 -27.72 59.44 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.365 176.032 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.581 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 70.5 mt -61.77 -36.29 80.62 Favored 'General case' 0 C--O 1.225 -0.205 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.533 -178.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.587 ' HG2' ' O ' ' A' ' 21' ' ' LYS . 13.2 ptm180 -63.88 -0.42 1.07 Allowed 'General case' 0 N--CA 1.47 0.559 0 O-C-N 122.101 -0.375 . . . . 0.0 111.72 179.527 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.416 ' H ' ' C ' ' A' ' 23' ' ' LEU . 55.5 mtmt -114.32 7.29 16.38 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.882 177.301 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 1.006 HG22 ' HG ' ' A' ' 47' ' ' LEU . 43.1 t -92.26 89.47 2.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 121.242 0.544 . . . . 0.0 109.689 178.192 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 26.4 pt -75.68 -15.92 15.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.591 -0.732 . . . . 0.0 112.72 -171.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.584 ' HB2' ' HB3' ' A' ' 46' ' ' HIS . 68.5 mm-40 -142.68 151.36 41.31 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.205 0.526 . . . . 0.0 112.007 -175.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.608 HG23 HE22 ' A' ' 68' ' ' GLN . 54.0 t -120.16 115.19 46.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 170.454 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.602 ' HG3' HG22 ' A' ' 44' ' ' VAL . 6.5 pt-20 -110.34 120.75 43.44 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.747 0.784 . . . . 0.0 111.143 -175.571 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 44.5 tp -84.48 120.56 26.46 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 114.895 -1.048 . . . . 0.0 110.808 -177.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.567 ' NE2' ' HG ' ' A' ' 40' ' ' LEU . 45.2 tt0 -80.23 104.29 10.68 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.342 173.63 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -69.88 141.37 53.19 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.516 -179.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.616 ' HB1' ' HB2' ' A' ' 41' ' ' GLN . . . -75.89 4.3 8.42 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.786 -176.216 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -159.29 -39.81 0.06 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.128 178.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -69.82 -7.1 58.26 Favored Glycine 0 CA--C 1.521 0.408 0 CA-C-N 115.664 -0.698 . . . . 0.0 113.89 -176.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -149.19 -49.53 0.15 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 117.551 0.676 . . . . 0.0 110.863 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 44.8 t -127.39 179.47 5.46 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 178.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 28.3 p-80 -93.99 9.64 36.71 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.757 0.313 . . . . 0.0 111.627 -178.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.567 ' HG ' ' NE2' ' A' ' 32' ' ' GLN . 0.6 OUTLIER -149.82 163.19 38.68 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 174.111 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.616 ' HB2' ' HB1' ' A' ' 34' ' ' ALA . 50.5 tt0 -99.91 139.16 35.98 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.895 0.378 . . . . 0.0 111.126 -176.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.586 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -153.19 150.68 29.28 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.638 177.044 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.548 ' O ' ' HB ' ' A' ' 54' ' ' ILE . 15.3 m-85 -106.62 99.51 9.08 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 172.553 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.602 HG22 ' HG3' ' A' ' 30' ' ' GLU . 0.8 OUTLIER -107.55 141.81 21.83 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 C-N-CA 120.048 -0.661 . . . . 0.0 109.917 -175.088 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.601 HD11 HD13 ' A' ' 18' ' ' LEU . 58.0 mt -100.05 132.24 45.52 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.372 -172.413 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.607 ' HE1' ' HG3' ' A' ' 5' ' ' PRO . 22.9 t60 -101.95 101.4 11.81 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.763 -175.2 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 1.006 ' HG ' HG22 ' A' ' 26' ' ' VAL . 5.2 mp -81.94 168.38 17.95 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 173.713 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -76.41 1.38 16.52 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-O 120.804 0.335 . . . . 0.0 111.529 -175.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.24 -2.36 2.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.003 -178.421 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.403 ' HG3' HD11 ' A' ' 47' ' ' LEU . 8.8 ptp180 -175.73 170.95 2.79 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 120.959 -0.296 . . . . 0.0 111.618 -169.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 59.0 m -133.56 138.75 46.2 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.777 172.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.402 ' O ' ' HB ' ' A' ' 44' ' ' VAL . 61.5 mt -119.45 144.0 29.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 -178.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.548 ' HA ' ' HB ' ' A' ' 44' ' ' VAL . 33.8 m -100.64 121.8 42.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.417 0.627 . . . . 0.0 110.552 -173.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.548 ' HB ' ' O ' ' A' ' 43' ' ' PHE . 6.2 mt -118.45 141.59 37.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.22 -176.239 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.482 ' CE1' ' HB2' ' A' ' 57' ' ' GLN . 36.1 t-80 -61.59 129.69 91.49 Favored Pre-proline 0 C--N 1.331 -0.196 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.486 174.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.586 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 5.4 Cg_endo -49.49 -43.17 39.85 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.797 2.332 . . . . 0.0 112.393 -177.641 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.482 ' HB2' ' CE1' ' A' ' 55' ' ' HIS . 3.1 mp0 -87.32 82.14 7.68 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 173.046 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.413 ' HA ' ' HD2' ' A' ' 59' ' ' PRO . 64.8 t30 -144.38 126.01 8.04 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 116.638 -0.256 . . . . 0.0 110.603 177.6 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.43 ' O ' ' HG3' ' A' ' 63' ' ' GLN . 9.3 Cg_endo -53.75 -30.81 58.36 Favored 'Trans proline' 0 CA--C 1.531 0.355 0 C-N-CA 123.266 2.644 . . . . 0.0 112.783 178.697 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.3 t -63.3 -33.47 75.59 Favored 'General case' 0 N--CA 1.462 0.129 0 C-N-CA 121.165 -0.214 . . . . 0.0 110.887 -178.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.45 -43.67 31.62 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.501 ' HB3' ' HA ' ' A' ' 86' ' ' LYS . 67.9 m -60.39 -49.28 78.21 Favored 'General case' 0 C--O 1.241 0.634 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.538 177.657 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.43 ' HG3' ' O ' ' A' ' 59' ' ' PRO . 47.3 mt-30 -61.42 -31.51 71.45 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-O 121.004 0.43 . . . . 0.0 109.951 177.377 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.612 ' CH2' HD22 ' A' ' 72' ' ' LEU . 15.3 t-105 -67.17 -30.28 70.21 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.771 -179.664 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -61.02 -41.92 97.48 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.979 0.418 . . . . 0.0 110.157 174.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -66.51 -49.93 64.9 Favored 'General case' 0 C--O 1.239 0.552 0 CA-C-O 121.91 0.862 . . . . 0.0 109.99 176.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 13.6 m170 -66.12 -44.66 83.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.973 -1.012 . . . . 0.0 111.505 -174.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.608 HE22 HG23 ' A' ' 29' ' ' VAL . 2.7 pt20 -64.25 -28.95 70.08 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.996 0.427 . . . . 0.0 110.287 -177.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -68.17 -23.0 64.81 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.688 179.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 17.8 ptp180 -111.82 -3.47 14.92 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -178.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.582 ' HZ1' ' HB3' ' A' ' 24' ' ' ARG . 23.5 mtpp -121.41 -153.27 0.54 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.667 -0.242 . . . . 0.0 110.542 -177.548 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.612 HD22 ' CH2' ' A' ' 64' ' ' TRP . 2.5 mm? 53.39 20.97 2.17 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 112.991 0.737 . . . . 0.0 112.991 -177.201 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 50.8 t-80 68.54 -4.38 1.15 Allowed 'General case' 0 CA--C 1.536 0.414 0 O-C-N 123.36 0.413 . . . . 0.0 111.491 176.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 103.39 25.55 7.32 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.831 -178.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 25.4 p -119.29 118.86 32.38 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 117.016 0.408 . . . . 0.0 110.777 176.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.41 HD12 ' HG3' ' A' ' 68' ' ' GLN . 21.7 mt -144.31 157.11 57.07 Favored Pre-proline 0 N--CA 1.45 -0.464 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.218 -179.615 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -84.49 -179.23 3.72 Favored 'Trans proline' 0 N--CA 1.46 -0.491 0 C-N-CA 123.272 2.648 . . . . 0.0 112.208 178.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm -85.83 78.02 9.61 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.129 0.49 . . . . 0.0 110.627 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.406 ' HB3' ' HD2' ' A' ' 81' ' ' PHE . 75.1 mt -103.18 114.33 28.54 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.474 177.394 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 47.8 m-80 -91.31 58.2 3.58 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 177.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.411 ' HA ' ' SD ' ' A' ' 83' ' ' MET . 37.9 p90 -80.63 36.28 0.38 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.924 -1.034 . . . . 0.0 111.694 -172.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -73.22 -10.7 78.85 Favored Glycine 0 N--CA 1.448 -0.511 0 CA-C-N 115.888 -0.597 . . . . 0.0 112.747 -176.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.411 ' SD ' ' HA ' ' A' ' 81' ' ' PHE . 0.0 OUTLIER -78.41 -14.23 59.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.013 0.435 . . . . 0.0 110.56 178.413 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.4 mp -111.13 -81.99 0.58 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.629 175.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.454 ' C ' ' H ' ' A' ' 87' ' ' MET . 81.9 mtt180 42.44 68.91 0.42 Allowed 'General case' 0 N--CA 1.469 0.524 0 O-C-N 123.549 0.53 . . . . 0.0 112.314 -178.02 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.501 ' HA ' ' HB3' ' A' ' 62' ' ' SER . 52.4 tptt 73.55 -25.07 0.2 Allowed 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 175.27 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.454 ' H ' ' C ' ' A' ' 85' ' ' ARG . 54.5 mtm -84.9 26.14 0.87 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.977 0.418 . . . . 0.0 111.059 -177.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.087 0 CA-C-O 118.187 -1.34 . . . . 0.0 111.04 176.772 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 27.7 p90 . . . . . 0 N--CA 1.478 0.932 0 CA-C-O 121.359 0.599 . . . . 0.0 110.722 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 9.8 tt -107.74 116.64 32.32 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 172.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.719 ' HB2' ' HG ' ' A' ' 51' ' ' SER . 3.8 mm? -70.15 116.46 44.71 Favored Pre-proline 0 C--N 1.324 -0.526 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 176.584 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.403 ' HB2' ' HB ' ' A' ' 7' ' ' THR . 75.3 Cg_exo -50.09 138.68 35.73 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 123.16 2.574 . . . . 0.0 112.337 -179.268 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.427 ' HA ' ' CE1' ' A' ' 46' ' ' HIS . 79.6 Cg_exo -49.22 120.93 6.16 Favored 'Trans proline' 0 C--O 1.235 0.356 0 C-N-CA 123.341 2.694 . . . . 0.0 113.041 -177.205 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.8 m 67.03 16.04 10.25 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.283 177.154 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.403 ' HB ' ' HB2' ' A' ' 4' ' ' PRO . 5.3 m -111.61 67.03 0.64 Allowed 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 173.221 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -93.29 108.74 20.33 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.253 -0.885 . . . . 0.0 112.263 -169.059 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 38.0 t -145.74 99.13 3.23 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.466 -0.788 . . . . 0.0 108.937 170.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 71.4 m -106.21 130.61 54.05 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.179 0.514 . . . . 0.0 111.528 -174.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.9 p -97.9 4.76 49.52 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.496 176.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -144.99 158.64 43.75 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.325 179.119 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.416 HD12 ' HB2' ' A' ' 55' ' ' HIS . 82.3 mt -137.48 143.96 42.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.048 0.451 . . . . 0.0 110.934 -177.016 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -81.82 -36.76 28.0 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.3 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 72.48 -59.36 0.56 Allowed 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.798 0.839 . . . . 0.0 112.294 177.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.403 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 26.9 mtpp -62.24 149.77 86.26 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 115.769 -0.65 . . . . 0.0 112.006 -171.52 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.519 ' HA ' ' HG ' ' A' ' 60' ' ' SER . 24.3 Cg_exo -63.85 122.69 10.83 Favored 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 122.913 2.408 . . . . 0.0 112.063 176.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.756 HD11 HD13 ' A' ' 45' ' ' LEU . 80.9 mt -76.05 172.63 12.44 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.343 179.356 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.471 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 31.7 t -93.63 142.97 26.75 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.735 0.302 . . . . 0.0 110.491 179.307 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -59.07 -28.87 66.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.194 178.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.437 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 58.5 mttp -57.17 -44.99 84.05 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.69 177.646 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.4 ' HG ' ' HB3' ' A' ' 19' ' ' SER . 0.6 OUTLIER -73.95 -35.07 64.51 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-O 121.512 0.672 . . . . 0.0 109.335 -179.737 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 19' ' ' SER . 79.0 mt -64.98 -36.36 84.14 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.856 -1.065 . . . . 0.0 111.77 -173.758 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.678 ' HB3' ' HD3' ' A' ' 71' ' ' LYS . 15.6 ptt180 -70.75 4.04 2.79 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 121.057 0.456 . . . . 0.0 111.274 179.248 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.404 ' H ' ' C ' ' A' ' 23' ' ' LEU . 33.4 mtmt -114.89 6.45 15.41 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.128 178.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.564 ' O ' HD12 ' A' ' 72' ' ' LEU . 13.6 t -74.77 141.8 15.5 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.703 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.356 177.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.618 HD11 ' HA ' ' A' ' 48' ' ' ALA . 13.6 pt -107.67 -23.51 4.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.327 -179.702 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -155.17 154.32 32.12 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.293 0.568 . . . . 0.0 112.106 -177.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.468 HG12 HE22 ' A' ' 68' ' ' GLN . 0.0 OUTLIER -120.21 116.81 51.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.411 170.847 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -122.15 154.49 37.36 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.225 0.536 . . . . 0.0 111.36 -177.43 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 66.3 tp -119.94 124.37 45.82 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.086 -178.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.55 ' O ' ' HA ' ' A' ' 41' ' ' GLN . 48.2 tt0 -81.84 115.62 21.13 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 168.782 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -83.09 151.86 25.58 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.742 0.306 . . . . 0.0 110.821 -175.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.6 -2.17 18.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.525 -175.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -147.96 -30.41 0.3 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.836 176.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -70.99 94.38 0.53 Allowed Glycine 0 N--CA 1.449 -0.456 0 CA-C-N 115.832 -0.622 . . . . 0.0 112.744 177.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.7 t70 99.03 -40.68 0.01 OUTLIER 'General case' 0 CA--C 1.507 -0.703 0 C-N-CA 125.234 1.414 . . . . 0.0 108.68 170.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 99.2 m -143.48 171.36 14.26 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 114.74 -1.118 . . . . 0.0 109.955 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 27.3 t60 -106.67 64.86 0.66 Allowed 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 121.064 -0.254 . . . . 0.0 111.523 -175.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.527 ' O ' ' HG2' ' A' ' 32' ' ' GLN . 1.1 pp 178.49 149.7 0.23 Allowed 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 171.188 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.55 ' HA ' ' O ' ' A' ' 32' ' ' GLN . 9.3 tt0 -99.3 136.91 38.56 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.742 0.306 . . . . 0.0 110.984 -176.749 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -156.13 136.4 13.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.883 178.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -92.77 122.07 34.8 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 174.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 41.8 t -110.55 122.27 64.78 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-O 121.116 0.484 . . . . 0.0 111.201 -173.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.756 HD13 HD11 ' A' ' 18' ' ' LEU . 50.8 mt -94.61 115.97 28.2 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.731 178.382 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.427 ' CE1' ' HA ' ' A' ' 5' ' ' PRO . 2.7 t-160 -102.86 102.89 13.02 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.367 -170.084 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.5 ' HA ' ' HA ' ' A' ' 26' ' ' VAL . 6.2 mp -85.71 159.17 19.86 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 172.4 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.618 ' HA ' HD11 ' A' ' 27' ' ' ILE . . . -64.18 -20.98 66.38 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.897 0.379 . . . . 0.0 111.617 -177.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -89.16 -47.78 7.85 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.228 0.537 . . . . 0.0 109.803 -178.779 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.42 ' O ' ' HB2' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -165.27 167.88 17.51 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.333 -0.849 . . . . 0.0 109.855 -179.075 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.719 ' HG ' ' HB2' ' A' ' 3' ' ' LEU . 3.6 p -108.59 153.45 23.37 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.037 0.446 . . . . 0.0 111.339 -176.235 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 73.0 mt -120.8 136.93 56.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.266 177.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 46.1 m -102.28 121.51 42.42 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.934 0.397 . . . . 0.0 110.073 -175.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.467 HG23 HD22 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -114.17 145.71 19.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-O 121.148 0.499 . . . . 0.0 110.779 -176.208 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.416 ' HB2' HD12 ' A' ' 13' ' ' LEU . 50.6 t-80 -71.21 133.92 85.33 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.144 174.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 55' ' ' HIS . 24.0 Cg_exo -64.7 179.18 1.42 Allowed 'Trans proline' 0 CA--C 1.528 0.213 0 C-N-CA 122.562 2.175 . . . . 0.0 111.867 177.547 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 23.8 mp0 56.12 28.74 13.46 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 121.203 0.525 . . . . 0.0 110.357 -176.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.415 ' HB2' ' O ' ' A' ' 55' ' ' HIS . 64.1 t30 -113.36 127.75 26.46 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.053 -171.761 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -52.37 -33.5 56.53 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 123.273 2.649 . . . . 0.0 113.361 178.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.519 ' HG ' ' HA ' ' A' ' 17' ' ' PRO . 1.4 m -55.76 -57.29 12.66 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-O 120.941 0.4 . . . . 0.0 111.0 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.467 HD22 HG23 ' A' ' 54' ' ' ILE . 0.1 OUTLIER -62.2 -36.79 82.99 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.972 178.009 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.516 ' HA ' ' CD2' ' A' ' 65' ' ' PHE . 19.6 m -61.36 -50.81 71.42 Favored 'General case' 0 C--O 1.245 0.863 0 CA-C-O 121.594 0.712 . . . . 0.0 110.875 -178.612 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -60.67 -36.56 79.04 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.364 -0.835 . . . . 0.0 109.874 176.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.487 ' HA ' ' HB2' ' A' ' 67' ' ' HIS . 10.5 t-105 -67.65 -30.28 69.79 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.053 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.534 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 15.3 m-85 -53.63 -52.09 61.01 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.043 0.449 . . . . 0.0 110.406 175.046 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.427 ' O ' ' HB3' ' A' ' 69' ' ' GLU . 8.4 mm-40 -79.15 -32.06 44.24 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.415 -0.514 . . . . 0.0 111.943 -179.369 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.487 ' HB2' ' HA ' ' A' ' 64' ' ' TRP . 7.6 m170 -67.39 -35.43 79.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.969 178.367 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.534 ' HG2' ' O ' ' A' ' 65' ' ' PHE . 1.8 pt20 -74.72 -27.09 60.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.216 0.531 . . . . 0.0 110.124 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.427 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 15.0 tp10 -59.35 -33.34 71.03 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.117 175.759 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -113.25 30.95 6.8 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.366 -177.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.678 ' HD3' ' HB3' ' A' ' 24' ' ' ARG . 12.6 ttmm -149.89 -150.13 0.33 Allowed 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 110.217 -0.29 . . . . 0.0 110.217 -176.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.564 HD12 ' O ' ' A' ' 26' ' ' VAL . 2.2 mm? 49.19 35.02 6.66 Favored 'General case' 0 N--CA 1.466 0.375 0 N-CA-C 112.878 0.696 . . . . 0.0 112.878 -176.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 86.2 t60 67.99 5.87 4.83 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 121.2 0.524 . . . . 0.0 110.934 175.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 80.4 43.14 9.64 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.945 -0.645 . . . . 0.0 111.788 -177.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.484 ' O ' ' HB2' ' A' ' 76' ' ' LEU . 37.8 p -98.53 -164.0 1.09 Allowed 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 174.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.484 ' HB2' ' O ' ' A' ' 75' ' ' THR . 96.8 mt 80.31 154.13 0.13 Allowed Pre-proline 0 C--N 1.323 -0.55 0 O-C-N 123.905 0.753 . . . . 0.0 111.877 171.288 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.489 ' HB2' ' CD2' ' A' ' 79' ' ' LEU . 72.4 Cg_endo -82.74 111.46 2.0 Allowed 'Trans proline' 0 N--CA 1.453 -0.856 0 C-N-CA 122.89 2.393 . . . . 0.0 111.187 174.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 63.3 mttm -76.44 92.29 3.38 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.584 0.706 . . . . 0.0 111.541 -174.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.489 ' CD2' ' HB2' ' A' ' 77' ' ' PRO . 0.8 OUTLIER -161.64 -162.53 0.88 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.758 -1.11 . . . . 0.0 108.875 179.733 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.76 ' HA ' ' HB2' ' A' ' 85' ' ' ARG . 0.7 OUTLIER -77.99 44.52 0.48 Allowed 'General case' 0 C--N 1.312 -1.034 0 CA-C-O 120.992 0.425 . . . . 0.0 110.607 174.158 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 34.8 p90 -67.5 -26.32 66.29 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.196 0.522 . . . . 0.0 111.245 -176.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -97.45 26.62 22.25 Favored Glycine 0 N--CA 1.448 -0.558 0 N-CA-C 111.09 -0.804 . . . . 0.0 111.09 174.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 68.4 mtm 68.41 -64.35 0.31 Allowed 'General case' 0 CA--C 1.522 -0.1 0 C-N-CA 124.229 1.012 . . . . 0.0 112.158 -178.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.518 ' C ' HD13 ' A' ' 84' ' ' LEU . 1.0 OUTLIER -90.92 7.31 40.76 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 115.356 -0.838 . . . . 0.0 112.514 -174.168 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.76 ' HB2' ' HA ' ' A' ' 80' ' ' ASN . 14.8 mmm180 -60.68 140.31 57.53 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 111.667 0.247 . . . . 0.0 111.667 -176.034 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 27.5 mtpp 73.31 -22.25 0.24 Allowed 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.88 177.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.463 ' H ' ' C ' ' A' ' 85' ' ' ARG . 70.1 mtm -88.15 -25.05 23.16 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 172.08 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.123 0 CA-C-O 118.528 -1.151 . . . . 0.0 111.352 177.72 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 76.4 t80 . . . . . 0 N--CA 1.48 1.026 0 CA-C-O 120.955 0.407 . . . . 0.0 110.609 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.0 pp -92.0 138.82 31.22 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 172.111 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.83 117.94 33.6 Favored Pre-proline 0 C--N 1.318 -0.772 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 176.705 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.676 ' HB2' ' HB ' ' A' ' 7' ' ' THR . 53.6 Cg_exo -52.18 129.73 32.4 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.983 2.455 . . . . 0.0 112.46 -175.676 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_exo -46.17 112.52 0.46 Allowed 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 123.806 3.004 . . . . 0.0 113.442 -177.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.531 ' HA ' ' OE1' ' A' ' 30' ' ' GLU . 59.8 m 63.91 24.11 13.56 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 115.701 -0.681 . . . . 0.0 112.015 176.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.676 ' HB ' ' HB2' ' A' ' 4' ' ' PRO . 27.8 m -108.32 72.25 0.83 Allowed 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 169.154 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -79.48 94.83 5.65 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.79 -1.096 . . . . 0.0 111.76 -169.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 3.5 t -147.2 94.5 2.41 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 172.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.471 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 71.0 m -99.3 118.51 36.13 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.567 -171.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 18.1 p -84.99 2.97 40.67 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.172 173.29 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.471 ' O ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -151.55 167.94 26.48 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.983 -1.008 . . . . 0.0 109.807 -179.548 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 96.7 mt -135.48 152.16 51.09 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.622 0.249 . . . . 0.0 110.892 -177.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.412 ' CE2' ' HB2' ' A' ' 16' ' ' LYS . 72.1 t80 -89.26 -41.72 12.02 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 175.73 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 75.3 mtm180 74.85 -51.64 0.67 Allowed 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 115.226 -0.897 . . . . 0.0 112.858 173.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.412 ' HB2' ' CE2' ' A' ' 14' ' ' TYR . 47.9 mtmt -63.31 148.94 92.51 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-O 120.482 0.182 . . . . 0.0 111.182 -177.774 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.38 147.8 83.36 Favored 'Trans proline' 0 C--O 1.236 0.423 0 C-N-CA 122.904 2.403 . . . . 0.0 112.359 178.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.68 HD13 HD11 ' A' ' 45' ' ' LEU . 69.0 mt -95.62 161.26 14.12 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.11 -175.546 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.693 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 42.4 m -86.73 130.76 34.35 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.13 -178.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.412 ' HA ' HD11 ' A' ' 23' ' ' LEU . 14.7 t70 -56.8 -31.44 64.69 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.39 -176.811 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.0 mmtm -63.46 -40.94 98.47 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.908 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.693 ' HG ' ' O ' ' A' ' 19' ' ' SER . 4.5 pp -75.54 -29.94 59.57 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.405 -0.518 . . . . 0.0 109.943 174.689 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.702 ' HB3' ' CH2' ' A' ' 64' ' ' TRP . 73.3 mt -65.86 -42.83 89.91 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.921 -176.257 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 48.8 ptt85 -59.63 -17.51 34.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.803 0.335 . . . . 0.0 111.098 177.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.403 ' HE2' ' HA ' ' A' ' 22' ' ' LEU . 50.0 mtmt -97.63 2.3 49.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.976 0.417 . . . . 0.0 110.958 -179.122 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.855 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 17.8 t -71.23 145.06 12.84 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.773 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 173.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.413 HD11 ' HA ' ' A' ' 48' ' ' ALA . 37.1 pt -112.62 -28.81 2.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 C-N-CA 120.896 -0.321 . . . . 0.0 111.453 -178.417 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 74.8 mm-40 -149.4 153.03 36.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.124 0.487 . . . . 0.0 111.616 -177.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.7 p -106.68 132.69 53.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.262 -0.881 . . . . 0.0 108.744 170.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.531 ' OE1' ' HA ' ' A' ' 6' ' ' SER . 2.9 pt-20 -128.72 162.43 27.41 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.115 0.483 . . . . 0.0 111.289 -175.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 47.3 tp -134.05 117.78 17.03 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.288 -173.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.684 ' O ' ' HA ' ' A' ' 41' ' ' GLN . 8.4 tt0 -74.86 111.1 9.73 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 168.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -88.19 145.73 25.75 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 121.102 0.477 . . . . 0.0 111.599 -176.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -77.37 0.42 22.48 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.877 -174.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -156.44 -27.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 111.79 0.292 . . . . 0.0 111.79 179.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -83.1 12.25 50.84 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 120.699 -0.762 . . . . 0.0 113.633 -174.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -177.71 -56.62 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.232 0.539 . . . . 0.0 109.946 179.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.417 ' SG ' ' HG3' ' A' ' 32' ' ' GLN . 14.4 m -111.59 -166.88 1.12 Allowed 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 176.013 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -114.99 0.15 13.58 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.019 -0.673 . . . . 0.0 111.637 178.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -127.66 162.01 27.53 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 175.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.684 ' HA ' ' O ' ' A' ' 32' ' ' GLN . 35.9 tt0 -116.13 134.47 54.9 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.01 0.433 . . . . 0.0 111.811 -173.005 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.584 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -154.61 133.27 12.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.815 178.154 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -85.18 113.56 21.64 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.378 0.608 . . . . 0.0 109.711 174.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.497 HG11 ' O ' ' A' ' 52' ' ' ILE . 80.1 t -110.11 137.84 40.58 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.934 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.531 -172.242 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.68 HD11 HD13 ' A' ' 18' ' ' LEU . 82.5 mt -107.57 125.2 51.01 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.2 -177.262 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.428 ' HB2' ' CD ' ' A' ' 30' ' ' GLU . 11.3 t-160 -112.84 109.45 18.92 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.645 -0.707 . . . . 0.0 112.174 -168.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.855 ' HA ' ' HA ' ' A' ' 26' ' ' VAL . 5.5 mp -78.87 167.76 20.69 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 171.595 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.413 ' HA ' HD11 ' A' ' 27' ' ' ILE . . . -58.98 -17.6 26.4 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 112.041 0.386 . . . . 0.0 112.041 -177.495 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -103.82 -51.28 3.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.807 0.337 . . . . 0.0 110.922 -178.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.31 169.62 19.04 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.837 0.31 . . . . 0.0 111.837 -170.6 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.416 ' HB3' ' CG1' ' A' ' 44' ' ' VAL . 53.4 m -112.35 156.98 21.57 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.251 -179.236 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.497 ' O ' HG11 ' A' ' 44' ' ' VAL . 54.4 mt -123.41 143.81 35.19 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 177.149 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 59.2 m -101.73 121.9 42.92 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 121.348 0.594 . . . . 0.0 112.303 -171.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 15.0 mt -131.1 143.13 41.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.261 -0.881 . . . . 0.0 109.877 178.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 6.0 p80 -86.16 145.62 40.87 Favored Pre-proline 0 C--N 1.33 -0.255 0 C-N-CA 120.208 -0.597 . . . . 0.0 109.409 177.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.584 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 81.8 Cg_exo -43.03 -53.47 4.03 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 124.035 3.157 . . . . 0.0 114.863 -169.676 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -80.91 71.66 7.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.119 0.485 . . . . 0.0 110.918 -177.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -133.43 131.23 21.37 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.402 -178.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -55.68 -35.03 92.37 Favored 'Trans proline' 0 CA--C 1.528 0.194 0 C-N-CA 123.198 2.599 . . . . 0.0 113.13 -178.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 10.8 t -73.29 -24.86 60.47 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.749 -0.205 . . . . 0.0 111.055 -175.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -79.84 -45.77 18.1 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 -177.312 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.17 -50.87 68.65 Favored 'General case' 0 C--O 1.247 0.965 0 CA-C-O 121.579 0.704 . . . . 0.0 111.175 -178.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.4 pp0? -60.34 -28.23 67.99 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.928 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.702 ' CH2' ' HB3' ' A' ' 23' ' ' LEU . 26.9 t-105 -73.18 -31.11 64.02 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-N 115.476 -0.783 . . . . 0.0 111.058 -179.321 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.421 ' CD1' ' HB2' ' A' ' 81' ' ' PHE . 14.4 m-85 -56.35 -44.84 80.48 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.487 176.315 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -70.68 -40.21 73.06 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-O 121.425 0.631 . . . . 0.0 110.966 178.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 62.9 m170 -77.03 -34.96 57.25 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.903 -173.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.646 ' HB2' HD21 ' A' ' 72' ' ' LEU . 10.8 pt20 -69.05 -28.18 66.31 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 177.378 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -61.24 -36.55 80.28 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.157 176.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -97.25 1.37 49.57 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.465 179.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.486 ' HD2' ' CH2' ' A' ' 64' ' ' TRP . 60.2 mttm -122.24 -149.72 0.43 Allowed 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 109.252 -0.648 . . . . 0.0 109.252 174.344 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.646 HD21 ' HB2' ' A' ' 68' ' ' GLN . 10.8 mp 51.35 29.55 5.23 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 175.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 7.5 t-80 72.49 -7.26 1.42 Allowed 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.103 0.478 . . . . 0.0 111.408 176.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 80.58 -14.4 24.28 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 121.236 -0.507 . . . . 0.0 112.763 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.4 p -85.27 86.36 7.38 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.471 0.653 . . . . 0.0 110.894 -179.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 77.6 mt -137.52 150.01 67.01 Favored Pre-proline 0 C--N 1.318 -0.787 0 CA-C-N 115.151 -0.931 . . . . 0.0 109.478 -175.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -86.66 160.21 9.24 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 122.949 2.432 . . . . 0.0 112.508 -178.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 24.2 ttpp -78.65 87.06 4.59 Favored 'General case' 0 N--CA 1.444 -0.759 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 176.102 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -91.25 21.43 4.41 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.242 0.544 . . . . 0.0 110.426 -179.748 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.663 ' O ' ' HG3' ' A' ' 83' ' ' MET . 75.0 m-20 64.71 30.75 12.35 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.816 -1.083 . . . . 0.0 110.458 178.584 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.421 ' HB2' ' CD1' ' A' ' 65' ' ' PHE . 44.2 p90 -69.16 -12.1 61.38 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.386 -176.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -59.8 -29.12 66.82 Favored Glycine 0 N--CA 1.45 -0.38 0 CA-C-N 116.116 -0.493 . . . . 0.0 112.793 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.663 ' HG3' ' O ' ' A' ' 80' ' ' ASN . 0.0 OUTLIER -73.32 -8.37 55.56 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 111.838 0.31 . . . . 0.0 111.838 -178.015 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.459 ' HA ' ' HA3' ' A' ' 88' ' ' GLY . 0.4 OUTLIER -123.39 -1.09 8.66 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.161 0.505 . . . . 0.0 109.975 178.91 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 19.8 ttm180 -73.83 85.89 1.71 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.946 176.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? 67.32 1.04 2.31 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.394 0.616 . . . . 0.0 111.108 178.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 68.3 mtm -123.39 19.04 9.76 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.452 0.644 . . . . 0.0 109.877 -179.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.459 ' HA3' ' HA ' ' A' ' 84' ' ' LEU . . . . . . . . 0 C--O 1.252 1.275 0 CA-C-O 118.154 -1.359 . . . . 0.0 110.941 179.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 80.1 t80 . . . . . 0 N--CA 1.479 0.985 0 CA-C-O 120.85 0.357 . . . . 0.0 110.512 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 10.1 tt -63.35 113.63 3.35 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 176.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -67.74 117.89 52.37 Favored Pre-proline 0 N--CA 1.452 -0.349 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 175.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.528 ' HB2' ' HB ' ' A' ' 7' ' ' THR . 36.1 Cg_exo -61.72 130.44 31.4 Favored 'Trans proline' 0 N--CA 1.462 -0.349 0 C-N-CA 122.74 2.293 . . . . 0.0 111.839 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_exo -52.95 126.55 21.77 Favored 'Trans proline' 0 C--O 1.234 0.293 0 C-N-CA 122.886 2.391 . . . . 0.0 112.443 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.1 m 66.16 28.22 10.2 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 121.235 0.541 . . . . 0.0 111.173 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.528 ' HB ' ' HB2' ' A' ' 4' ' ' PRO . 39.1 m -134.31 91.52 2.81 Favored 'General case' 0 N--CA 1.445 -0.676 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 172.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -108.01 107.98 18.9 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.17 -170.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -146.55 86.63 1.68 Allowed 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 170.539 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.434 ' SG ' ' NE2' ' A' ' 12' ' ' GLN . 8.7 t -112.13 148.89 33.02 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 114.917 -1.038 . . . . 0.0 111.178 -169.584 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 21.7 p -121.3 0.98 10.18 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.363 177.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.607 ' O ' ' HB2' ' A' ' 53' ' ' CYS . 0.0 OUTLIER -107.84 97.93 7.58 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 179.011 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.429 HD12 ' HB2' ' A' ' 55' ' ' HIS . 86.9 mt -94.8 112.55 24.27 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.054 0.454 . . . . 0.0 110.457 -177.137 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.549 ' CE2' ' HE2' ' A' ' 16' ' ' LYS . 31.2 t80 -63.59 -57.2 10.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.296 -0.866 . . . . 0.0 111.876 -172.354 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 71.0 mtm180 61.83 71.19 0.55 Allowed 'General case' 0 N--CA 1.468 0.451 0 O-C-N 123.458 0.474 . . . . 0.0 112.105 178.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.549 ' HE2' ' CE2' ' A' ' 14' ' ' TYR . 33.3 ttpt -176.02 143.54 0.66 Allowed Pre-proline 0 C--N 1.327 -0.386 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 177.155 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.904 ' HA ' ' HB2' ' A' ' 60' ' ' SER . 49.5 Cg_exo -57.01 122.46 11.86 Favored 'Trans proline' 0 C--O 1.233 0.268 0 C-N-CA 122.34 2.027 . . . . 0.0 112.069 174.118 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 80.9 mt -83.96 157.04 22.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.579 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.636 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 13.6 m -74.41 131.56 41.19 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.315 178.745 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.481 ' HA ' HD12 ' A' ' 23' ' ' LEU . 18.8 t70 -59.28 -29.24 67.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.134 0.492 . . . . 0.0 110.494 -178.35 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.459 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 13.1 mmmm -57.03 -47.64 80.42 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.379 177.585 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.636 ' HG ' ' O ' ' A' ' 19' ' ' SER . 4.3 pp -75.16 -31.21 60.95 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.162 177.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.562 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 71.9 mt -60.85 -40.77 94.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.706 -177.375 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.471 ' HB3' ' HD3' ' A' ' 71' ' ' LYS . 28.2 ptt180 -64.58 2.31 0.67 Allowed 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -178.598 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.498 ' HB2' HD23 ' A' ' 47' ' ' LEU . 48.7 mtmt -113.63 -0.75 14.22 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.044 178.593 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.584 ' HA ' ' HG ' ' A' ' 47' ' ' LEU . 41.4 t -72.41 105.74 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 179.781 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 35.7 pt -74.11 -32.09 31.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.989 -168.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 23.6 mm-40 -150.46 155.33 39.32 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.763 0.316 . . . . 0.0 110.563 178.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 87.1 t -115.42 134.26 59.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.598 176.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.449 ' CD ' ' HD1' ' A' ' 46' ' ' HIS . 4.7 pt-20 -130.52 141.3 50.49 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.274 0.559 . . . . 0.0 111.436 -175.446 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 44.0 tp -104.48 113.12 26.49 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.886 178.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.416 ' O ' ' HA ' ' A' ' 41' ' ' GLN . 52.9 tt0 -79.9 107.83 12.99 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.231 174.491 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -79.29 141.13 37.3 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.079 -176.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.641 ' HB3' ' HB2' ' A' ' 41' ' ' GLN . . . -83.2 15.62 2.81 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.583 -0.735 . . . . 0.0 112.194 -174.778 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -157.67 -49.85 0.07 Allowed 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.788 -0.365 . . . . 0.0 111.555 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -62.23 -32.76 83.76 Favored Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.929 -0.653 . . . . 0.0 112.961 -178.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -117.29 -65.7 1.16 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.852 0.358 . . . . 0.0 110.244 -178.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 35.2 m -113.54 -170.05 1.62 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.322 -176.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 7.1 p80 -96.68 -6.16 37.15 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 121.006 -0.278 . . . . 0.0 111.288 178.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.0 pp -135.32 153.86 51.72 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 -178.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.641 ' HB2' ' HB3' ' A' ' 34' ' ' ALA . 59.5 tt0 -98.8 138.07 36.48 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 123.433 0.458 . . . . 0.0 110.588 -176.45 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.488 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -151.96 143.59 23.56 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.099 0.476 . . . . 0.0 111.02 178.678 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.54 ' O ' ' HB ' ' A' ' 54' ' ' ILE . 62.3 m-85 -102.25 100.63 10.84 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 172.197 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.403 ' O ' ' HG2' ' A' ' 30' ' ' GLU . 24.1 t -101.25 125.38 55.23 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.996 0 CA-C-O 121.265 0.555 . . . . 0.0 110.496 -172.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 73.1 mt -95.25 115.24 27.16 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.421 -179.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.449 ' HD1' ' CD ' ' A' ' 30' ' ' GLU . 0.3 OUTLIER -101.95 112.13 24.65 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.177 -169.159 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.584 ' HG ' ' HA ' ' A' ' 26' ' ' VAL . 5.6 mp -100.56 166.36 10.95 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 174.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.38 -11.88 60.37 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.061 0.458 . . . . 0.0 110.926 -176.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.41 -23.75 10.14 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.808 -178.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -163.07 171.25 16.71 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.746 -166.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 17.0 m -141.67 128.18 20.13 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.925 0.393 . . . . 0.0 110.456 178.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 4.3 mp -106.35 131.81 55.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 177.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.607 ' HB2' ' O ' ' A' ' 12' ' ' GLN . 22.4 m -102.0 120.85 41.08 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.275 0.56 . . . . 0.0 109.908 -177.736 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.54 ' HB ' ' O ' ' A' ' 43' ' ' PHE . 1.8 mt -106.69 128.85 61.04 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.968 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.108 -177.321 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.429 ' HB2' HD12 ' A' ' 13' ' ' LEU . 25.0 t-80 -68.38 130.47 92.21 Favored Pre-proline 0 C--N 1.323 -0.583 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 170.284 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.488 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 72.4 Cg_exo -49.56 148.64 11.17 Favored 'Trans proline' 0 N--CA 1.467 -0.082 0 C-N-CA 122.285 1.99 . . . . 0.0 111.82 177.227 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.482 ' HB2' ' O ' ' A' ' 56' ' ' PRO . 47.5 mt-30 78.46 20.3 0.88 Allowed 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.168 0.587 . . . . 0.0 110.369 -175.751 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -94.58 122.53 60.67 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.364 174.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_exo -50.48 -38.72 54.49 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 123.342 2.695 . . . . 0.0 113.096 -175.312 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.904 ' HB2' ' HA ' ' A' ' 17' ' ' PRO . 12.3 t -62.93 -23.88 67.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.634 -176.008 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.529 ' HB2' HG22 ' A' ' 54' ' ' ILE . 0.6 OUTLIER -80.04 -46.73 16.06 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 -179.056 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.0 t -59.24 -49.78 76.53 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.462 177.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -59.66 -36.37 76.29 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.701 177.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.562 ' CZ3' ' HB3' ' A' ' 23' ' ' LEU . 15.7 t-105 -66.78 -40.36 88.14 Favored 'General case' 0 C--O 1.223 -0.332 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.336 -178.462 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.736 ' HA ' HE21 ' A' ' 68' ' ' GLN . 2.2 m-85 -58.92 -35.23 72.72 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 120.608 -0.437 . . . . 0.0 111.077 179.638 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -79.53 -41.61 26.93 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.088 0.471 . . . . 0.0 110.576 176.16 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.528 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 8.5 m170 -61.56 -46.98 87.6 Favored 'General case' 0 C--O 1.223 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.26 179.718 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.736 HE21 ' HA ' ' A' ' 65' ' ' PHE . 29.1 pt20 -67.02 -26.24 66.68 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-O 120.585 0.231 . . . . 0.0 110.591 -178.776 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -60.1 -33.49 72.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.45 0.643 . . . . 0.0 109.682 176.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 19.5 ptt-85 -114.55 32.25 6.09 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.925 177.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.528 ' HB2' ' O ' ' A' ' 67' ' ' HIS . 9.1 ttmm -146.12 -166.65 2.52 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 -178.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.1 mp 56.22 -85.02 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 112.651 0.612 . . . . 0.0 112.651 -175.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 31.6 t60 -173.01 -29.27 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.56 -171.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 112.68 -8.7 25.95 Favored Glycine 0 N--CA 1.45 -0.397 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 -175.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.4 p -79.45 106.51 11.53 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.141 0.496 . . . . 0.0 110.794 178.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 79.4 mt -133.09 155.98 80.47 Favored Pre-proline 0 C--N 1.319 -0.724 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.013 -175.286 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_endo -87.2 -160.42 0.11 Allowed 'Trans proline' 0 N--CA 1.456 -0.712 0 C-N-CA 122.826 2.35 . . . . 0.0 112.071 -178.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -78.08 82.45 4.41 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.199 0.523 . . . . 0.0 109.627 176.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 89.7 mt -85.87 115.89 23.78 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.002 -178.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.473 ' O ' ' HG3' ' A' ' 83' ' ' MET . 16.0 p-10 -83.25 55.55 3.19 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 114.943 -1.026 . . . . 0.0 109.89 176.315 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.487 ' HB3' ' CE2' ' A' ' 65' ' ' PHE . 12.8 p90 -76.07 4.14 9.06 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.98 -0.555 . . . . 0.0 112.023 -176.45 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -71.69 -11.41 73.06 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.887 -0.673 . . . . 0.0 111.512 177.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.473 ' HG3' ' O ' ' A' ' 80' ' ' ASN . 0.0 OUTLIER -107.24 2.39 24.63 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.756 0.312 . . . . 0.0 110.898 176.638 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.0 tp -124.2 -51.57 1.76 Allowed 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 -175.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.469 ' HG3' ' HB2' ' A' ' 81' ' ' PHE . 95.1 mtt180 -67.85 119.24 12.21 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-O 120.846 0.355 . . . . 0.0 111.167 -172.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt 68.57 11.76 8.46 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.078 -0.964 . . . . 0.0 110.097 -178.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 46.5 tpp -100.3 -30.34 11.93 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.773 -1.103 . . . . 0.0 108.628 174.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.946 0 CA-C-N 114.551 -1.204 . . . . 0.0 110.522 177.096 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 50.3 p90 . . . . . 0 N--CA 1.477 0.898 0 CA-C-O 121.328 0.585 . . . . 0.0 110.385 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.633 ' O ' ' HD3' ' A' ' 4' ' ' PRO . 50.3 tp -152.92 138.53 17.8 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.271 -0.877 . . . . 0.0 108.644 175.283 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -83.25 107.61 10.31 Favored Pre-proline 0 N--CA 1.444 -0.769 0 CA-C-O 121.03 0.443 . . . . 0.0 110.543 175.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.633 ' HD3' ' O ' ' A' ' 2' ' ' LEU . 22.4 Cg_exo -66.9 143.11 65.18 Favored 'Trans proline' 0 C--O 1.235 0.325 0 C-N-CA 123.064 2.509 . . . . 0.0 112.236 178.756 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.564 ' HG3' ' HE1' ' A' ' 46' ' ' HIS . 58.0 Cg_exo -51.74 125.92 18.32 Favored 'Trans proline' 0 C--O 1.237 0.44 0 C-N-CA 123.094 2.529 . . . . 0.0 112.657 178.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.3 t 69.9 4.9 4.99 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.532 176.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.401 ' OG1' ' HB2' ' A' ' 4' ' ' PRO . 3.9 m -103.12 68.0 0.96 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.566 0.698 . . . . 0.0 109.304 177.549 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -81.19 87.23 6.1 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.416 -0.811 . . . . 0.0 112.312 -171.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.557 ' HA ' ' OE1' ' A' ' 32' ' ' GLN . 42.6 t -140.63 80.82 1.77 Allowed 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 169.372 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.451 ' SG ' ' NE2' ' A' ' 12' ' ' GLN . 8.1 t -110.83 130.84 55.46 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.108 -172.723 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 33.7 p -91.8 -59.33 2.15 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.703 -175.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.451 ' NE2' ' SG ' ' A' ' 10' ' ' CYS . 0.2 OUTLIER -80.24 161.6 25.07 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.045 0.45 . . . . 0.0 111.398 178.66 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 96.7 mt -132.45 138.91 47.79 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.266 -178.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.503 ' CE2' ' HB2' ' A' ' 16' ' ' LYS . 30.9 t80 -75.93 -49.89 16.51 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.2 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 50.3 mtt180 72.1 -24.93 0.18 Allowed 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 172.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.503 ' HB2' ' CE2' ' A' ' 14' ' ' TYR . 34.2 mmtp -71.32 149.9 94.11 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-O 120.897 0.379 . . . . 0.0 111.461 -178.383 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.514 ' HA ' ' OG ' ' A' ' 60' ' ' SER . 20.7 Cg_exo -66.98 122.66 10.02 Favored 'Trans proline' 0 C--O 1.234 0.292 0 C-N-CA 123.162 2.575 . . . . 0.0 112.274 178.527 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.898 ' HB3' HD11 ' A' ' 22' ' ' LEU . 85.6 mt -86.5 136.77 32.96 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.047 178.009 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.678 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 23.3 m -72.13 146.6 47.36 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.05 -178.729 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.507 ' HA ' HD11 ' A' ' 23' ' ' LEU . 34.9 t70 -59.35 -29.06 67.4 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 121.297 0.57 . . . . 0.0 111.113 -177.76 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.556 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 60.4 mttm -57.31 -45.87 83.75 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.584 179.27 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.898 HD11 ' HB3' ' A' ' 18' ' ' LEU . 4.1 pp -76.82 -27.48 55.19 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 121.036 -0.266 . . . . 0.0 111.235 174.255 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.662 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 74.6 mt -62.77 -38.63 91.39 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.781 -0.19 . . . . 0.0 111.49 -176.571 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.556 ' HG2' ' O ' ' A' ' 21' ' ' LYS . 24.4 ptt180 -59.86 -5.85 1.09 Allowed 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 120.87 0.367 . . . . 0.0 111.8 178.352 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.516 ' HD3' ' HA ' ' A' ' 22' ' ' LEU . 22.4 mtpp -106.65 -8.29 16.98 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.75 -178.333 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.835 HG23 ' HG ' ' A' ' 47' ' ' LEU . 21.4 t -80.82 86.15 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.952 179.405 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 22.4 pt -70.24 -22.83 24.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.63 -0.714 . . . . 0.0 112.868 -172.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -142.02 157.43 44.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.025 0.441 . . . . 0.0 111.348 -176.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 57.4 t -120.5 122.75 68.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.586 176.3 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -109.28 149.86 28.82 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 -175.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 55.1 tp -130.06 120.34 24.53 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-O 120.928 0.394 . . . . 0.0 110.711 179.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.557 ' OE1' ' HA ' ' A' ' 9' ' ' CYS . 8.8 tt0 -84.51 105.45 15.33 Favored 'General case' 0 N--CA 1.445 -0.71 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 170.59 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -61.41 151.76 31.56 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.836 178.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.465 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . . . -74.16 18.7 0.14 Allowed 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 113.11 0.782 . . . . 0.0 113.11 -169.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -177.93 -34.74 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.476 0.179 . . . . 0.0 110.773 -175.154 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -46.62 -67.79 1.3 Allowed Glycine 0 C--N 1.336 0.548 0 O-C-N 123.98 0.8 . . . . 0.0 114.34 -175.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -88.2 -51.71 5.62 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 69.6 m -142.55 155.62 45.03 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.599 -1.182 . . . . 0.0 108.707 175.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 6.6 p-80 -79.77 77.55 6.4 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.233 0.54 . . . . 0.0 111.526 -178.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.9 tt -168.89 125.52 0.96 Allowed 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 176.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.465 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 8.3 tt0 -91.58 117.14 29.46 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.684 0.278 . . . . 0.0 110.348 -178.777 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.536 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -146.33 132.72 19.62 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.902 0.382 . . . . 0.0 111.536 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.785 ' HB3' ' HG ' ' A' ' 61' ' ' LEU . 2.2 m-85 -91.58 113.6 25.91 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 172.812 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 62.0 t -108.77 130.18 62.04 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.94 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.656 -171.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.614 HD13 HD13 ' A' ' 18' ' ' LEU . 24.1 mt -92.31 118.34 30.81 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.169 0.509 . . . . 0.0 110.867 -178.612 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.564 ' HE1' ' HG3' ' A' ' 5' ' ' PRO . 61.5 t60 -96.67 97.82 9.67 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.512 -176.832 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.835 ' HG ' HG23 ' A' ' 26' ' ' VAL . 5.7 mp -80.47 162.14 24.54 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 174.318 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.56 -9.18 12.04 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -179.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -107.72 -48.83 3.34 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.705 -0.479 . . . . 0.0 109.705 179.076 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.25 169.53 22.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.022 -173.332 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 56.2 m -108.04 141.73 39.27 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.586 175.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 63.9 mt -118.57 140.55 41.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 176.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 63.0 m -100.52 125.14 46.83 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.535 0.683 . . . . 0.0 110.895 -172.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.588 HD12 ' HB2' ' A' ' 60' ' ' SER . 33.3 mt -127.24 147.26 32.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 114.964 -1.016 . . . . 0.0 110.919 -173.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.463 ' CD2' ' HD2' ' A' ' 56' ' ' PRO . 31.9 t-80 -60.36 137.06 91.96 Favored Pre-proline 0 C--N 1.327 -0.374 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 174.312 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.536 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 4.1 Cg_endo -48.04 -62.06 0.5 Allowed 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.593 2.195 . . . . 0.0 112.184 179.221 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 25.6 mp0 -84.02 79.95 9.33 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 172.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.438 ' HB2' ' O ' ' A' ' 55' ' ' HIS . 3.1 t30 -134.63 137.28 27.23 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.656 177.661 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -46.61 -44.14 21.81 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 123.236 2.624 . . . . 0.0 112.944 -178.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.588 ' HB2' HD12 ' A' ' 54' ' ' ILE . 1.0 OUTLIER -56.13 -46.16 79.28 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.81 -178.834 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.785 ' HG ' ' HB3' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -77.61 -41.28 39.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.741 -172.703 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 9.4 t -72.47 -43.02 64.3 Favored 'General case' 0 C--O 1.239 0.536 0 CA-C-O 120.97 0.415 . . . . 0.0 111.13 -175.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -63.97 -28.29 69.72 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 175.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.662 ' CZ3' ' HB3' ' A' ' 23' ' ' LEU . 10.3 t-105 -61.31 -39.22 89.69 Favored 'General case' 0 C--O 1.218 -0.568 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.345 176.355 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.808 ' HB3' ' HG2' ' A' ' 85' ' ' ARG . 25.4 m-85 -56.09 -40.08 73.1 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 121.117 -0.233 . . . . 0.0 110.682 176.296 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.47 ' HB3' HH21 ' A' ' 70' ' ' ARG . 44.9 mt-10 -65.55 -50.79 63.88 Favored 'General case' 0 C--O 1.24 0.557 0 CA-C-O 121.894 0.854 . . . . 0.0 110.223 174.362 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.611 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 11.5 m-70 -65.93 -50.23 65.16 Favored 'General case' 0 C--O 1.219 -0.503 0 CA-C-N 114.817 -1.083 . . . . 0.0 111.509 -173.284 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.49 ' HB3' ' CE2' ' A' ' 64' ' ' TRP . 3.9 pt20 -61.62 -32.59 72.73 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 120.899 0.381 . . . . 0.0 110.789 -177.471 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -55.5 -37.24 67.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.6 177.157 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.47 HH21 ' HB3' ' A' ' 66' ' ' GLU . 1.1 ptt180 -114.53 30.83 7.04 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.329 -0.851 . . . . 0.0 111.261 178.399 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.611 ' HB2' ' O ' ' A' ' 67' ' ' HIS . 5.8 tppt? -136.99 -157.55 0.79 Allowed 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 -176.68 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.559 HD23 HD12 ' A' ' 76' ' ' LEU . 1.8 mm? 49.53 29.56 3.02 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 114.116 1.154 . . . . 0.0 114.116 -176.652 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 79.1 t60 64.74 15.11 9.59 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 121.245 0.545 . . . . 0.0 110.693 174.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 90.48 -3.45 81.76 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.748 179.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 16.9 p -102.65 115.85 31.41 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 177.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.579 HD13 ' HD2' ' A' ' 77' ' ' PRO . 20.6 tp -154.08 141.02 13.25 Favored Pre-proline 0 N--CA 1.443 -0.782 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 -171.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.579 ' HD2' HD13 ' A' ' 76' ' ' LEU . 85.3 Cg_endo -70.97 152.94 63.51 Favored 'Trans proline' 0 C--N 1.332 -0.322 0 C-N-CA 123.195 2.597 . . . . 0.0 112.191 179.06 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.411 ' HA ' ' HD3' ' A' ' 78' ' ' LYS . 31.8 mmtp -84.28 89.55 7.37 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.338 0.589 . . . . 0.0 110.542 177.517 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.527 ' HB3' ' HD2' ' A' ' 81' ' ' PHE . 95.3 mt -93.54 124.71 37.72 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.028 177.63 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -74.14 11.03 1.01 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 122.026 0.917 . . . . 0.0 110.639 175.599 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.527 ' HD2' ' HB3' ' A' ' 79' ' ' LEU . 74.6 m-85 -89.99 8.6 31.64 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 114.47 -1.241 . . . . 0.0 109.885 179.357 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -58.82 -11.67 11.79 Favored Glycine 0 C--N 1.336 0.532 0 CA-C-N 115.925 -0.58 . . . . 0.0 112.774 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.537 ' O ' ' HB2' ' A' ' 87' ' ' MET . 0.0 OUTLIER -69.11 -6.23 27.14 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.699 0.285 . . . . 0.0 111.345 175.738 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.484 ' HB3' ' CE2' ' A' ' 65' ' ' PHE . 2.2 tp -99.15 7.55 45.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.518 0.199 . . . . 0.0 110.98 -179.286 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.808 ' HG2' ' HB3' ' A' ' 65' ' ' PHE . 85.4 mtm180 -72.17 74.08 0.95 Allowed 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.634 0.254 . . . . 0.0 110.46 177.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt 64.34 6.22 2.94 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.214 -176.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.537 ' HB2' ' O ' ' A' ' 83' ' ' MET . 39.2 mtt -103.12 -4.61 24.25 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.242 0.544 . . . . 0.0 109.711 -178.474 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.838 0 CA-C-O 118.71 -1.05 . . . . 0.0 111.67 -177.101 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 16.7 p90 . . . . . 0 N--CA 1.48 1.038 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.488 ' O ' ' HD3' ' A' ' 4' ' ' PRO . 39.8 tp -154.45 138.72 16.63 Favored 'General case' 0 C--N 1.313 -0.991 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 178.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.419 HD13 ' HA ' ' A' ' 8' ' ' ALA . 4.1 mm? -75.59 111.58 15.07 Favored Pre-proline 0 C--N 1.32 -0.692 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 174.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 1.048 ' HB2' ' HB ' ' A' ' 7' ' ' THR . 54.0 Cg_exo -52.76 136.2 58.38 Favored 'Trans proline' 0 N--CA 1.463 -0.299 0 C-N-CA 122.79 2.326 . . . . 0.0 112.202 -178.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.516 ' HG3' ' HE1' ' A' ' 46' ' ' HIS . 51.7 Cg_exo -53.84 119.72 6.72 Favored 'Trans proline' 0 C--O 1.234 0.292 0 C-N-CA 123.11 2.54 . . . . 0.0 112.147 -178.128 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.9 m 66.08 12.16 8.29 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.123 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 1.048 ' HB ' ' HB2' ' A' ' 4' ' ' PRO . 5.9 m -128.58 26.2 5.65 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 122.569 1.176 . . . . 0.0 108.514 177.636 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.419 ' HA ' HD13 ' A' ' 3' ' ' LEU . . . -85.7 85.99 7.38 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 114.195 -1.366 . . . . 0.0 111.177 -174.095 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 44.4 m -87.03 83.66 7.45 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 169.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 59.9 m -72.52 116.16 12.66 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.21 -174.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.2 p -93.62 -2.38 54.15 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-O 121.633 0.73 . . . . 0.0 109.932 173.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -134.65 157.21 47.23 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.972 -1.013 . . . . 0.0 110.103 177.832 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.453 HD13 ' HB2' ' A' ' 55' ' ' HIS . 96.0 mt -134.67 127.45 31.12 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 -178.172 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.408 ' CD2' ' HB3' ' A' ' 16' ' ' LYS . 10.2 t80 -69.38 -48.8 60.09 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 -178.248 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.53 ' HA ' ' OD1' ' A' ' 58' ' ' ASN . 68.0 mtm180 59.87 17.39 6.47 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.573 174.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.408 ' HB3' ' CD2' ' A' ' 14' ' ' TYR . 48.8 tttm -122.77 136.24 26.56 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.931 -174.723 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -53.13 127.46 25.16 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.906 2.404 . . . . 0.0 112.319 179.015 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.847 ' HB3' HD13 ' A' ' 22' ' ' LEU . 78.2 mt -85.07 139.85 31.43 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.486 -178.102 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.685 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 15.2 m -63.18 139.92 58.82 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.661 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.518 ' HA ' ' HB2' ' A' ' 23' ' ' LEU . 12.0 t70 -66.16 -26.72 67.56 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.797 0.332 . . . . 0.0 111.445 -175.099 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.59 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 98.3 mttt -57.84 -47.88 81.39 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.823 176.196 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.847 HD13 ' HB3' ' A' ' 18' ' ' LEU . 4.5 pp -72.96 -27.65 61.94 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.568 -0.453 . . . . 0.0 109.97 176.562 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.518 ' HB2' ' HA ' ' A' ' 20' ' ' ASP . 21.7 mt -60.04 -40.72 90.38 Favored 'General case' 0 C--O 1.225 -0.234 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.869 179.34 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.616 ' HB3' ' HD2' ' A' ' 71' ' ' LYS . 16.3 ptp180 -71.01 4.64 2.51 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 122.079 -0.388 . . . . 0.0 111.495 -179.29 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt -119.46 8.06 11.28 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.949 175.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.797 HG21 ' HG ' ' A' ' 47' ' ' LEU . 25.2 t -85.17 101.63 9.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 109.157 -0.682 . . . . 0.0 109.157 177.016 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 39.0 pt -81.59 -25.97 9.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -170.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 25.1 mm-40 -147.55 157.38 43.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.008 0.432 . . . . 0.0 111.121 -177.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.448 HG13 HD21 ' A' ' 45' ' ' LEU . 35.6 t -118.84 126.06 74.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 174.702 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.598 ' HG3' ' HB ' ' A' ' 44' ' ' VAL . 13.8 pt-20 -120.3 147.8 44.53 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.191 0.519 . . . . 0.0 110.524 -177.746 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 52.0 tp -114.86 128.79 56.5 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.442 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.512 ' O ' ' HA ' ' A' ' 41' ' ' GLN . 6.2 tt0 -87.01 103.58 15.49 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 107.547 -1.279 . . . . 0.0 107.547 170.373 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.504 ' HB2' ' H ' ' A' ' 37' ' ' ASP . 42.5 mt-10 -61.17 152.33 28.96 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 179.787 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.615 ' HB3' ' HB2' ' A' ' 41' ' ' GLN . . . -69.27 1.82 3.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.235 -173.314 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -168.33 -36.0 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.684 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -56.24 -54.69 33.9 Favored Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 115.389 -0.823 . . . . 0.0 113.278 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.504 ' H ' ' HB2' ' A' ' 33' ' ' GLU . 19.7 m-20 -86.16 -45.93 10.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.989 0.424 . . . . 0.0 110.595 179.392 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.48 ' HB3' ' OE1' ' A' ' 32' ' ' GLN . 2.6 t -156.99 -176.03 5.75 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 -179.419 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 61.7 t60 -81.88 10.08 7.01 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.028 0.442 . . . . 0.0 111.34 -175.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.7 tt -136.39 136.61 39.75 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 -175.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.615 ' HB2' ' HB3' ' A' ' 34' ' ' ALA . 30.1 tt0 -93.29 120.44 33.58 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.351 176.361 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.541 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -148.11 140.38 24.26 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.081 -179.399 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -91.23 113.64 25.96 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 172.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.598 ' HB ' ' HG3' ' A' ' 30' ' ' GLU . 66.1 t -108.37 125.16 65.15 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.862 0 CA-C-O 121.141 0.496 . . . . 0.0 110.608 -173.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.73 HD12 HD11 ' A' ' 18' ' ' LEU . 61.9 mt -92.56 121.96 34.51 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.868 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.516 ' HE1' ' HG3' ' A' ' 5' ' ' PRO . 10.7 t60 -103.06 101.86 11.86 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.342 -171.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.797 ' HG ' HG21 ' A' ' 26' ' ' VAL . 5.6 mp -83.09 165.21 19.75 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 174.777 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.78 -10.2 59.43 Favored 'General case' 0 C--N 1.318 -0.773 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.953 -179.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.48 -6.19 6.43 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.646 179.138 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.515 ' HB2' ' HB2' ' A' ' 47' ' ' LEU . 50.1 mtt180 -145.41 161.42 39.72 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 -168.181 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 12.8 m -137.17 123.24 20.33 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 168.181 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 67.5 mt -120.28 136.71 56.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 120.564 0.221 . . . . 0.0 110.447 -175.034 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 64.5 m -100.29 120.39 39.85 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.594 0.711 . . . . 0.0 110.427 -174.255 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.452 HG22 ' HB2' ' A' ' 58' ' ' ASN . 1.0 OUTLIER -120.34 141.92 38.47 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.742 -176.839 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.502 ' O ' ' HB2' ' A' ' 58' ' ' ASN . 40.2 t-80 -76.95 130.1 76.74 Favored Pre-proline 0 C--N 1.325 -0.473 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 176.502 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.541 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 45.7 Cg_exo -36.93 -48.13 1.48 Allowed 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 123.778 2.985 . . . . 0.0 114.328 -176.184 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 26.1 mm-40 -80.62 53.4 1.86 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.475 0.655 . . . . 0.0 111.169 178.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.53 ' OD1' ' HA ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -112.36 112.28 51.98 Favored Pre-proline 0 C--N 1.319 -0.76 0 CA-C-N 115.304 -0.862 . . . . 0.0 108.952 174.744 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -54.29 -24.77 35.79 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.43 2.087 . . . . 0.0 110.807 175.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.9 m -53.42 -41.62 66.21 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.043 -0.98 . . . . 0.0 111.503 173.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.426 HD23 HG21 ' A' ' 54' ' ' ILE . 0.2 OUTLIER -73.38 -40.75 64.1 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-O 121.044 0.45 . . . . 0.0 109.934 -177.246 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.9 t -69.16 -42.3 76.11 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.743 0.782 . . . . 0.0 109.666 -179.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -63.05 -29.04 70.5 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.732 -1.122 . . . . 0.0 110.113 177.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.574 ' HZ3' ' HZ2' ' A' ' 71' ' ' LYS . 16.6 t-105 -69.88 -38.01 76.24 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.36 176.631 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.408 ' CE2' HD12 ' A' ' 84' ' ' LEU . 23.8 m-85 -54.78 -38.37 67.18 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.97 0.414 . . . . 0.0 110.438 175.673 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -69.43 -51.71 33.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.567 0.699 . . . . 0.0 110.518 175.073 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.722 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 10.4 m170 -69.48 -30.49 68.37 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.596 -0.729 . . . . 0.0 112.316 -172.749 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.492 ' HB3' ' CE2' ' A' ' 64' ' ' TRP . 13.2 pt20 -73.84 -30.24 62.57 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 117.99 0.359 . . . . 0.0 110.13 177.619 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -60.08 -31.4 69.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.584 176.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 10.6 ptp180 -112.22 32.66 5.38 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.654 178.181 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.722 ' HB2' ' O ' ' A' ' 67' ' ' HIS . 0.2 OUTLIER -130.61 -149.98 0.41 Allowed 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.904 -176.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.403 ' H ' ' HG3' ' A' ' 71' ' ' LYS . 0.0 OUTLIER -28.1 95.97 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.64 0 O-C-N 124.728 1.268 . . . . 0.0 114.356 -176.084 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 15.5 m-70 71.95 -46.45 0.64 Allowed 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 114.848 -1.069 . . . . 0.0 112.926 173.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 107.0 -11.57 40.91 Favored Glycine 0 N--CA 1.449 -0.439 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 -175.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.1 p -85.04 145.87 27.46 Favored 'General case' 0 N--CA 1.441 -0.878 0 CA-C-O 120.854 0.359 . . . . 0.0 110.509 178.245 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.43 HD21 ' HA ' ' A' ' 76' ' ' LEU . 54.4 mt -138.56 156.26 73.26 Favored Pre-proline 0 C--N 1.314 -0.941 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.754 -175.412 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.428 ' HG2' HD22 ' A' ' 79' ' ' LEU . 28.4 Cg_endo -88.45 -174.58 1.11 Allowed 'Trans proline' 0 N--CA 1.454 -0.799 0 C-N-CA 122.878 2.385 . . . . 0.0 112.783 -175.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 29.9 mtmm -82.75 64.38 7.35 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.322 -176.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.428 HD22 ' HG2' ' A' ' 77' ' ' PRO . 2.1 pt? -110.28 15.14 22.5 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.082 0.468 . . . . 0.0 110.711 -179.43 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.663 ' O ' ' HG2' ' A' ' 83' ' ' MET . 56.8 m-80 49.52 49.73 19.4 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.781 -1.1 . . . . 0.0 110.853 -178.357 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 45.4 p90 -64.79 -15.07 61.19 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -172.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.479 ' HA2' ' NE ' ' A' ' 85' ' ' ARG . . . -57.82 -38.71 89.6 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 121.1 -0.572 . . . . 0.0 112.678 177.574 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.663 ' HG2' ' O ' ' A' ' 80' ' ' ASN . 27.0 ptt? -69.61 -15.63 63.24 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 121.052 0.453 . . . . 0.0 111.209 -178.719 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.408 HD12 ' CE2' ' A' ' 65' ' ' PHE . 1.9 mt -126.47 25.54 6.51 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.927 -173.016 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.479 ' NE ' ' HA2' ' A' ' 82' ' ' GLY . 95.2 mtt180 -74.67 74.0 2.03 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 175.454 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.409 ' HA ' ' HD2' ' A' ' 86' ' ' LYS . 17.6 tptm 62.65 18.54 10.65 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.441 -177.175 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 25.3 mmt -80.29 -19.24 47.12 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.423 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.261 0 CA-C-O 118.941 -0.922 . . . . 0.0 111.67 -178.172 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 67.7 t80 . . . . . 0 N--CA 1.48 1.074 0 CA-C-O 121.2 0.524 . . . . 0.0 110.135 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -141.74 144.79 34.19 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.24 179.306 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.532 ' HG ' ' SG ' ' A' ' 10' ' ' CYS . 3.9 mm? -63.78 119.01 50.76 Favored Pre-proline 0 C--N 1.32 -0.712 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.522 176.765 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.508 ' HB2' ' HB ' ' A' ' 7' ' ' THR . 51.0 Cg_exo -52.16 143.28 42.51 Favored 'Trans proline' 0 C--O 1.234 0.323 0 C-N-CA 123.212 2.608 . . . . 0.0 112.154 178.481 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -51.36 114.26 1.48 Allowed 'Trans proline' 0 C--O 1.234 0.31 0 C-N-CA 123.037 2.491 . . . . 0.0 112.755 -177.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.8 m 66.07 19.5 11.17 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.937 177.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.508 ' HB ' ' HB2' ' A' ' 4' ' ' PRO . 5.9 m -110.64 35.62 3.41 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 170.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -81.21 121.79 26.59 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 114.055 -1.43 . . . . 0.0 111.29 -173.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 36.8 t -148.9 44.97 1.0 Allowed 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 107.701 -1.222 . . . . 0.0 107.701 175.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.532 ' SG ' ' HG ' ' A' ' 3' ' ' LEU . 18.7 m -61.98 118.93 7.92 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 114.408 -1.269 . . . . 0.0 111.974 -176.224 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 18.7 p -80.28 -44.22 19.97 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.442 170.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -79.44 153.89 29.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.314 172.209 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 91.7 mt -142.74 143.02 32.06 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.225 -178.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.647 ' CE2' ' HB2' ' A' ' 16' ' ' LYS . 54.6 t80 -73.11 -56.44 5.11 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.731 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 28.5 ttp180 72.35 -16.98 0.4 Allowed 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 115.556 -0.747 . . . . 0.0 112.879 172.155 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.647 ' HB2' ' CE2' ' A' ' 14' ' ' TYR . 65.5 mttm -84.27 145.57 45.96 Favored Pre-proline 0 C--N 1.322 -0.623 0 O-C-N 121.84 -0.537 . . . . 0.0 110.079 175.749 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.702 ' HA ' ' HB2' ' A' ' 60' ' ' SER . 32.5 Cg_exo -59.39 135.71 66.99 Favored 'Trans proline' 0 C--O 1.237 0.449 0 C-N-CA 122.558 2.172 . . . . 0.0 112.043 177.529 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.674 HD11 HD11 ' A' ' 45' ' ' LEU . 80.6 mt -88.94 152.34 21.77 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.735 -179.133 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 25.0 m -75.74 146.29 40.18 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.88 -179.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.417 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 30.2 t70 -58.52 -31.08 67.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.099 -178.381 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 51.8 mttp -55.21 -46.41 75.92 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.487 177.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.24 -35.7 66.29 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.893 179.406 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.54 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 76.5 mt -63.99 -44.73 91.81 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.1 -175.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.431 ' HB3' ' HD2' ' A' ' 71' ' ' LYS . 17.4 ptm180 -69.81 4.17 2.14 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 121.371 0.605 . . . . 0.0 111.275 177.422 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.444 ' H ' ' C ' ' A' ' 23' ' ' LEU . 25.6 mtpt -112.06 -2.68 14.96 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.264 179.148 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.704 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 55.8 t -74.13 152.3 7.06 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.672 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.209 175.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 12.0 pt -117.37 -38.67 2.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.134 177.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 58.5 mm-40 -148.37 157.17 43.32 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 120.972 0.415 . . . . 0.0 110.978 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.405 HG12 HD22 ' A' ' 45' ' ' LEU . 43.3 t -108.66 121.28 61.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 172.674 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.699 ' HG3' ' HB ' ' A' ' 44' ' ' VAL . 10.7 pt-20 -106.26 113.02 26.3 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-O 121.553 0.692 . . . . 0.0 110.367 -177.608 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 47.4 tp -82.21 105.55 13.39 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.657 -179.175 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -74.61 104.28 5.23 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.132 172.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -77.49 158.52 29.9 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.924 0.392 . . . . 0.0 111.494 -178.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.625 ' HB1' ' HB2' ' A' ' 41' ' ' GLN . . . -80.23 3.0 22.22 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.481 -177.598 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -146.56 -45.1 0.19 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.066 177.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -59.25 -63.8 4.84 Favored Glycine 0 CA--C 1.519 0.33 0 C-N-CA 121.19 -0.529 . . . . 0.0 113.507 -178.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -85.78 -49.78 7.66 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.271 0.557 . . . . 0.0 110.935 -176.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 42.7 t -135.42 -171.6 2.87 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 -175.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 12.3 p-80 -104.59 16.93 25.09 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.559 0.695 . . . . 0.0 109.992 174.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.5 tt -142.75 130.78 21.81 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.116 -0.947 . . . . 0.0 108.495 178.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.625 ' HB2' ' HB1' ' A' ' 34' ' ' ALA . 60.5 tt0 -83.29 129.81 35.03 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.686 0.279 . . . . 0.0 110.82 -177.336 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.555 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -148.0 146.68 29.02 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.791 179.452 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.787 ' HB3' ' HG ' ' A' ' 61' ' ' LEU . 22.7 m-85 -99.33 101.14 12.33 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 174.626 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.699 ' HB ' ' HG3' ' A' ' 30' ' ' GLU . 23.2 t -98.96 131.52 46.03 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.567 -173.664 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.674 HD11 HD11 ' A' ' 18' ' ' LEU . 66.7 mt -100.49 123.73 45.08 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.39 -178.616 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -104.43 108.54 20.01 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.594 -175.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.704 ' HA ' ' HA ' ' A' ' 26' ' ' VAL . 6.2 mp -89.31 166.61 13.65 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 176.272 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.12 -7.45 46.67 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.033 0.383 . . . . 0.0 112.033 -174.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.408 ' NE2' ' HB3' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -138.57 8.69 2.62 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 113.021 0.749 . . . . 0.0 113.021 177.947 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -168.35 168.28 11.44 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 120.511 -0.476 . . . . 0.0 111.873 -178.095 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.5 m -132.3 139.86 48.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.807 177.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 72.2 mt -132.45 132.78 60.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 179.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 92.4 m -101.36 121.05 41.22 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.612 0.72 . . . . 0.0 110.924 -175.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -109.14 140.63 27.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.395 -0.82 . . . . 0.0 111.17 -177.633 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.449 ' O ' ' HB2' ' A' ' 58' ' ' ASN . 26.8 t-80 -71.39 126.3 91.79 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.816 173.666 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.555 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 50.0 Cg_exo -56.42 161.75 9.0 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.765 2.31 . . . . 0.0 111.351 177.567 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.558 ' HA ' ' O ' ' A' ' 88' ' ' GLY . 2.4 mp0 66.02 58.98 0.72 Allowed 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 -170.416 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.449 ' HB2' ' O ' ' A' ' 55' ' ' HIS . 13.1 t-20 -141.39 128.62 11.74 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-N 114.527 -1.215 . . . . 0.0 110.567 -174.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -56.92 -34.58 97.48 Favored 'Trans proline' 0 N--CA 1.463 -0.297 0 C-N-CA 122.885 2.39 . . . . 0.0 112.86 -178.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.702 ' HB2' ' HA ' ' A' ' 17' ' ' PRO . 20.7 t -65.33 -37.82 88.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.879 -0.146 . . . . 0.0 111.137 -175.332 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.787 ' HG ' ' HB3' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -79.53 -44.8 20.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.625 0.25 . . . . 0.0 110.478 -177.573 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.409 ' HB2' ' OXT' ' A' ' 88' ' ' GLY . 14.1 t -60.21 -50.63 72.88 Favored 'General case' 0 C--O 1.243 0.713 0 CA-C-O 121.401 0.619 . . . . 0.0 110.349 179.596 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -64.14 -28.95 70.11 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.038 177.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.54 ' CZ3' ' HB3' ' A' ' 23' ' ' LEU . 26.4 t-105 -67.89 -37.06 81.29 Favored 'General case' 0 C--O 1.219 -0.538 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.693 179.357 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.904 ' HD2' ' HB3' ' A' ' 81' ' ' PHE . 2.7 m-85 -55.48 -46.57 76.85 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.924 0.392 . . . . 0.0 110.217 176.218 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -64.82 -48.62 73.72 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-O 121.72 0.772 . . . . 0.0 110.085 175.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.468 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 40.2 m170 -63.92 -43.81 94.81 Favored 'General case' 0 C--O 1.215 -0.743 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.959 -175.129 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.586 HE21 ' HA ' ' A' ' 65' ' ' PHE . 30.3 pt20 -62.73 -35.28 79.25 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 117.648 0.204 . . . . 0.0 110.972 -175.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -53.06 -42.93 66.28 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-O 121.309 0.576 . . . . 0.0 109.52 173.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.5 ptp180 -114.89 26.22 10.33 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 -176.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.468 ' HB2' ' O ' ' A' ' 67' ' ' HIS . 14.9 tppt? -104.22 -99.03 0.31 Allowed 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 120.297 -0.561 . . . . 0.0 111.539 -176.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.404 ' H ' ' CD1' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -59.26 -13.29 7.31 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.743 0.306 . . . . 0.0 110.513 170.926 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 4.2 t60 62.47 19.13 10.96 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-O 121.677 0.751 . . . . 0.0 109.138 -179.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -71.56 -20.47 78.47 Favored Glycine 0 CA--C 1.511 -0.213 0 CA-C-N 114.56 -1.2 . . . . 0.0 112.199 -176.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.473 ' C ' HD22 ' A' ' 76' ' ' LEU . 66.1 p 63.88 145.92 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.801 1.24 . . . . 0.0 112.227 179.41 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.516 ' HB3' ' HD2' ' A' ' 77' ' ' PRO . 3.9 mm? -116.58 175.96 1.74 Allowed Pre-proline 0 N--CA 1.437 -1.083 0 CA-C-N 114.851 -1.068 . . . . 0.0 109.44 -173.231 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.516 ' HD2' ' HB3' ' A' ' 76' ' ' LEU . 26.0 Cg_exo -41.1 127.85 2.85 Favored 'Trans proline' 0 N--CA 1.459 -0.537 0 C-N-CA 122.815 2.343 . . . . 0.0 112.473 167.434 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -76.88 80.24 3.45 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.265 0.555 . . . . 0.0 110.211 -178.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.9 pp -124.17 -8.43 7.65 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.479 176.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 9.1 m120 68.28 127.34 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.493 -1.231 . . . . 0.0 110.613 -179.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.904 ' HB3' ' HD2' ' A' ' 65' ' ' PHE . 2.6 m-85 -96.54 11.28 35.71 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.829 -168.077 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -66.85 -13.52 61.62 Favored Glycine 0 N--CA 1.452 -0.295 0 CA-C-N 115.86 -0.609 . . . . 0.0 113.369 -176.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.5 -14.88 58.58 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 117.015 0.407 . . . . 0.0 110.506 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 23.4 tp -115.89 -22.31 9.12 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.002 -178.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.452 ' HG3' ' O ' ' A' ' 81' ' ' PHE . 59.8 mtp180 -53.47 108.54 0.35 Allowed 'General case' 0 N--CA 1.463 0.177 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -177.009 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 19.6 mmtp 62.44 14.91 7.33 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.405 176.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 29.9 tpp -101.61 -36.68 8.68 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.793 -177.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.558 ' O ' ' HA ' ' A' ' 57' ' ' GLN . . . . . . . . 0 N--CA 1.44 -1.049 0 N-CA-C 110.435 -1.066 . . . . 0.0 110.435 178.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 75.4 t80 . . . . . 0 N--CA 1.474 0.74 0 CA-C-O 121.0 0.429 . . . . 0.0 110.5 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.8 pp -103.66 144.22 31.73 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 173.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.45 ' HG ' ' SG ' ' A' ' 53' ' ' CYS . 3.9 mm? -72.38 123.03 88.99 Favored Pre-proline 0 C--N 1.319 -0.736 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 177.639 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -50.1 128.09 21.41 Favored 'Trans proline' 0 N--CA 1.459 -0.51 0 C-N-CA 122.374 2.049 . . . . 0.0 111.538 179.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -54.34 126.96 23.93 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 123.033 2.489 . . . . 0.0 112.74 -176.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.7 m 68.51 25.39 6.77 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.229 177.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 16.1 m -119.21 90.74 3.39 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 176.134 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.658 ' HB3' ' HG2' ' A' ' 32' ' ' GLN . . . -87.34 87.49 7.44 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.311 0.577 . . . . 0.0 112.084 -171.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.473 ' HA ' ' CB ' ' A' ' 38' ' ' CYS . 45.5 t -160.22 97.52 1.25 Allowed 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 170.362 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -115.75 119.43 36.03 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.78 -170.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 20.9 p -90.62 6.17 44.94 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.896 0.379 . . . . 0.0 111.743 -178.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -155.57 159.36 39.62 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.044 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.415 HD11 ' HA ' ' A' ' 55' ' ' HIS . 85.2 mt -124.8 142.25 51.55 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 178.742 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.448 ' CE2' ' HB3' ' A' ' 16' ' ' LYS . 25.9 t80 -66.46 -33.33 75.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.815 0.34 . . . . 0.0 110.278 -177.567 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 62.7 mtm180 59.19 27.21 16.15 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.899 173.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.448 ' HB3' ' CE2' ' A' ' 14' ' ' TYR . 61.0 tttp -146.47 136.45 11.94 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.823 -179.05 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -60.25 144.39 99.5 Favored 'Trans proline' 0 C--O 1.233 0.241 0 C-N-CA 122.529 2.153 . . . . 0.0 111.682 176.066 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.576 ' HB3' HD13 ' A' ' 22' ' ' LEU . 84.8 mt -94.38 159.99 14.87 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.907 -176.475 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.618 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 18.1 m -81.18 137.91 35.88 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.466 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.545 ' HA ' HD13 ' A' ' 23' ' ' LEU . 21.1 t70 -62.43 -29.23 70.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.93 0.395 . . . . 0.0 111.938 -173.523 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.513 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 91.8 mttt -63.51 -46.29 86.73 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.824 -179.221 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.618 ' HG ' ' O ' ' A' ' 19' ' ' SER . 4.4 pp -73.94 -26.73 60.65 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 176.378 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.545 HD13 ' HA ' ' A' ' 20' ' ' ASP . 18.2 mt -60.54 -46.77 88.94 Favored 'General case' 0 C--O 1.221 -0.443 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.599 179.076 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.513 ' HG2' ' O ' ' A' ' 21' ' ' LYS . 5.8 ptm180 -59.74 -7.81 1.77 Allowed 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 -177.808 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.4 mtmt -98.44 -7.02 29.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.828 0.347 . . . . 0.0 110.76 178.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.87 HG23 ' HG ' ' A' ' 47' ' ' LEU . 46.5 t -74.3 120.74 24.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 -178.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 26.8 pt -100.54 -21.55 5.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -169.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.499 ' HB2' ' HB3' ' A' ' 46' ' ' HIS . 82.5 mm-40 -144.47 155.96 43.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.007 0.432 . . . . 0.0 111.279 -178.097 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.5 t -127.1 118.11 49.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 175.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -125.7 144.3 50.67 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.225 0.536 . . . . 0.0 111.434 -174.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 57.4 tp -103.56 127.33 51.0 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.017 -177.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.658 ' HG2' ' HB3' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -97.42 119.08 35.3 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 173.244 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -78.98 162.23 26.1 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.946 0.403 . . . . 0.0 111.877 -170.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.487 ' HB1' ' HB2' ' A' ' 41' ' ' GLN . . . -78.49 6.28 8.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.874 -174.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.449 ' HA ' ' HA ' ' A' ' 39' ' ' HIS . 27.5 t70 -174.08 139.04 0.62 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.192 -178.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 137.26 -111.84 0.87 Allowed Glycine 0 N--CA 1.445 -0.728 0 N-CA-C 111.468 -0.653 . . . . 0.0 111.468 -177.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -63.94 -45.79 87.63 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 175.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.532 ' HB3' ' NE2' ' A' ' 32' ' ' GLN . 0.5 OUTLIER -136.15 126.97 27.44 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.662 -1.154 . . . . 0.0 108.388 178.517 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.449 ' HA ' ' HA ' ' A' ' 35' ' ' ASP . 8.8 p-80 -90.13 73.56 7.22 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 112.864 0.69 . . . . 0.0 112.864 -172.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.419 ' O ' HD21 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -175.01 139.14 0.47 Allowed 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.353 171.35 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.487 ' HB2' ' HB1' ' A' ' 34' ' ' ALA . 8.6 tt0 -79.81 127.55 32.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.732 0.301 . . . . 0.0 110.828 -173.376 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.411 ' HB3' ' HB3' ' A' ' 32' ' ' GLN . . . -148.27 138.97 22.94 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.145 -179.595 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.41 ' CD1' ' HA ' ' A' ' 56' ' ' PRO . 19.0 m-85 -101.92 111.43 23.69 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 173.425 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 14.5 t -105.09 125.55 60.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-O 121.344 0.592 . . . . 0.0 111.263 -171.114 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.482 HD11 HD12 ' A' ' 18' ' ' LEU . 73.3 mt -95.94 124.1 39.82 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.123 179.505 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.499 ' HB3' ' HB2' ' A' ' 28' ' ' GLN . 3.5 t-160 -99.92 99.2 9.94 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.782 -171.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.87 ' HG ' HG23 ' A' ' 26' ' ' VAL . 6.3 mp -83.17 170.21 14.98 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 175.135 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.39 -20.23 66.01 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -172.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.59 11.26 3.74 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.85 -175.488 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.9 ptp180 -171.54 166.32 6.8 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 120.641 0.258 . . . . 0.0 111.122 -177.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.7 m -132.08 138.66 48.23 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 175.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 66.2 mt -121.87 137.44 55.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.355 -0.384 . . . . 0.0 109.99 -178.306 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.45 ' SG ' ' HG ' ' A' ' 3' ' ' LEU . 72.4 m -101.4 121.51 42.05 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.5 0.666 . . . . 0.0 110.521 -177.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -109.51 147.23 14.1 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.866 0 CA-C-N 114.901 -1.045 . . . . 0.0 110.149 -176.742 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.657 ' O ' ' HB2' ' A' ' 58' ' ' ASN . 22.1 t-80 -65.41 131.46 94.93 Favored Pre-proline 0 C--N 1.326 -0.435 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 175.5 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.41 ' HA ' ' CD1' ' A' ' 43' ' ' PHE . 10.2 Cg_endo -53.09 141.17 58.68 Favored 'Trans proline' 0 CA--C 1.526 0.117 0 C-N-CA 122.961 2.44 . . . . 0.0 112.817 179.756 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 70.43 12.63 7.48 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.85 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.657 ' HB2' ' O ' ' A' ' 55' ' ' HIS . 0.7 OUTLIER -71.28 139.59 84.64 Favored Pre-proline 0 C--N 1.329 -0.284 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 175.692 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -51.46 -40.3 63.03 Favored 'Trans proline' 0 C--O 1.224 -0.214 0 C-N-CA 123.227 2.618 . . . . 0.0 112.644 -178.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 12.3 t -62.66 -26.63 68.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.491 -177.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.05 -46.76 15.99 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 34.1 t -64.09 -50.3 68.85 Favored 'General case' 0 C--O 1.242 0.691 0 CA-C-O 121.409 0.623 . . . . 0.0 110.76 179.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -60.73 -28.75 68.91 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.302 178.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.606 ' CE2' ' HB3' ' A' ' 68' ' ' GLN . 26.7 t-105 -67.27 -37.46 83.49 Favored 'General case' 0 N--CA 1.447 -0.62 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.885 179.128 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.668 ' HA ' HE21 ' A' ' 68' ' ' GLN . 29.9 m-85 -53.66 -43.65 68.99 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 121.064 0.459 . . . . 0.0 110.005 176.195 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.48 ' O ' ' HB3' ' A' ' 69' ' ' GLU . 54.5 mt-10 -67.5 -49.45 63.44 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-O 121.826 0.822 . . . . 0.0 110.659 177.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.427 ' HB3' ' CE ' ' A' ' 71' ' ' LYS . 13.3 m170 -65.33 -49.2 70.33 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.196 -0.911 . . . . 0.0 111.712 -172.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.668 HE21 ' HA ' ' A' ' 65' ' ' PHE . 29.5 pt20 -61.61 -28.52 69.42 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.835 0.35 . . . . 0.0 110.156 -179.628 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.48 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 38.9 tt0 -57.84 -36.75 72.73 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.652 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 22.0 ptt180 -113.74 15.97 18.63 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 120.073 -0.651 . . . . 0.0 112.258 179.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.526 ' HE3' ' OD1' ' A' ' 20' ' ' ASP . 63.0 mttm -118.85 -160.51 0.8 Allowed 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 110.1 -0.334 . . . . 0.0 110.1 176.19 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.456 HD21 ' O ' ' A' ' 26' ' ' VAL . 7.5 mp 56.43 -87.72 0.02 OUTLIER 'General case' 0 C--N 1.345 0.382 0 O-C-N 123.557 0.536 . . . . 0.0 111.502 -175.429 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 71.7 t60 -166.82 5.99 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 -178.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 83.88 -0.16 89.56 Favored Glycine 0 N--CA 1.447 -0.595 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -168.309 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 20.4 p -85.44 106.47 16.82 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.454 -0.373 . . . . 0.0 110.353 179.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 76.1 mt -150.51 156.04 36.55 Favored Pre-proline 0 C--N 1.32 -0.682 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 -175.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -80.0 166.21 21.17 Favored 'Trans proline' 0 N--CA 1.453 -0.91 0 C-N-CA 122.328 2.019 . . . . 0.0 110.703 174.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -74.01 90.01 1.95 Allowed 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 120.429 -0.508 . . . . 0.0 110.077 177.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 73.3 mt -90.8 92.77 8.94 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.929 178.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -83.33 42.38 0.82 Allowed 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.483 0.659 . . . . 0.0 110.411 -179.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.433 ' HA ' ' SD ' ' A' ' 83' ' ' MET . 8.2 m-85 -81.98 51.85 1.84 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.432 -178.169 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -66.13 -19.75 68.4 Favored Glycine 0 N--CA 1.45 -0.405 0 CA-C-N 115.77 -0.65 . . . . 0.0 112.03 179.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.433 ' SD ' ' HA ' ' A' ' 81' ' ' PHE . 0.0 OUTLIER -80.12 -5.95 56.86 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.917 0.389 . . . . 0.0 110.485 178.136 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -111.81 -25.09 9.64 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.037 179.529 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 18.6 mmt180 -64.17 126.7 28.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.779 178.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 31.5 ttpt 63.77 10.24 4.99 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 121.776 0.798 . . . . 0.0 110.862 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 43.0 tpp -87.3 -37.59 17.03 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.198 178.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.939 0 CA-C-N 114.814 -1.084 . . . . 0.0 110.764 174.655 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 78.5 t80 . . . . . 0 N--CA 1.477 0.922 0 CA-C-O 121.179 0.514 . . . . 0.0 110.243 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.584 ' O ' ' HD3' ' A' ' 4' ' ' PRO . 50.5 tp -152.96 135.0 14.79 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.141 174.465 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -81.44 106.43 5.86 Favored Pre-proline 0 C--N 1.321 -0.664 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 174.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.584 ' HD3' ' O ' ' A' ' 2' ' ' LEU . 23.4 Cg_exo -64.01 148.79 91.47 Favored 'Trans proline' 0 C--O 1.235 0.36 0 C-N-CA 122.987 2.458 . . . . 0.0 112.469 -177.268 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_exo -56.1 123.5 13.97 Favored 'Trans proline' 0 C--O 1.234 0.306 0 C-N-CA 122.794 2.329 . . . . 0.0 112.126 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.2 m 67.88 16.53 9.65 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.348 0.594 . . . . 0.0 111.402 179.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.1 m -115.02 58.26 0.71 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.663 0.745 . . . . 0.0 109.005 174.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -96.64 87.59 4.41 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.383 -0.826 . . . . 0.0 112.089 -172.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 53.8 t -121.33 77.97 1.38 Allowed 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 107.573 -1.269 . . . . 0.0 107.573 163.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 79.8 m -76.97 117.58 18.7 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 114.868 -1.06 . . . . 0.0 111.552 -171.061 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -92.67 -10.35 37.56 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.572 170.032 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -112.48 149.39 32.68 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.945 -1.025 . . . . 0.0 110.104 174.425 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 96.2 mt -136.24 135.48 39.08 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.716 0.293 . . . . 0.0 110.541 -176.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.451 ' CE2' ' HB2' ' A' ' 16' ' ' LYS . 36.5 t80 -72.42 -46.24 56.01 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.555 -179.385 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 47.0 mtp180 71.05 -25.51 0.17 Allowed 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 113.334 0.864 . . . . 0.0 113.334 173.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.451 ' HB2' ' CE2' ' A' ' 14' ' ' TYR . 57.6 mttp -85.47 155.22 59.7 Favored Pre-proline 0 C--N 1.322 -0.63 0 O-C-N 122.185 -0.322 . . . . 0.0 110.52 -179.689 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_exo -62.08 143.19 94.53 Favored 'Trans proline' 0 C--O 1.233 0.256 0 C-N-CA 122.558 2.172 . . . . 0.0 111.195 172.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.573 HD22 HG23 ' A' ' 52' ' ' ILE . 69.2 mt -91.11 138.46 31.58 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 120.882 0.372 . . . . 0.0 110.873 -176.238 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.541 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 25.0 m -56.24 128.32 35.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.546 177.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -61.15 -28.77 69.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.207 -0.451 . . . . 0.0 112.094 -172.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.473 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 45.5 mmtm -68.08 -44.16 76.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.5 0.19 . . . . 0.0 111.033 179.657 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' A' ' 19' ' ' SER . 4.5 pp -75.73 -28.62 58.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.221 0.534 . . . . 0.0 110.161 174.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.649 ' HG ' ' CZ3' ' A' ' 64' ' ' TRP . 15.9 tp -66.42 -31.5 72.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.452 -173.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.473 ' HG2' ' O ' ' A' ' 21' ' ' LYS . 4.0 ptm180 -68.04 -9.01 42.54 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.674 0.273 . . . . 0.0 111.61 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 47.6 mtmt -104.76 9.19 35.06 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.859 0.362 . . . . 0.0 110.966 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.716 HG21 ' HG ' ' A' ' 47' ' ' LEU . 51.7 t -79.5 98.15 2.94 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.57 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 171.138 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 19.9 pt -83.5 -18.69 10.09 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.919 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.865 -169.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 37.5 mm-40 -154.16 157.63 39.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.296 -179.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 4.0 p -119.2 126.18 75.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 174.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -112.71 127.74 56.21 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.293 0.568 . . . . 0.0 110.82 -175.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 41.1 tp -91.44 106.68 18.67 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.285 -177.383 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.519 ' O ' ' HA ' ' A' ' 41' ' ' GLN . 49.1 tt0 -79.84 107.82 12.92 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 171.652 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -76.67 158.77 30.78 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.914 0.388 . . . . 0.0 111.353 -176.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.64 ' HB1' ' HB2' ' A' ' 41' ' ' GLN . . . -75.72 -6.54 51.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.915 -175.313 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -168.45 26.5 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.595 0.712 . . . . 0.0 109.494 -178.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -93.47 -96.94 1.5 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.669 -0.777 . . . . 0.0 111.636 -179.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -78.21 -15.15 59.07 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.389 0.614 . . . . 0.0 109.921 175.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.1 t -156.94 170.44 22.51 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 176.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.486 ' O ' ' HB2' ' A' ' 40' ' ' LEU . 28.2 t60 -105.03 76.84 1.27 Allowed 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.094 -178.353 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.486 ' HB2' ' O ' ' A' ' 39' ' ' HIS . 5.6 tt 175.59 121.98 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 175.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.64 ' HB2' ' HB1' ' A' ' 34' ' ' ALA . 34.5 tt0 -86.12 123.96 32.0 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.357 0.599 . . . . 0.0 111.757 -176.184 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.558 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -148.45 134.7 19.4 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.431 177.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.565 ' O ' ' HB ' ' A' ' 54' ' ' ILE . 13.9 m-85 -89.86 99.99 12.89 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 172.336 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 25.1 t -102.05 136.3 34.8 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.98 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.038 -172.183 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.491 HD13 HD13 ' A' ' 18' ' ' LEU . 53.0 mt -99.06 125.47 44.57 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.173 0.511 . . . . 0.0 110.934 -175.677 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 19.2 t-80 -98.08 99.9 11.19 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.696 -172.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.716 ' HG ' HG21 ' A' ' 26' ' ' VAL . 5.9 mp -89.1 162.48 15.95 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.057 177.172 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.56 15.57 0.1 Allowed 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.116 -0.493 . . . . 0.0 112.11 -178.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.498 ' H ' ' C ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -133.27 -51.19 0.88 Allowed 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 179.281 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -163.6 167.19 21.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.234 -178.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.4 m -98.32 144.46 27.7 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.178 0.513 . . . . 0.0 111.737 -176.042 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.573 HG23 HD22 ' A' ' 18' ' ' LEU . 68.4 mt -111.45 135.38 50.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.148 175.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 30.7 m -100.39 121.8 42.1 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.239 0.543 . . . . 0.0 110.823 -169.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.565 ' HB ' ' O ' ' A' ' 43' ' ' PHE . 39.6 mt -124.34 142.76 40.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.604 -0.726 . . . . 0.0 111.182 -174.557 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.6 ' O ' ' HB2' ' A' ' 58' ' ' ASN . 42.1 t-80 -70.65 134.61 86.21 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.474 176.594 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.558 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 1.1 Cg_endo -46.16 -48.56 12.81 Favored 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 122.999 2.466 . . . . 0.0 112.702 -179.34 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -84.13 82.0 8.56 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 173.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.6 ' HB2' ' O ' ' A' ' 55' ' ' HIS . 0.9 OUTLIER -148.5 122.96 4.88 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-N 115.301 -0.863 . . . . 0.0 108.872 177.25 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -54.37 -29.29 57.63 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.74 2.293 . . . . 0.0 112.225 -173.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.412 ' HG ' HD11 ' A' ' 54' ' ' ILE . 6.4 p -60.03 -33.62 72.27 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.475 -0.784 . . . . 0.0 112.071 -178.462 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.523 ' HG ' ' HB3' ' A' ' 43' ' ' PHE . 0.3 OUTLIER -79.76 -47.17 15.69 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 121.001 -0.28 . . . . 0.0 110.256 -176.337 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.506 ' HA ' ' CD2' ' A' ' 65' ' ' PHE . 47.0 t -60.06 -46.53 89.23 Favored 'General case' 0 C--O 1.24 0.571 0 CA-C-O 121.268 0.556 . . . . 0.0 110.261 177.196 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -63.59 -28.67 70.09 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.256 177.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.649 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 30.6 t-105 -69.33 -34.01 73.99 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.746 177.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.566 ' HA ' HE21 ' A' ' 68' ' ' GLN . 21.0 m-85 -53.32 -51.31 62.81 Favored 'General case' 0 C--O 1.238 0.483 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 175.223 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -63.97 -47.14 81.57 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.346 178.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 33.7 m170 -68.6 -43.29 76.75 Favored 'General case' 0 C--O 1.221 -0.405 0 CA-C-N 115.434 -0.803 . . . . 0.0 112.477 -173.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.566 HE21 ' HA ' ' A' ' 65' ' ' PHE . 28.7 pt20 -65.03 -27.42 68.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 117.882 0.31 . . . . 0.0 110.592 -176.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -63.76 -40.57 97.02 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.145 175.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 34.0 ptt180 -113.47 33.4 5.16 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 116.344 -0.389 . . . . 0.0 112.023 -178.144 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.469 ' HG2' ' H ' ' A' ' 72' ' ' LEU . 12.2 ttmm -141.04 -167.86 2.48 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 174.281 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.469 ' H ' ' HG2' ' A' ' 71' ' ' LYS . 0.2 OUTLIER 37.51 -93.67 0.01 OUTLIER 'General case' 0 C--N 1.346 0.453 0 C-N-CA 124.114 0.966 . . . . 0.0 112.244 -173.432 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -149.4 29.33 0.78 Allowed 'General case' 0 N--CA 1.445 -0.681 0 CA-C-O 121.336 0.588 . . . . 0.0 110.494 177.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 62.82 55.93 24.0 Favored Glycine 0 C--N 1.331 0.28 0 CA-C-N 115.109 -0.95 . . . . 0.0 113.139 175.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 19.1 p -132.17 129.02 39.23 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.657 0.265 . . . . 0.0 111.397 -179.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.586 HD13 ' C ' ' A' ' 76' ' ' LEU . 3.6 pp -156.24 146.29 15.72 Favored Pre-proline 0 C--N 1.321 -0.669 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.856 178.058 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -81.79 130.69 6.82 Favored 'Trans proline' 0 N--CA 1.457 -0.654 0 C-N-CA 122.692 2.262 . . . . 0.0 112.191 178.158 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -82.39 82.13 7.97 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.209 0.528 . . . . 0.0 110.085 178.028 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -99.06 16.67 21.9 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.104 178.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 50.4 m-80 55.43 91.92 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 114.368 -1.287 . . . . 0.0 110.783 -177.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.445 ' O ' ' HG3' ' A' ' 85' ' ' ARG . 19.8 p90 -119.77 22.43 11.57 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.553 -172.739 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -69.01 -19.29 73.6 Favored Glycine 0 C--O 1.227 -0.32 0 C-N-CA 121.081 -0.581 . . . . 0.0 112.181 -178.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.419 ' SD ' ' HA ' ' A' ' 81' ' ' PHE . 0.0 OUTLIER -81.69 -4.26 55.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.719 0.295 . . . . 0.0 110.921 -178.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 34.9 tp -116.04 -19.6 10.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.433 -176.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.445 ' HG3' ' O ' ' A' ' 81' ' ' PHE . 62.2 mtp180 -64.4 106.77 1.19 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.039 0.447 . . . . 0.0 111.385 -174.518 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.414 ' HE2' ' HB3' ' A' ' 86' ' ' LYS . 37.4 mtpt 59.78 16.1 5.32 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.078 -0.964 . . . . 0.0 110.902 -175.147 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 65.9 mtt -109.34 -23.03 11.77 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.668 -0.697 . . . . 0.0 111.01 -178.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.206 0 CA-C-O 118.696 -1.058 . . . . 0.0 111.456 178.72 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 35.9 p90 . . . . . 0 N--CA 1.481 1.107 0 CA-C-O 121.092 0.472 . . . . 0.0 110.684 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.653 ' H ' HD22 ' A' ' 2' ' ' LEU . 2.1 pt? -74.27 143.7 44.93 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 172.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.469 HD13 ' HA ' ' A' ' 8' ' ' ALA . 3.4 mm? -94.87 110.45 49.71 Favored Pre-proline 0 C--N 1.319 -0.726 0 CA-C-O 121.161 0.505 . . . . 0.0 110.971 -178.164 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.652 ' HB2' ' HB ' ' A' ' 7' ' ' THR . 42.3 Cg_exo -57.39 147.63 76.55 Favored 'Trans proline' 0 CA--C 1.529 0.262 0 C-N-CA 122.909 2.406 . . . . 0.0 111.757 176.248 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -54.54 115.19 2.22 Favored 'Trans proline' 0 C--O 1.238 0.505 0 C-N-CA 123.15 2.567 . . . . 0.0 112.939 -176.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 t 61.77 32.24 18.25 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-O 121.878 0.847 . . . . 0.0 110.068 -178.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.652 ' HB ' ' HB2' ' A' ' 4' ' ' PRO . 6.1 m -135.3 35.04 3.01 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 107.108 -1.441 . . . . 0.0 107.108 170.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.469 ' HA ' HD13 ' A' ' 3' ' ' LEU . . . -88.03 89.06 7.84 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 113.963 -1.471 . . . . 0.0 111.043 -170.611 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.625 ' HA ' ' NE2' ' A' ' 32' ' ' GLN . 49.3 t -104.02 81.57 1.87 Allowed 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 173.447 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 76.1 m -79.67 117.25 20.42 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.813 -177.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.1 p -94.63 2.05 55.6 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.305 0.574 . . . . 0.0 110.182 173.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -132.95 145.61 51.04 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.426 177.534 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 98.2 mt -122.1 142.13 50.69 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.535 -177.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.432 ' CE2' ' HB3' ' A' ' 16' ' ' LYS . 12.3 t80 -75.08 -40.42 60.12 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.743 -177.549 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 60.66 23.54 13.36 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 175.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.435 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 85.3 tttt -136.97 133.4 18.64 Favored Pre-proline 0 C--N 1.319 -0.739 0 CA-C-O 120.594 0.235 . . . . 0.0 110.53 -177.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.78 ' HA ' ' HB3' ' A' ' 60' ' ' SER . 33.7 Cg_exo -62.17 130.02 29.11 Favored 'Trans proline' 0 N--CA 1.464 -0.242 0 C-N-CA 122.737 2.292 . . . . 0.0 111.838 176.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.696 ' HB3' HD12 ' A' ' 22' ' ' LEU . 90.4 mt -84.34 160.96 20.58 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.821 -178.078 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.661 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 22.3 m -70.12 135.18 48.93 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.614 177.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.522 ' HA ' HD12 ' A' ' 23' ' ' LEU . 22.7 t70 -60.28 -32.52 71.27 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.963 0.411 . . . . 0.0 111.037 -178.535 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.473 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 36.7 mmtm -59.13 -45.69 90.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.336 177.227 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.696 HD12 ' HB3' ' A' ' 18' ' ' LEU . 4.2 pp -74.86 -26.57 59.77 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.194 177.102 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.538 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 58.4 mt -62.66 -46.11 89.69 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.325 179.74 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.473 ' HG2' ' O ' ' A' ' 21' ' ' LYS . 26.0 ptt180 -62.69 2.89 0.25 Allowed 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 179.19 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.509 ' HD3' ' HA ' ' A' ' 22' ' ' LEU . 24.2 mtpp -102.5 -17.41 15.78 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 122.747 0.419 . . . . 0.0 110.054 176.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 43.9 t -69.74 102.19 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.07 -174.314 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 33.9 pt -76.5 -26.09 16.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.208 -171.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 -146.14 155.33 42.66 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.015 0.436 . . . . 0.0 111.02 -178.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 40.6 t -120.18 115.43 47.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 172.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -105.26 113.83 27.64 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-O 121.557 0.694 . . . . 0.0 110.417 -175.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 41.4 tp -80.21 109.82 15.05 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.585 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.625 ' NE2' ' HA ' ' A' ' 9' ' ' CYS . 42.4 tt0 -72.12 103.88 3.44 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 171.552 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -74.28 152.05 39.75 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.941 -179.399 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.434 ' HB3' ' HB2' ' A' ' 41' ' ' GLN . . . -73.94 6.65 3.16 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 -173.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -164.65 -28.9 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.076 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -63.87 -55.17 26.14 Favored Glycine 0 C--N 1.331 0.256 0 CA-C-N 115.969 -0.559 . . . . 0.0 113.038 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -91.29 -39.05 12.27 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.36 0.6 . . . . 0.0 109.995 -177.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 35.3 t -168.84 172.93 7.42 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 9.8 t60 -88.25 76.87 8.34 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 118.957 0.799 . . . . 0.0 109.878 179.193 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.601 ' HB3' ' NE2' ' A' ' 32' ' ' GLN . 1.2 tm? -179.79 135.37 0.11 Allowed 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 106.881 -1.526 . . . . 0.0 106.881 -176.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.444 ' N ' HD11 ' A' ' 40' ' ' LEU . 41.8 tt0 -107.07 122.48 46.55 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.399 -0.521 . . . . 0.0 110.975 -178.252 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.561 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -153.39 151.14 29.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.002 0.429 . . . . 0.0 111.238 179.336 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.906 ' HB3' ' HG ' ' A' ' 61' ' ' LEU . 1.3 m-85 -102.3 105.12 15.7 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 173.019 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.426 HG12 ' O ' ' A' ' 52' ' ' ILE . 91.4 t -104.29 131.15 53.82 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.285 -171.457 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.468 HD11 HD11 ' A' ' 18' ' ' LEU . 67.7 mt -91.86 126.18 36.84 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.469 -178.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 11.5 t60 -107.75 109.49 21.08 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.923 -173.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 5.5 mp -98.54 165.98 11.57 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 174.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.46 -11.75 58.61 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.803 0.335 . . . . 0.0 111.684 -176.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -102.17 -47.14 4.62 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.971 0.415 . . . . 0.0 110.073 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.472 HH12 HD12 ' A' ' 52' ' ' ILE . 0.2 OUTLIER -163.79 173.21 13.08 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.02 -174.585 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 48.4 m -113.44 158.49 20.6 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.08 -178.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.472 HD12 HH12 ' A' ' 50' ' ' ARG . 62.5 mt -126.92 142.17 44.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.422 176.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 31.4 m -101.1 121.26 41.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.14 0.495 . . . . 0.0 110.673 -171.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.699 HD12 ' HG ' ' A' ' 60' ' ' SER . 37.5 mt -127.52 142.56 43.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.396 -175.193 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.511 ' O ' ' HB2' ' A' ' 58' ' ' ASN . 49.0 t-80 -63.22 130.81 94.48 Favored Pre-proline 0 C--N 1.33 -0.243 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 173.59 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.561 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 95.4 Cg_exo -44.87 -55.37 3.41 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 123.055 2.503 . . . . 0.0 112.867 -177.305 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 89.6 mm-40 -85.84 80.59 8.87 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.314 0.578 . . . . 0.0 109.958 174.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.511 ' HB2' ' O ' ' A' ' 55' ' ' HIS . 2.0 t30 -136.05 134.38 20.29 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.068 175.46 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo -58.42 -6.09 2.81 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 123.423 2.748 . . . . 0.0 112.996 -177.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.78 ' HB3' ' HA ' ' A' ' 17' ' ' PRO . 13.3 p -85.72 -43.71 13.14 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.852 178.054 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.906 ' HG ' ' HB3' ' A' ' 43' ' ' PHE . 0.2 OUTLIER -80.1 -41.44 25.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.009 0.433 . . . . 0.0 110.695 -174.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.537 ' HB3' ' HE3' ' A' ' 87' ' ' MET . 12.2 m -70.59 -47.55 59.65 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.607 0.718 . . . . 0.0 110.433 -176.247 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -59.52 -28.6 67.21 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.111 -0.949 . . . . 0.0 109.218 174.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.538 ' CZ3' ' HB3' ' A' ' 23' ' ' LEU . 9.2 t-105 -66.08 -40.18 90.62 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.605 177.5 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -53.13 -39.62 63.63 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.532 0.206 . . . . 0.0 111.007 178.349 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -75.89 -46.33 30.66 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.329 0.585 . . . . 0.0 110.769 177.116 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 11.1 m170 -64.19 -41.89 96.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.702 -177.072 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.532 ' HB3' ' CE2' ' A' ' 64' ' ' TRP . 4.3 pt20 -71.1 -24.84 62.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.648 0.261 . . . . 0.0 110.618 -179.166 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -61.45 -30.49 70.62 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.641 176.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 14.5 ptt180 -113.49 14.9 19.13 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 116.141 -0.482 . . . . 0.0 112.023 179.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.465 ' HD3' ' HB3' ' A' ' 24' ' ' ARG . 62.1 mttm -127.62 -159.6 0.95 Allowed 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 172.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.4 HD13 ' HZ2' ' A' ' 64' ' ' TRP . 6.8 mp 58.56 -89.17 0.02 OUTLIER 'General case' 0 C--N 1.346 0.416 0 CA-C-O 121.015 0.436 . . . . 0.0 111.87 -178.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 31.3 t-80 -157.35 -1.06 0.11 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.923 -177.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 73.89 14.6 80.02 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.208 -175.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 26.8 p -126.43 124.18 39.57 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 122.196 0.199 . . . . 0.0 110.748 -178.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 71.4 mt -147.54 154.58 44.99 Favored Pre-proline 0 N--CA 1.439 -0.986 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 -179.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -47.8 144.78 10.77 Favored 'Trans proline' 0 C--N 1.326 -0.609 0 C-N-CA 123.791 2.994 . . . . 0.0 113.073 171.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.568 ' HD3' ' HE2' ' A' ' 81' ' ' PHE . 31.6 mmtp -91.83 59.62 3.71 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.57 0.7 . . . . 0.0 109.496 176.508 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.9 pp -84.81 32.65 0.52 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.182 -0.917 . . . . 0.0 112.043 -174.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.455 ' O ' ' HG2' ' A' ' 83' ' ' MET . 11.0 m120 65.77 32.24 9.02 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.788 -179.08 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.568 ' HE2' ' HD3' ' A' ' 78' ' ' LYS . 34.7 p90 -58.36 -20.27 42.4 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.893 -175.658 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.52 ' O ' ' HG2' ' A' ' 86' ' ' LYS . . . -61.72 -24.48 64.39 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.433 176.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.455 ' HG2' ' O ' ' A' ' 80' ' ' ASN . 26.0 ptt? -64.11 -26.43 68.54 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 121.1 0.476 . . . . 0.0 111.365 -177.623 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.412 ' C ' ' H ' ' A' ' 86' ' ' LYS . 23.0 tp -97.12 -36.1 10.58 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.903 -174.599 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -83.99 34.72 0.51 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.867 0.841 . . . . 0.0 111.545 -177.161 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.52 ' HG2' ' O ' ' A' ' 82' ' ' GLY . 74.5 mmtt -104.71 -12.53 16.31 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-N 114.666 -1.152 . . . . 0.0 108.1 171.108 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.844 ' HA ' ' HE2' ' A' ' 87' ' ' MET . 17.3 mmt 57.35 82.13 0.13 Allowed 'General case' 0 C--O 1.234 0.261 0 CA-C-N 114.28 -1.327 . . . . 0.0 110.755 -174.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.976 0 CA-C-O 118.727 -1.041 . . . . 0.0 111.259 -178.056 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 42.2 p90 . . . . . 0 N--CA 1.481 1.077 0 CA-C-O 121.396 0.617 . . . . 0.0 110.764 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.487 ' O ' ' HD3' ' A' ' 4' ' ' PRO . 3.5 pp -120.47 145.29 47.39 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.13 175.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.431 HD13 ' HA ' ' A' ' 3' ' ' LEU . 4.0 mm? -73.17 112.33 15.22 Favored Pre-proline 0 C--N 1.321 -0.661 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.323 178.73 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.487 ' HD3' ' O ' ' A' ' 2' ' ' LEU . 34.1 Cg_exo -57.87 147.6 80.41 Favored 'Trans proline' 0 C--O 1.235 0.334 0 C-N-CA 122.789 2.326 . . . . 0.0 112.065 179.1 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.85 127.65 26.45 Favored 'Trans proline' 0 C--O 1.235 0.361 0 C-N-CA 122.858 2.372 . . . . 0.0 112.598 -178.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.9 m 65.05 25.69 12.58 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.615 177.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.9 m -116.66 84.07 2.07 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.32 0.581 . . . . 0.0 109.89 176.007 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -90.71 89.53 7.55 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.793 -0.639 . . . . 0.0 112.11 -173.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 15.3 t -151.26 67.08 0.9 Allowed 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 122.009 0.909 . . . . 0.0 108.632 170.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 15.8 t -91.42 138.23 31.74 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.33 -1.304 . . . . 0.0 110.402 -178.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.6 p -117.76 -32.75 4.73 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 177.514 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -87.77 98.5 11.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.709 0.766 . . . . 0.0 111.236 177.442 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.59 HD23 ' SG ' ' A' ' 53' ' ' CYS . 15.3 mt -86.12 141.89 29.07 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.789 -175.816 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.44 ' CE2' ' HB2' ' A' ' 16' ' ' LYS . 50.1 t80 -68.87 -21.54 64.26 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.629 -174.675 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 27.2 ptt180 45.39 31.78 0.92 Allowed 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 113.635 0.976 . . . . 0.0 113.635 174.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.44 ' HB2' ' CE2' ' A' ' 14' ' ' TYR . 59.7 mttp -142.85 149.62 50.39 Favored Pre-proline 0 C--N 1.328 -0.343 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 176.766 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.53 ' HA ' ' HB2' ' A' ' 60' ' ' SER . 9.9 Cg_exo -71.94 136.83 28.23 Favored 'Trans proline' 0 C--O 1.234 0.305 0 C-N-CA 122.97 2.447 . . . . 0.0 111.817 176.274 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.78 ' HB3' HD12 ' A' ' 22' ' ' LEU . 68.5 mt -90.08 162.22 15.43 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.761 -178.081 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.53 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 46.2 m -93.8 145.09 24.85 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.073 -178.191 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.498 ' OD1' ' HE3' ' A' ' 71' ' ' LYS . 20.8 t70 -59.83 -36.93 77.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.727 -174.619 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.575 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 60.0 mttp -60.01 -45.8 91.57 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.356 -179.794 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.78 HD12 ' HB3' ' A' ' 18' ' ' LEU . 4.4 pp -74.39 -27.96 60.88 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.457 -0.497 . . . . 0.0 110.576 176.582 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.465 ' HA ' HG23 ' A' ' 26' ' ' VAL . 67.7 mt -66.32 -37.9 86.46 Favored 'General case' 0 C--O 1.225 -0.237 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.312 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.665 ' HB3' ' HD3' ' A' ' 71' ' ' LYS . 10.9 ptt180 -67.04 4.19 0.94 Allowed 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 121.114 0.483 . . . . 0.0 111.676 -179.041 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.479 ' HE2' ' HA ' ' A' ' 22' ' ' LEU . 34.6 mtmt -117.41 2.15 12.43 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.318 177.8 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.59 HG21 ' HG ' ' A' ' 47' ' ' LEU . 61.8 t -84.08 95.5 3.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 178.679 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 36.9 pt -77.26 -19.92 14.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.152 -170.104 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.722 ' HB2' ' HB3' ' A' ' 46' ' ' HIS . 24.4 mm-40 -134.33 135.81 43.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.0 0.429 . . . . 0.0 111.563 -178.145 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.446 ' HB ' ' HG3' ' A' ' 77' ' ' PRO . 42.5 t -116.65 115.17 48.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 172.149 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -127.3 141.62 51.66 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.494 0.664 . . . . 0.0 111.992 -173.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 53.8 tp -94.88 125.74 39.75 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.602 -179.349 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.4 ' HB3' ' HB2' ' A' ' 42' ' ' ALA . 42.8 tt0 -90.87 113.41 25.59 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.314 173.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -79.65 138.91 37.53 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.955 -175.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.645 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . . . -75.37 -4.48 39.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.489 -178.463 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -133.9 -15.51 2.33 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.853 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -75.98 -87.9 0.29 Allowed Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.827 -176.375 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -96.7 2.33 51.95 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 122.743 -0.269 . . . . 0.0 111.44 -177.205 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.7 t -159.17 178.87 9.55 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 -175.246 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 11.3 p-80 -108.01 13.21 26.3 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.078 0.466 . . . . 0.0 110.37 177.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -135.84 131.37 35.27 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 -176.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.645 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 36.1 tt0 -86.69 125.98 34.24 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.569 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -143.54 161.97 37.09 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.122 0.487 . . . . 0.0 111.04 -178.111 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.54 ' CB ' ' HG ' ' A' ' 61' ' ' LEU . 59.7 m-85 -118.22 105.92 12.29 Favored 'General case' 0 C--N 1.314 -0.949 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 173.761 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 26.0 t -102.87 129.37 54.64 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.969 0 CA-C-O 121.311 0.577 . . . . 0.0 110.698 -172.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.544 HD13 HD13 ' A' ' 18' ' ' LEU . 72.8 mt -101.78 121.22 41.67 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.915 -179.26 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.722 ' HB3' ' HB2' ' A' ' 28' ' ' GLN . 64.7 t60 -108.98 110.07 21.27 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.282 -170.641 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.59 ' HG ' HG21 ' A' ' 26' ' ' VAL . 4.6 mp -93.87 166.69 12.06 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.19 177.597 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -77.48 -5.19 49.08 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.184 0.516 . . . . 0.0 110.838 -176.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -121.96 -11.1 8.56 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.88 -177.481 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -175.36 177.98 1.75 Allowed 'General case' 0 N--CA 1.463 0.178 0 C-N-CA 121.204 -0.199 . . . . 0.0 110.9 -170.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 17.9 m -140.01 136.95 34.24 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 177.397 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 64.3 mt -116.97 138.79 46.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 179.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.59 ' SG ' HD23 ' A' ' 13' ' ' LEU . 35.7 t -102.49 120.59 40.78 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.016 0.436 . . . . 0.0 110.407 -174.522 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.436 ' HB ' ' O ' ' A' ' 43' ' ' PHE . 1.6 mt -115.03 143.42 24.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.542 0.687 . . . . 0.0 111.475 -176.538 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.51 ' O ' ' HB2' ' A' ' 58' ' ' ASN . 40.8 t-80 -83.58 139.78 41.15 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.999 179.255 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.569 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 18.3 Cg_endo -60.56 153.04 64.09 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.252 1.968 . . . . 0.0 111.459 176.007 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.462 ' HB2' ' O ' ' A' ' 56' ' ' PRO . 79.0 mt-30 71.17 9.26 6.62 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 122.677 0.391 . . . . 0.0 111.612 -176.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.51 ' HB2' ' O ' ' A' ' 55' ' ' HIS . 3.6 m120 -87.74 126.1 62.75 Favored Pre-proline 0 C--O 1.234 0.274 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 172.353 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_exo -52.34 -35.3 64.1 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 123.305 2.67 . . . . 0.0 112.822 -176.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.53 ' HB2' ' HA ' ' A' ' 17' ' ' PRO . 31.8 t -58.63 -28.92 66.11 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.272 -0.422 . . . . 0.0 112.068 -176.234 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.54 ' HG ' ' CB ' ' A' ' 43' ' ' PHE . 0.6 OUTLIER -80.63 -47.17 14.5 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.123 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 32.8 t -62.91 -45.94 90.13 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.103 0.478 . . . . 0.0 110.303 -179.086 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -64.45 -27.15 68.79 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.22 177.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.448 ' CZ3' ' HB3' ' A' ' 23' ' ' LEU . 11.4 t-105 -71.32 -33.38 69.6 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.696 177.563 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -60.26 -36.37 77.64 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.255 -0.578 . . . . 0.0 110.381 174.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.419 ' O ' ' HB3' ' A' ' 69' ' ' GLU . 75.3 mm-40 -73.52 -43.47 59.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.301 175.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.562 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 10.3 m170 -71.19 -37.54 72.13 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.353 -177.731 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.416 ' HG2' HD23 ' A' ' 72' ' ' LEU . 0.5 OUTLIER -60.07 -41.14 91.78 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.102 0.477 . . . . 0.0 109.928 175.831 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.419 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 4.6 tp10 -53.66 -35.15 60.71 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.19 -0.914 . . . . 0.0 110.618 176.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.3 ptp180 -113.63 31.5 6.46 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.458 -176.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.665 ' HD3' ' HB3' ' A' ' 24' ' ' ARG . 7.3 ttmm -154.92 -163.31 1.54 Allowed 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.701 -0.227 . . . . 0.0 110.666 -176.12 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.495 HD21 ' O ' ' A' ' 26' ' ' VAL . 6.8 mp 60.43 -81.74 0.02 OUTLIER 'General case' 0 C--N 1.344 0.343 0 N-CA-C 113.991 1.108 . . . . 0.0 113.991 179.463 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 177.97 -26.69 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 -164.343 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 119.66 0.49 13.7 Favored Glycine 0 N--CA 1.448 -0.511 0 N-CA-C 110.295 -1.122 . . . . 0.0 110.295 -171.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.444 ' HG1' HD22 ' A' ' 72' ' ' LEU . 16.5 p -76.56 118.16 18.93 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 114.883 -0.659 . . . . 0.0 110.254 178.728 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.611 HD11 ' C ' ' A' ' 76' ' ' LEU . 4.0 pp -143.64 151.93 55.0 Favored Pre-proline 0 C--N 1.315 -0.907 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.851 -173.643 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.446 ' HG3' ' HB ' ' A' ' 29' ' ' VAL . 98.2 Cg_endo -82.63 139.3 9.98 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 122.515 2.143 . . . . 0.0 113.132 -176.444 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -87.95 65.72 8.39 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.931 -177.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.1 pp -128.0 14.41 6.82 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.155 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 9.5 t30 50.23 88.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.606 -1.179 . . . . 0.0 111.522 -177.187 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 6.2 p90 -90.9 8.01 37.17 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.286 -179.164 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -69.36 -12.65 66.6 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 121.038 -0.601 . . . . 0.0 111.856 177.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.64 0.96 40.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.64 0.257 . . . . 0.0 111.082 179.146 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 50.8 tp -132.39 -27.91 1.72 Allowed 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -176.164 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 65.2 mtp180 -60.11 120.76 10.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.123 0.487 . . . . 0.0 111.912 -175.027 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.444 ' HD2' ' HA ' ' A' ' 86' ' ' LYS . 18.0 tptm 65.73 15.17 9.93 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 114.716 -1.129 . . . . 0.0 110.404 178.278 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 65.5 mtt -107.59 -10.28 15.71 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.327 -0.852 . . . . 0.0 109.796 177.388 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.115 -1.38 . . . . 0.0 110.834 177.959 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 38.3 t80 . . . . . 0 N--CA 1.478 0.975 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.52 ' O ' ' HD3' ' A' ' 4' ' ' PRO . 7.8 tt -76.88 129.21 35.9 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.293 175.03 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -79.15 107.71 6.81 Favored Pre-proline 0 C--N 1.323 -0.548 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 176.162 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.694 ' HB2' ' HB ' ' A' ' 7' ' ' THR . 19.9 Cg_exo -64.96 143.01 77.65 Favored 'Trans proline' 0 C--O 1.233 0.268 0 C-N-CA 122.739 2.292 . . . . 0.0 112.405 -178.334 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.426 ' C ' ' HG ' ' A' ' 6' ' ' SER . 52.7 Cg_exo -55.25 133.29 57.25 Favored 'Trans proline' 0 C--O 1.236 0.403 0 C-N-CA 122.828 2.352 . . . . 0.0 111.643 177.547 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.426 ' HG ' ' C ' ' A' ' 5' ' ' PRO . 13.5 p 53.85 26.56 6.25 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 123.519 0.728 . . . . 0.0 111.543 -179.267 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.694 ' HB ' ' HB2' ' A' ' 4' ' ' PRO . 31.2 m -132.9 85.4 2.22 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.708 176.731 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.469 ' O ' ' HG3' ' A' ' 32' ' ' GLN . . . -80.77 88.22 5.82 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.4 179.733 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 82.8 m -131.63 106.05 7.92 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.622 177.45 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.465 ' HB2' HE22 ' A' ' 32' ' ' GLN . 97.4 m -110.04 118.77 37.32 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.97 -175.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.8 p -105.07 1.65 28.71 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.64 0.733 . . . . 0.0 109.549 168.427 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -144.36 158.89 43.51 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.586 -178.611 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.425 HD11 ' HB3' ' A' ' 55' ' ' HIS . 87.1 mt -137.02 153.42 50.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.194 -178.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 56.9 t80 -81.43 -37.86 27.39 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 177.284 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 91.0 mtt180 74.39 -40.39 0.45 Allowed 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.811 0.844 . . . . 0.0 112.507 173.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.2 mptp? -79.23 162.33 64.46 Favored Pre-proline 0 C--N 1.324 -0.512 0 C-N-CA 122.349 0.26 . . . . 0.0 111.037 178.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -74.83 158.82 42.59 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.494 2.129 . . . . 0.0 112.498 176.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.758 ' HB3' HD13 ' A' ' 22' ' ' LEU . 89.8 mt -103.42 146.1 28.99 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.152 -177.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.655 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 13.6 m -76.14 143.79 40.99 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.479 178.413 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.495 ' HA ' HD11 ' A' ' 23' ' ' LEU . 12.4 t70 -62.65 -28.9 70.24 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 120.83 0.348 . . . . 0.0 110.948 -177.492 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.526 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 57.7 mtpt -57.03 -46.74 82.15 Favored 'General case' 0 C--O 1.227 -0.122 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.214 176.699 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.758 HD13 ' HB3' ' A' ' 18' ' ' LEU . 4.4 pp -75.01 -27.67 60.21 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.611 -0.435 . . . . 0.0 110.291 178.562 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.642 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 77.6 mt -65.02 -40.01 94.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.023 -178.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.561 ' HB3' ' HD3' ' A' ' 71' ' ' LYS . 19.3 ptp180 -72.05 3.9 4.0 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.339 0.59 . . . . 0.0 111.079 179.431 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 54.8 mtmt -116.18 6.55 13.93 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.95 178.09 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.732 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 47.1 t -76.54 152.71 5.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 175.08 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.504 HD11 ' HA ' ' A' ' 48' ' ' ALA . 30.1 pt -123.58 -31.75 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 C-N-CA 120.866 -0.334 . . . . 0.0 111.321 179.325 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.428 ' HB2' ' HB3' ' A' ' 46' ' ' HIS . 84.4 mm-40 -139.13 152.63 47.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.172 0.51 . . . . 0.0 111.605 -175.719 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 86.8 t -123.96 134.52 66.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 174.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.509 ' HG3' ' HB ' ' A' ' 44' ' ' VAL . 1.5 pt-20 -136.0 141.74 44.4 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.268 0.556 . . . . 0.0 112.03 -174.424 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 50.7 tp -107.66 115.67 30.56 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.94 176.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.469 ' HG3' ' O ' ' A' ' 8' ' ' ALA . 8.5 tt0 -73.56 104.55 4.56 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 176.436 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -74.21 123.95 25.46 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 175.265 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.426 ' HB3' ' HB2' ' A' ' 41' ' ' GLN . . . -70.88 30.05 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 114.434 1.272 . . . . 0.0 114.434 -163.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -177.2 -39.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.602 0.239 . . . . 0.0 111.278 -178.428 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -59.63 -29.69 67.42 Favored Glycine 0 C--O 1.235 0.163 0 CA-C-N 116.078 -0.51 . . . . 0.0 113.272 -177.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -127.16 -51.09 1.42 Allowed 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 177.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 6.5 m -149.51 161.89 41.23 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.151 176.341 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.48 ' O ' ' HB3' ' A' ' 40' ' ' LEU . 11.5 p-80 -72.88 165.42 24.96 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 110.473 -0.195 . . . . 0.0 110.473 179.597 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.48 ' HB3' ' O ' ' A' ' 39' ' ' HIS . 55.9 tp 73.74 132.5 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.448 0 O-C-N 123.972 0.795 . . . . 0.0 110.705 -176.854 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.426 ' HB2' ' HB3' ' A' ' 34' ' ' ALA . 53.3 tt0 -100.55 134.51 43.4 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.603 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.56 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -155.04 148.34 24.99 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.995 0.426 . . . . 0.0 112.112 -178.252 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -97.73 107.58 20.1 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.403 -0.817 . . . . 0.0 108.914 172.014 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.509 ' HB ' ' HG3' ' A' ' 30' ' ' GLU . 48.6 t -106.34 134.7 47.17 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.052 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.95 -172.436 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.492 HD12 HD12 ' A' ' 18' ' ' LEU . 67.7 mt -105.6 119.65 39.66 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.842 -178.244 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.428 ' HB3' ' HB2' ' A' ' 28' ' ' GLN . 1.7 t60 -104.16 107.09 17.83 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.586 -172.167 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.732 ' HA ' ' HA ' ' A' ' 26' ' ' VAL . 6.9 mp -87.53 167.75 13.67 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.035 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.504 ' HA ' HD11 ' A' ' 27' ' ' ILE . . . -62.22 -26.42 68.36 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.161 0.505 . . . . 0.0 111.295 -177.352 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.94 9.96 3.58 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.412 -178.273 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.532 ' HB2' ' HB2' ' A' ' 47' ' ' LEU . 65.9 mtt180 -146.5 170.22 17.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.041 0.448 . . . . 0.0 111.436 -175.661 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 41.8 m -151.92 122.79 7.52 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.321 173.023 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.592 HG22 HD21 ' A' ' 18' ' ' LEU . 3.7 mp -117.61 130.62 72.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 179.633 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.422 ' SG ' HG22 ' A' ' 44' ' ' VAL . 30.1 t -102.77 121.52 42.64 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.289 0.566 . . . . 0.0 110.237 -177.634 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 28.3 mt -121.37 136.94 56.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.34 -177.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.425 ' HB3' HD11 ' A' ' 13' ' ' LEU . 7.3 p80 -76.72 151.12 82.34 Favored Pre-proline 0 C--N 1.327 -0.405 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 177.815 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.56 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 31.9 Cg_exo -57.64 152.67 47.15 Favored 'Trans proline' 0 CA--C 1.528 0.212 0 C-N-CA 122.638 2.225 . . . . 0.0 112.217 -179.39 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 64.88 70.29 0.48 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.849 0.833 . . . . 0.0 110.24 -175.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -139.26 132.95 15.86 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.624 179.355 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.589 ' O ' ' HG3' ' A' ' 63' ' ' GLN . 5.4 Cg_endo -47.95 -52.12 8.76 Favored 'Trans proline' 0 N--CA 1.462 -0.344 0 C-N-CA 123.342 2.695 . . . . 0.0 112.547 -179.789 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 12.8 t -62.91 -39.35 94.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.751 0.31 . . . . 0.0 110.973 -175.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 61' ' ' LEU . 0.6 OUTLIER -66.17 -46.68 76.56 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.844 -179.55 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 60.8 m -62.54 -45.07 94.64 Favored 'General case' 0 C--O 1.243 0.731 0 CA-C-O 121.341 0.591 . . . . 0.0 111.026 177.26 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.589 ' HG3' ' O ' ' A' ' 59' ' ' PRO . 45.3 mt-30 -56.99 -39.52 74.83 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.095 176.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.642 ' CZ3' ' HB3' ' A' ' 23' ' ' LEU . 22.8 t-105 -68.0 -31.36 71.0 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.241 -177.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.442 ' HA ' HE21 ' A' ' 68' ' ' GLN . 10.0 m-30 -52.99 -54.39 35.9 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-O 121.189 0.519 . . . . 0.0 110.208 175.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.4 ' O ' ' HG2' ' A' ' 70' ' ' ARG . 37.8 mt-10 -74.8 -35.28 62.49 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.279 -179.446 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.408 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 7.6 m170 -68.35 -41.67 80.35 Favored 'General case' 0 C--O 1.223 -0.308 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.682 -178.371 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.442 HE21 ' HA ' ' A' ' 65' ' ' PHE . 29.7 pt20 -64.64 -33.21 75.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.93 0.395 . . . . 0.0 110.449 -179.158 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -64.07 -28.91 70.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.352 179.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.4 ' HG2' ' O ' ' A' ' 66' ' ' GLU . 15.9 ptm180 -114.2 25.71 10.88 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.655 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.561 ' HD3' ' HB3' ' A' ' 24' ' ' ARG . 10.0 ttmm -145.74 -171.31 3.66 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 -178.791 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.58 HD21 HD21 ' A' ' 76' ' ' LEU . 6.7 mp 58.31 -81.25 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 112.608 0.595 . . . . 0.0 112.608 -176.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 13.2 t-80 -175.38 -22.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.69 -172.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 99.38 -14.09 61.09 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.814 -0.708 . . . . 0.0 111.448 -178.093 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 12.7 p -84.08 93.48 8.12 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-O 121.15 0.5 . . . . 0.0 110.843 179.042 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.58 HD21 HD21 ' A' ' 72' ' ' LEU . 66.6 mt -144.31 162.33 40.35 Favored Pre-proline 0 N--CA 1.441 -0.913 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 -174.44 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_exo -44.24 125.05 5.44 Favored 'Trans proline' 0 N--CA 1.462 -0.339 0 C-N-CA 123.079 2.519 . . . . 0.0 112.249 169.309 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 83.9 mttt -85.64 50.23 1.92 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.676 0.751 . . . . 0.0 110.198 -175.356 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.5 pp -90.72 33.81 0.92 Allowed 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 114.668 -1.151 . . . . 0.0 111.439 -175.018 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 72.28 12.24 5.78 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-O 122.491 1.139 . . . . 0.0 108.916 -178.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.451 ' HB2' HH11 ' A' ' 85' ' ' ARG . 14.8 m-85 47.89 33.13 3.11 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 113.524 -1.671 . . . . 0.0 112.334 -177.414 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 155.17 -29.25 0.64 Allowed Glycine 0 N--CA 1.439 -1.135 0 C-N-CA 120.392 -0.908 . . . . 0.0 112.461 178.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 38.1 mtm 71.93 -53.53 0.69 Allowed 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 123.637 0.775 . . . . 0.0 110.864 -176.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.765 ' HA ' ' HB3' ' A' ' 87' ' ' MET . 0.0 OUTLIER -100.52 3.56 42.91 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 115.087 -0.961 . . . . 0.0 112.235 -177.208 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.451 HH11 ' HB2' ' A' ' 81' ' ' PHE . 7.0 ptm180 -70.66 110.52 5.53 Favored 'General case' 0 CA--C 1.52 -0.209 0 C-N-CA 120.439 -0.504 . . . . 0.0 110.232 -178.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 66.8 mmtt 70.49 8.81 6.74 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 114.785 -1.098 . . . . 0.0 110.236 -174.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.765 ' HB3' ' HA ' ' A' ' 84' ' ' LEU . 51.0 tpp -99.27 -30.25 12.35 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.999 -179.393 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.867 -0.963 . . . . 0.0 111.331 178.951 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 38.0 t80 . . . . . 0 N--CA 1.477 0.921 0 CA-C-O 121.071 0.462 . . . . 0.0 110.189 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.434 ' O ' ' HD3' ' A' ' 4' ' ' PRO . 4.5 pp -148.49 145.79 28.09 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 177.128 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -75.91 110.75 11.77 Favored Pre-proline 0 C--N 1.321 -0.646 0 N-CA-C 110.164 -0.31 . . . . 0.0 110.164 176.466 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.824 ' HB2' ' HB ' ' A' ' 7' ' ' THR . 21.6 Cg_exo -64.6 138.77 60.74 Favored 'Trans proline' 0 CA--C 1.53 0.302 0 C-N-CA 122.989 2.46 . . . . 0.0 112.441 -177.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.495 ' HA ' ' CE1' ' A' ' 46' ' ' HIS . 50.4 Cg_exo -54.7 121.87 10.58 Favored 'Trans proline' 0 C--O 1.235 0.332 0 C-N-CA 123.244 2.629 . . . . 0.0 112.577 179.61 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.6 m 69.79 4.29 4.68 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.177 178.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.824 ' HB ' ' HB2' ' A' ' 4' ' ' PRO . 3.0 m -122.52 35.64 4.83 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 122.152 0.977 . . . . 0.0 108.532 177.22 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.56 118.69 15.78 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 114.238 -1.346 . . . . 0.0 109.558 -177.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 36.4 t -131.14 74.76 1.61 Allowed 'General case' 0 C--N 1.31 -1.147 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -179.481 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 63.7 m -88.42 123.33 32.86 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 114.15 -1.386 . . . . 0.0 111.627 -171.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 15.7 p -99.43 10.76 40.78 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.9 0.857 . . . . 0.0 108.69 169.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.6 126.66 50.86 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 114.605 -1.179 . . . . 0.0 109.142 -178.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.457 HD13 ' HB2' ' A' ' 55' ' ' HIS . 87.0 mt -111.73 110.84 21.42 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 120.894 0.378 . . . . 0.0 110.678 179.186 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.66 ' CE2' ' HB2' ' A' ' 16' ' ' LYS . 27.9 t80 -65.95 -54.0 31.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.126 -178.541 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 50.0 mtp180 71.86 -13.45 0.58 Allowed 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 171.286 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.66 ' HB2' ' CE2' ' A' ' 14' ' ' TYR . 46.2 mmtm -72.33 145.91 88.63 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-O 120.529 0.204 . . . . 0.0 110.529 179.177 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.509 ' HA ' ' HB3' ' A' ' 60' ' ' SER . 19.4 Cg_exo -65.92 114.0 2.8 Favored 'Trans proline' 0 N--CA 1.461 -0.396 0 C-N-CA 122.606 2.204 . . . . 0.0 111.127 175.102 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.755 HD11 HD13 ' A' ' 45' ' ' LEU . 71.7 mt -75.56 146.34 40.53 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.085 0.469 . . . . 0.0 110.967 -178.254 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.636 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 16.6 m -78.11 138.51 38.77 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.967 -178.118 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.618 ' OD1' ' HE3' ' A' ' 71' ' ' LYS . 29.0 t70 -59.05 -33.07 70.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.509 -176.271 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.407 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 97.2 mttt -58.87 -47.09 86.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.157 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.636 ' HG ' ' O ' ' A' ' 19' ' ' SER . 4.5 pp -74.84 -27.95 60.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.691 0.282 . . . . 0.0 110.548 177.614 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' A' ' 19' ' ' SER . 60.9 mt -63.46 -48.04 79.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.771 -177.155 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.633 ' HB3' ' HD3' ' A' ' 71' ' ' LYS . 16.3 ptm180 -55.14 -21.24 12.55 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 120.927 0.394 . . . . 0.0 111.924 179.588 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.401 ' HE3' ' HA ' ' A' ' 22' ' ' LEU . 48.8 mtmt -93.64 10.98 30.52 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.113 0.482 . . . . 0.0 111.582 -178.436 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.615 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 6.4 t -74.17 129.67 36.36 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.869 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 171.682 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.574 HD13 ' HA ' ' A' ' 48' ' ' ALA . 19.9 pt -94.34 -30.68 4.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.242 -175.294 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 72.8 mm-40 -152.94 157.02 40.0 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.25 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 40.4 t -116.59 120.07 63.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 174.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.411 ' HG3' ' HB ' ' A' ' 44' ' ' VAL . 3.4 pt-20 -107.42 131.94 53.73 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.231 0.538 . . . . 0.0 110.962 -175.345 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 55.0 tp -102.18 116.24 32.25 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.552 -178.291 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -87.38 110.88 20.57 Favored 'General case' 0 C--N 1.314 -0.975 0 N-CA-C 108.183 -1.044 . . . . 0.0 108.183 173.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.485 ' OE1' ' HA3' ' A' ' 36' ' ' GLY . 80.1 mt-10 -67.31 164.34 18.66 Favored 'General case' 0 C--N 1.318 -0.766 0 C-N-CA 121.061 -0.256 . . . . 0.0 110.355 -177.513 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.31 -11.38 60.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.809 0.337 . . . . 0.0 111.55 -172.162 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.494 ' HA ' ' HA ' ' A' ' 39' ' ' HIS . 14.9 t70 -175.62 25.08 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.25 -1.018 . . . . 0.0 108.25 -177.245 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.485 ' HA3' ' OE1' ' A' ' 33' ' ' GLU . . . -117.18 95.05 0.65 Allowed Glycine 0 N--CA 1.446 -0.689 0 CA-C-N 114.978 -1.01 . . . . 0.0 111.156 -177.53 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 36.7 t70 99.95 -38.35 0.01 OUTLIER 'General case' 0 CA--C 1.506 -0.747 0 C-N-CA 125.815 1.646 . . . . 0.0 107.022 -175.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 74.1 m -153.61 158.32 40.97 Favored 'General case' 0 N--CA 1.442 -0.862 0 CA-C-N 113.687 -1.597 . . . . 0.0 109.46 173.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.494 ' HA ' ' HA ' ' A' ' 35' ' ' ASP . 13.1 p-80 -79.06 164.01 24.68 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 171.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.404 ' HB3' ' O ' ' A' ' 39' ' ' HIS . 2.1 tm? 75.03 105.31 0.07 Allowed 'General case' 0 N--CA 1.467 0.382 0 O-C-N 123.951 0.782 . . . . 0.0 110.17 179.134 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -75.54 132.61 40.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.69 -178.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.545 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -144.63 137.26 26.55 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.248 -178.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.664 ' HB3' ' HG ' ' A' ' 61' ' ' LEU . 4.8 m-85 -94.02 104.19 16.24 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 171.218 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.431 HG23 ' HA ' ' A' ' 53' ' ' CYS . 60.6 t -106.68 128.12 61.61 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-O 121.278 0.561 . . . . 0.0 111.065 -172.272 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.755 HD13 HD11 ' A' ' 18' ' ' LEU . 66.8 mt -95.1 123.57 38.67 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.291 -177.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.495 ' CE1' ' HA ' ' A' ' 5' ' ' PRO . 5.0 t60 -103.34 99.25 9.09 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.575 -173.791 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.615 ' HA ' ' HA ' ' A' ' 26' ' ' VAL . 6.8 mp -76.48 164.87 25.55 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 173.222 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.574 ' HA ' HD13 ' A' ' 27' ' ' ILE . . . -64.03 -14.21 52.55 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.794 0.331 . . . . 0.0 111.761 -178.143 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -108.26 -34.74 6.73 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.555 -176.434 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 50' ' ' ARG . 0.0 OUTLIER -166.98 165.58 15.79 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.72 0.295 . . . . 0.0 111.517 -176.942 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 67.4 m -98.25 145.32 26.76 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 178.435 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.501 HG23 HD23 ' A' ' 18' ' ' LEU . 67.6 mt -117.52 125.97 74.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 173.303 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.431 ' HA ' HG23 ' A' ' 44' ' ' VAL . 6.2 m -100.64 120.96 40.83 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.311 0.577 . . . . 0.0 110.376 -170.034 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.7 HD12 ' HG ' ' A' ' 60' ' ' SER . 59.3 mt -124.25 139.38 50.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.396 -173.514 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.485 ' O ' ' HB2' ' A' ' 58' ' ' ASN . 50.6 t-80 -74.19 135.94 76.12 Favored Pre-proline 0 C--N 1.325 -0.46 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 173.469 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.545 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 68.5 Cg_exo -53.65 168.16 0.8 Allowed 'Trans proline' 0 CA--C 1.531 0.326 0 C-N-CA 122.937 2.424 . . . . 0.0 112.602 177.034 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.414 ' HB2' ' O ' ' A' ' 56' ' ' PRO . 31.1 mm-40 69.81 -1.13 2.43 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 122.851 0.461 . . . . 0.0 111.711 -177.427 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.485 ' HB2' ' O ' ' A' ' 55' ' ' HIS . 3.6 t30 -80.31 127.34 76.62 Favored Pre-proline 0 C--N 1.329 -0.323 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_endo -49.81 -33.61 33.38 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 123.712 2.941 . . . . 0.0 112.882 -176.086 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.7 ' HG ' HD12 ' A' ' 54' ' ' ILE . 49.4 p -57.85 -48.48 79.66 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.453 -179.075 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.664 ' HG ' ' HB3' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -70.2 -41.65 73.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.028 -176.938 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 35.6 t -60.99 -48.97 79.38 Favored 'General case' 0 C--O 1.24 0.554 0 CA-C-O 121.231 0.539 . . . . 0.0 110.667 179.405 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -63.93 -30.81 71.86 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.24 177.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.481 ' CZ3' ' HB3' ' A' ' 23' ' ' LEU . 18.6 t-105 -70.42 -32.88 70.67 Favored 'General case' 0 C--O 1.219 -0.516 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.932 178.239 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.451 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 7.1 m-85 -54.85 -45.37 74.53 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.13 0.491 . . . . 0.0 110.425 174.593 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.439 ' OE1' ' HD2' ' A' ' 85' ' ' ARG . 5.9 mm-40 -71.44 -46.08 60.97 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.578 0.704 . . . . 0.0 111.064 177.754 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -67.7 -32.88 73.82 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.923 -176.204 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.451 ' HG2' ' O ' ' A' ' 65' ' ' PHE . 2.8 pt20 -70.43 -29.33 65.89 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 179.104 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -63.57 -27.26 69.13 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.063 0.458 . . . . 0.0 110.22 177.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -108.42 15.09 24.23 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 179.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.633 ' HD3' ' HB3' ' A' ' 24' ' ' ARG . 54.4 mttm -136.4 -159.9 1.0 Allowed 'General case' 0 N--CA 1.467 0.38 0 O-C-N 122.37 -0.206 . . . . 0.0 110.838 177.415 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.472 HD12 ' HZ2' ' A' ' 64' ' ' TRP . 7.3 mp 57.13 -83.47 0.02 OUTLIER 'General case' 0 C--N 1.343 0.298 0 O-C-N 123.522 0.514 . . . . 0.0 111.645 -174.303 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.436 ' HB3' ' OG1' ' A' ' 75' ' ' THR . 59.2 t-80 -172.35 -5.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.582 -177.693 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 97.36 -8.72 64.65 Favored Glycine 0 N--CA 1.448 -0.561 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 -170.122 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.436 ' OG1' ' HB3' ' A' ' 73' ' ' HIS . 0.6 OUTLIER -78.84 107.07 11.29 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.132 -0.534 . . . . 0.0 111.129 178.847 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 80.3 mt -132.74 147.55 65.96 Favored Pre-proline 0 C--N 1.32 -0.695 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -83.29 179.65 4.92 Favored 'Trans proline' 0 N--CA 1.454 -0.814 0 C-N-CA 122.565 2.176 . . . . 0.0 111.529 178.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.424 ' HD2' ' HA ' ' A' ' 78' ' ' LYS . 36.4 tptt -88.32 60.72 5.85 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.633 0.73 . . . . 0.0 109.353 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -87.77 19.19 3.59 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.909 -1.041 . . . . 0.0 110.944 -178.485 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 65.0 m-20 58.37 68.17 0.86 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.877 -1.056 . . . . 0.0 110.817 -177.466 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 15.0 p90 -84.06 20.55 1.53 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.938 -179.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -131.88 47.83 0.99 Allowed Glycine 0 N--CA 1.445 -0.745 0 C-N-CA 121.04 -0.6 . . . . 0.0 111.752 178.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.4 ' HG3' ' HG ' ' A' ' 84' ' ' LEU . 27.4 ptt? -144.34 4.43 1.21 Allowed 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.5 0.185 . . . . 0.0 111.5 178.546 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.4 ' HG ' ' HG3' ' A' ' 83' ' ' MET . 0.2 OUTLIER -161.76 10.04 0.08 Allowed 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 113.522 0.934 . . . . 0.0 113.522 -176.273 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.439 ' HD2' ' OE1' ' A' ' 66' ' ' GLU . 31.6 mtm180 -92.62 111.26 22.8 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.006 -0.677 . . . . 0.0 110.825 -174.61 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.421 ' HE3' ' HB2' ' A' ' 86' ' ' LYS . 27.9 ttmt 57.5 26.81 13.14 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 122.056 0.931 . . . . 0.0 108.738 -172.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 63.06 75.69 0.39 Allowed 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 113.795 -1.548 . . . . 0.0 109.628 -172.39 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.041 0 CA-C-N 114.287 -1.324 . . . . 0.0 110.527 -178.754 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 83.6 t80 . . . . . 0 N--CA 1.477 0.908 0 CA-C-O 120.941 0.401 . . . . 0.0 110.206 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.9 pp -130.27 144.4 51.35 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 174.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.507 ' HB2' ' O ' ' A' ' 51' ' ' SER . 3.5 mm? -66.29 114.67 17.98 Favored Pre-proline 0 N--CA 1.447 -0.602 0 CA-C-O 120.815 0.34 . . . . 0.0 110.517 178.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.857 ' HB2' ' HB ' ' A' ' 7' ' ' THR . 32.0 Cg_exo -57.7 131.04 41.76 Favored 'Trans proline' 0 N--CA 1.461 -0.441 0 C-N-CA 122.714 2.276 . . . . 0.0 111.491 179.732 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -50.24 114.36 1.39 Allowed 'Trans proline' 0 C--N 1.343 0.263 0 C-N-CA 123.171 2.581 . . . . 0.0 113.047 -176.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.1 m 68.34 5.67 4.88 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.506 -0.77 . . . . 0.0 112.213 176.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.857 ' HB ' ' HB2' ' A' ' 4' ' ' PRO . 27.2 m -95.31 87.8 4.94 Favored 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 172.186 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.487 ' O ' ' HG3' ' A' ' 32' ' ' GLN . . . -79.24 86.6 5.0 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.905 -169.591 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.486 ' HA ' ' OE1' ' A' ' 32' ' ' GLN . 38.5 t -142.84 111.51 6.32 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 173.41 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.7 t -112.69 118.18 34.31 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.916 -173.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.5 t -113.53 11.51 18.36 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.091 176.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -163.58 119.59 1.7 Allowed 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.347 179.199 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.468 HD22 ' SG ' ' A' ' 53' ' ' CYS . 88.6 mt -86.47 140.43 29.96 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.486 -179.443 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.406 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 51.9 t80 -70.15 -38.45 75.48 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 175.309 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.406 ' HB2' ' O ' ' A' ' 14' ' ' TYR . 44.5 mtm180 74.25 -51.21 0.69 Allowed 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 115.319 -0.855 . . . . 0.0 112.878 174.002 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -67.99 148.72 98.38 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-O 120.699 0.285 . . . . 0.0 111.228 179.077 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -63.9 125.87 16.21 Favored 'Trans proline' 0 C--O 1.235 0.361 0 C-N-CA 122.684 2.256 . . . . 0.0 111.727 175.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.714 HD13 HD13 ' A' ' 45' ' ' LEU . 56.4 mt -65.26 135.21 55.1 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.071 0.462 . . . . 0.0 110.706 179.527 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.2 m -68.81 150.64 47.61 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.099 -177.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.427 ' HA ' ' HB2' ' A' ' 23' ' ' LEU . 7.9 t70 -56.49 -30.11 62.58 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.256 0.55 . . . . 0.0 110.49 -178.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.451 ' O ' ' HE2' ' A' ' 25' ' ' LYS . 67.4 mmtt -55.1 -46.61 75.54 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.088 -0.96 . . . . 0.0 110.653 178.027 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.94 -38.29 66.86 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 -179.724 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.427 ' HB2' ' HA ' ' A' ' 20' ' ' ASP . 5.4 mp -57.67 -45.82 85.07 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.747 -1.115 . . . . 0.0 112.176 -174.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.1 ptp180 -70.28 -4.97 24.47 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.192 0.52 . . . . 0.0 111.328 -179.318 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.451 ' HE2' ' O ' ' A' ' 21' ' ' LYS . 53.7 mtmt -111.84 2.15 16.92 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.945 -178.459 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.721 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 45.6 t -76.76 150.76 5.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 108.693 -0.855 . . . . 0.0 108.693 174.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 14.0 pt -127.96 -19.68 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 C-N-CA 121.015 -0.274 . . . . 0.0 111.64 179.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.646 ' HB2' ' HB3' ' A' ' 46' ' ' HIS . 58.6 mm-40 -148.36 155.09 40.82 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.043 0.449 . . . . 0.0 112.0 -177.63 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 45.7 t -114.16 118.88 59.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 108.72 -0.845 . . . . 0.0 108.72 172.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.439 ' CD ' ' HB2' ' A' ' 46' ' ' HIS . 3.5 mt-10 -113.2 155.17 25.5 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.95 0.405 . . . . 0.0 110.244 -174.099 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 62.0 tp -128.51 122.08 30.34 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.584 -179.087 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.508 ' O ' ' HA ' ' A' ' 41' ' ' GLN . 7.9 tt0 -76.79 104.02 7.06 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 173.382 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.435 ' C ' ' H ' ' A' ' 35' ' ' ASP . 29.8 mt-10 -69.7 133.32 47.39 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 176.337 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.552 ' HB3' ' HB2' ' A' ' 41' ' ' GLN . . . -72.84 29.96 0.06 Allowed 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 113.064 0.764 . . . . 0.0 113.064 -169.112 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.435 ' H ' ' C ' ' A' ' 33' ' ' GLU . 34.0 t70 -177.82 -29.19 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.052 178.028 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -60.42 -28.58 67.53 Favored Glycine 0 C--N 1.332 0.359 0 CA-C-N 115.595 -0.73 . . . . 0.0 112.87 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -126.95 -65.03 0.98 Allowed 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 176.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 52.5 m -125.38 -173.87 2.92 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.175 177.392 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 73.3 m-70 -78.32 -24.5 46.59 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 -167.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.414 ' O ' ' HA ' ' A' ' 34' ' ' ALA . 1.1 pt? -110.04 172.7 6.71 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.446 -0.501 . . . . 0.0 111.623 -175.07 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.552 ' HB2' ' HB3' ' A' ' 34' ' ' ALA . 7.3 tt0 -114.38 141.75 47.23 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.326 179.02 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.714 ' HA ' ' HG3' ' A' ' 56' ' ' PRO . . . -156.7 150.05 24.31 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.744 178.479 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.473 ' CB ' ' HG ' ' A' ' 61' ' ' LEU . 10.0 m-85 -93.23 118.67 31.52 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 173.461 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 61.3 t -117.83 129.86 73.59 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.138 -172.477 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.714 HD13 HD13 ' A' ' 18' ' ' LEU . 51.2 mt -98.39 127.35 44.29 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.078 0.466 . . . . 0.0 111.072 -178.318 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.646 ' HB3' ' HB2' ' A' ' 28' ' ' GLN . 4.7 t60 -98.27 106.53 18.83 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.868 -177.209 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.721 ' HA ' ' HA ' ' A' ' 26' ' ' VAL . 6.6 mp -92.95 170.6 9.54 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 178.268 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.94 7.23 0.97 Allowed 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 -175.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -121.2 -52.99 2.05 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 175.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.98 178.27 9.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.296 -0.866 . . . . 0.0 110.376 -177.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.507 ' O ' ' HB2' ' A' ' 3' ' ' LEU . 61.5 m -98.11 151.6 20.22 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.036 0.446 . . . . 0.0 111.1 -179.552 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 63.7 mt -124.17 144.96 32.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 176.395 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.468 ' SG ' HD22 ' A' ' 13' ' ' LEU . 40.8 t -101.91 129.69 48.23 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.277 0.56 . . . . 0.0 111.484 -174.519 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -120.93 143.04 34.43 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.646 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.742 -178.194 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 42.8 t-80 -56.9 122.83 55.34 Favored Pre-proline 0 C--O 1.224 -0.278 0 CA-C-N 115.668 -0.697 . . . . 0.0 109.457 173.439 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.714 ' HG3' ' HA ' ' A' ' 42' ' ' ALA . 87.2 Cg_exo -44.02 -52.88 5.13 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 123.072 2.514 . . . . 0.0 113.49 -173.684 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -86.94 75.57 9.54 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.356 0.598 . . . . 0.0 110.242 174.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 47.2 t-20 -128.59 125.51 23.14 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.36 177.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -48.57 -36.02 30.67 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 123.07 2.513 . . . . 0.0 112.749 177.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.534 ' HA ' ' OE1' ' A' ' 63' ' ' GLN . 5.7 m -62.68 -32.71 73.84 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.449 -177.246 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.473 ' HG ' ' CB ' ' A' ' 43' ' ' PHE . 0.5 OUTLIER -77.31 -47.39 20.14 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 -178.867 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.0 m -61.63 -49.86 74.88 Favored 'General case' 0 C--O 1.246 0.92 0 CA-C-O 121.52 0.676 . . . . 0.0 110.678 178.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.534 ' OE1' ' HA ' ' A' ' 60' ' ' SER . 2.9 pt20 -63.59 -27.63 69.38 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.772 179.218 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 17.8 t-105 -64.3 -36.76 85.14 Favored 'General case' 0 C--O 1.219 -0.55 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.619 178.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -56.68 -41.66 77.7 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.49 -0.484 . . . . 0.0 109.96 175.311 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.424 ' O ' ' HB3' ' A' ' 69' ' ' GLU . 6.5 mm-40 -71.51 -47.82 52.87 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-O 121.777 0.798 . . . . 0.0 111.162 177.434 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.416 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 13.7 m170 -71.97 -30.47 65.31 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.312 -173.432 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -68.09 -37.72 81.53 Favored 'General case' 0 CA--C 1.517 -0.303 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 175.152 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.424 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 13.7 tp10 -52.41 -35.52 52.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.092 178.196 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' ' 70' ' ' ARG . 15.1 ptt180 -114.19 32.11 6.13 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 120.571 -0.452 . . . . 0.0 111.881 176.401 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.496 ' HG2' ' H ' ' A' ' 72' ' ' LEU . 25.9 ttmt -142.95 -167.93 2.66 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 174.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.496 ' H ' ' HG2' ' A' ' 71' ' ' LYS . 9.6 mp 52.96 -91.61 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 121.307 0.575 . . . . 0.0 111.242 -172.254 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 27.6 t-80 -160.19 11.21 0.11 Allowed 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 177.067 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 67.75 64.61 3.09 Favored Glycine 0 N--CA 1.446 -0.634 0 N-CA-C 110.286 -1.126 . . . . 0.0 110.286 -167.422 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.3 p -137.84 106.77 5.97 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.572 0.225 . . . . 0.0 110.999 -174.053 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.521 HD11 ' HD2' ' A' ' 77' ' ' PRO . 19.2 tp -147.06 138.14 12.97 Favored Pre-proline 0 N--CA 1.448 -0.536 0 CA-C-O 120.991 0.424 . . . . 0.0 109.984 -178.074 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.521 ' HD2' HD11 ' A' ' 76' ' ' LEU . 84.6 Cg_endo -77.07 162.64 31.6 Favored 'Trans proline' 0 C--N 1.329 -0.447 0 C-N-CA 123.554 2.836 . . . . 0.0 112.251 179.329 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.45 ' HE2' ' HB3' ' A' ' 78' ' ' LYS . 33.9 mtpt -84.93 67.36 10.14 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.212 -176.024 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.476 ' HB2' ' CE2' ' A' ' 81' ' ' PHE . 0.8 OUTLIER -90.82 19.85 5.21 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.094 0.473 . . . . 0.0 110.216 176.388 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 57.61 35.24 25.51 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.987 -1.006 . . . . 0.0 110.385 -175.172 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.476 ' CE2' ' HB2' ' A' ' 79' ' ' LEU . 7.8 m-85 -65.56 -11.32 42.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.303 -176.419 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.451 ' HA2' ' HG3' ' A' ' 85' ' ' ARG . . . -74.93 -2.67 65.93 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.332 177.774 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 24.7 ptt? -64.6 -9.96 23.04 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -177.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.471 ' HA ' ' HB3' ' A' ' 87' ' ' MET . 1.5 pt? -149.5 8.4 0.69 Allowed 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.469 -0.492 . . . . 0.0 112.286 -179.321 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.451 ' HG3' ' HA2' ' A' ' 82' ' ' GLY . 60.7 mtm180 -71.5 118.2 14.02 Favored 'General case' 0 CA--C 1.515 -0.381 0 C-N-CA 120.318 -0.553 . . . . 0.0 110.1 -178.747 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.6 tptm 70.14 2.3 3.9 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.791 0.805 . . . . 0.0 109.874 -177.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.471 ' HB3' ' HA ' ' A' ' 84' ' ' LEU . 46.6 ttm -105.95 -14.29 15.24 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.201 -0.909 . . . . 0.0 109.777 -178.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.956 0 CA-C-O 118.963 -0.91 . . . . 0.0 110.877 178.915 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 93.3 t80 . . . . . 0 N--CA 1.481 1.111 0 CA-C-O 120.577 0.227 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 51.4 tp -60.21 134.18 56.81 Favored 'General case' 0 CA--C 1.518 -0.266 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.579 ' HG ' ' SG ' ' A' ' 10' ' ' CYS . 3.8 mm? -70.21 115.58 35.85 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.986 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.596 ' HB2' ' HB ' ' A' ' 7' ' ' THR . 49.0 Cg_exo -55.01 138.81 79.27 Favored 'Trans proline' 0 N--CA 1.463 -0.308 0 C-N-CA 123.136 2.558 . . . . 0.0 112.152 -177.782 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.498 ' HA ' ' HE1' ' A' ' 46' ' ' HIS . 51.0 Cg_exo -54.02 116.86 3.32 Favored 'Trans proline' 0 C--O 1.234 0.305 0 C-N-CA 122.791 2.328 . . . . 0.0 111.995 179.582 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.415 ' HB2' ' O ' ' A' ' 5' ' ' PRO . 54.6 m 76.36 17.41 1.98 Allowed 'General case' 0 N--CA 1.465 0.291 0 O-C-N 123.974 0.796 . . . . 0.0 111.211 178.634 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.596 ' HB ' ' HB2' ' A' ' 4' ' ' PRO . 11.7 m -128.79 82.36 2.08 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 173.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -93.75 105.0 17.06 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.81 -0.632 . . . . 0.0 112.293 -171.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.405 ' HA ' ' HB2' ' A' ' 38' ' ' CYS . 49.3 t -143.9 74.29 1.42 Allowed 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 170.724 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.579 ' SG ' ' HG ' ' A' ' 3' ' ' LEU . 56.2 m -84.95 118.61 24.65 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.872 -176.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.7 p -81.29 -40.71 23.25 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-O 121.334 0.587 . . . . 0.0 109.938 172.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -90.29 156.85 17.99 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.667 175.044 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.48 HD12 ' HB3' ' A' ' 55' ' ' HIS . 94.8 mt -136.02 151.97 50.43 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.439 179.659 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -76.95 -47.75 20.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.924 -175.008 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 72.3 mtt180 67.71 6.7 5.2 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 112.907 0.706 . . . . 0.0 112.907 175.382 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt -118.23 151.07 48.81 Favored Pre-proline 0 C--N 1.322 -0.617 0 C-N-CA 120.985 -0.286 . . . . 0.0 110.898 -178.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.401 ' HA ' ' HB2' ' A' ' 60' ' ' SER . 22.3 Cg_exo -65.78 125.45 14.3 Favored 'Trans proline' 0 C--O 1.236 0.395 0 C-N-CA 122.998 2.465 . . . . 0.0 111.847 175.562 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.591 HD22 HG21 ' A' ' 52' ' ' ILE . 60.1 mt -77.54 141.47 39.56 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.279 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.556 ' HB2' ' HG ' ' A' ' 22' ' ' LEU . 5.1 m -70.31 146.18 50.73 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.607 -178.293 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -56.91 -32.92 66.42 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.422 0.629 . . . . 0.0 110.956 -177.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -67.09 -38.56 85.91 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.923 -1.035 . . . . 0.0 111.381 -177.059 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.556 ' HG ' ' HB2' ' A' ' 19' ' ' SER . 0.7 OUTLIER -74.27 -37.07 63.81 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 175.31 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.515 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 21.4 mt -64.57 -40.53 95.72 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.139 -1.391 . . . . 0.0 112.386 -174.481 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -66.26 0.1 2.26 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 177.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -118.11 14.18 13.97 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.123 0.487 . . . . 0.0 110.874 -179.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.476 ' O ' ' HG ' ' A' ' 72' ' ' LEU . 20.7 t -77.56 136.34 24.49 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.775 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.97 176.135 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.437 HD11 ' HA ' ' A' ' 48' ' ' ALA . 29.4 pt -111.86 -25.11 3.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.419 -177.282 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.597 ' HB2' ' HB3' ' A' ' 46' ' ' HIS . 77.5 mm-40 -146.58 149.19 33.09 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.932 0.396 . . . . 0.0 111.244 -175.672 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.481 HG12 HE22 ' A' ' 68' ' ' GLN . 4.0 p -124.25 116.43 47.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 172.025 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -118.98 145.05 46.14 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.294 0.569 . . . . 0.0 111.844 -169.563 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 50.3 tp -101.41 114.46 28.48 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.435 177.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.413 ' O ' ' HA ' ' A' ' 41' ' ' GLN . 38.5 tt0 -82.88 105.41 13.87 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.37 173.518 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -71.18 147.94 47.81 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.957 0.408 . . . . 0.0 111.16 -179.497 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.469 ' HB1' ' HB2' ' A' ' 41' ' ' GLN . . . -76.58 0.05 21.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.493 178.443 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -153.25 112.02 3.72 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.397 -0.82 . . . . 0.0 108.845 177.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 122.79 -78.34 0.35 Allowed Glycine 0 N--CA 1.446 -0.675 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.345 -175.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -66.88 -41.04 87.91 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-O 121.219 0.533 . . . . 0.0 110.219 177.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.405 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 5.9 t -156.37 -169.66 3.1 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.751 -175.094 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -98.88 -21.07 16.49 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.041 0.448 . . . . 0.0 110.688 177.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -119.17 161.33 20.53 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 177.041 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.469 ' HB2' ' HB1' ' A' ' 34' ' ' ALA . 35.0 tt0 -101.32 138.61 38.11 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.841 -175.637 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.549 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -153.83 143.14 21.48 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 178.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -93.64 106.45 18.42 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 170.198 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 73.8 t -104.74 135.8 41.11 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.95 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.728 -171.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.568 HD13 HD11 ' A' ' 18' ' ' LEU . 81.6 mt -103.31 130.77 50.66 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.165 -176.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.597 ' HB3' ' HB2' ' A' ' 28' ' ' GLN . 3.5 t60 -112.1 116.81 31.11 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.171 -169.488 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.5 mp -99.35 169.86 9.05 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 173.403 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.437 ' HA ' HD11 ' A' ' 27' ' ' ILE . . . -57.25 -24.18 53.06 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.748 0.648 . . . . 0.0 112.748 -175.558 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.71 -0.89 2.55 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.684 -177.039 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 20.7 mtp180 -139.11 148.13 42.85 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.136 -171.069 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 12.9 m -126.94 123.5 37.31 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 175.495 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.591 HG21 HD22 ' A' ' 18' ' ' LEU . 68.3 mt -114.09 127.07 71.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-O 120.792 0.33 . . . . 0.0 110.305 -176.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 19.5 m -101.46 124.46 47.16 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.073 0.464 . . . . 0.0 110.867 -170.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 56.8 mt -131.94 134.1 60.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.99 -175.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.48 ' HB3' HD12 ' A' ' 13' ' ' LEU . 1.2 p80 -67.49 138.06 93.69 Favored Pre-proline 0 N--CA 1.462 0.14 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 172.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.549 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 63.1 Cg_exo -51.28 -34.24 48.59 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 123.228 2.619 . . . . 0.0 113.077 -174.709 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 19.7 mp0 -84.35 57.01 4.03 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.483 -178.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -136.87 129.16 17.13 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.492 -177.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -51.43 -37.99 62.67 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 123.263 2.642 . . . . 0.0 113.334 -177.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.401 ' HB2' ' HA ' ' A' ' 17' ' ' PRO . 5.2 t -58.3 -37.31 74.79 Favored 'General case' 0 C--O 1.222 -0.368 0 CA-C-N 116.667 -0.242 . . . . 0.0 111.121 -178.524 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.65 -45.97 27.68 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 -174.229 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 24.6 t -62.82 -48.52 78.72 Favored 'General case' 0 C--O 1.243 0.735 0 CA-C-O 121.239 0.542 . . . . 0.0 110.51 178.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -61.41 -31.61 71.54 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.604 176.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.679 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 12.4 t-105 -70.77 -36.41 73.05 Favored 'General case' 0 C--O 1.216 -0.664 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.468 -179.812 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.2 m-30 -52.23 -43.42 64.28 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.08 0.466 . . . . 0.0 110.259 176.259 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -64.6 -56.32 14.71 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-O 121.549 0.69 . . . . 0.0 111.065 174.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.504 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 32.8 m170 -69.91 -32.12 70.27 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.451 -0.795 . . . . 0.0 112.696 -169.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.679 ' HG2' ' O ' ' A' ' 64' ' ' TRP . 11.5 pt20 -73.36 -35.39 65.95 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 117.898 0.317 . . . . 0.0 110.376 178.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -58.15 -32.86 68.58 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.383 0.611 . . . . 0.0 110.114 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -114.82 35.38 4.31 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.848 179.001 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.551 ' O ' HD22 ' A' ' 72' ' ' LEU . 20.8 ttmt -147.26 -164.92 2.11 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 119.158 -0.449 . . . . 0.0 109.835 176.237 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.657 ' N ' HD13 ' A' ' 72' ' ' LEU . 0.0 OUTLIER 22.03 60.51 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 114.972 1.471 . . . . 0.0 114.972 -172.274 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 44.8 m80 70.71 -12.91 0.51 Allowed 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 173.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 79.46 21.78 66.2 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.717 -0.754 . . . . 0.0 111.467 -173.34 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 27.6 p -97.58 100.95 12.37 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.789 -0.206 . . . . 0.0 110.723 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.417 HD12 ' HB2' ' A' ' 68' ' ' GLN . 48.0 mt -153.28 157.7 32.86 Favored Pre-proline 0 N--CA 1.444 -0.752 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 -177.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.536 ' HB2' HD13 ' A' ' 79' ' ' LEU . 68.8 Cg_exo -48.09 132.16 22.57 Favored 'Trans proline' 0 C--N 1.327 -0.584 0 C-N-CA 123.108 2.538 . . . . 0.0 112.405 168.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.1 tmtm? -91.99 66.75 5.06 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.196 0.522 . . . . 0.0 109.789 178.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.536 HD13 ' HB2' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -103.09 10.38 38.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.908 -177.611 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 29.7 m-80 67.4 100.01 0.05 Allowed 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 115.167 -0.924 . . . . 0.0 111.326 -179.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -78.17 -14.16 59.57 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.13 0.49 . . . . 0.0 110.471 -177.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -71.38 -5.33 59.36 Favored Glycine 0 N--CA 1.452 -0.268 0 CA-C-N 116.03 -0.532 . . . . 0.0 113.012 -179.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 22.2 ptt? -78.83 -5.06 52.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.94 0.4 . . . . 0.0 110.66 178.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.5 tt -128.07 -37.45 1.89 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.015 179.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.496 ' C ' ' H ' ' A' ' 87' ' ' MET . 83.0 mtm180 -61.85 155.25 23.72 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.827 177.27 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 17.3 mmmt 73.27 -23.17 0.22 Allowed 'General case' 0 N--CA 1.47 0.552 0 O-C-N 123.792 0.682 . . . . 0.0 111.364 -179.354 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.496 ' H ' ' C ' ' A' ' 85' ' ' ARG . 65.5 mtt -87.06 -36.7 18.01 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.125 178.392 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.795 0 CA-C-O 119.122 -0.821 . . . . 0.0 111.343 178.881 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 86.2 t80 . . . . . 0 N--CA 1.478 0.943 0 CA-C-O 120.978 0.418 . . . . 0.0 110.432 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.425 ' O ' ' HD3' ' A' ' 4' ' ' PRO . 3.4 pp -92.03 143.82 26.08 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 175.545 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.422 ' HA ' ' HD3' ' A' ' 4' ' ' PRO . 4.1 mm? -77.91 113.34 31.98 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-O 121.097 0.475 . . . . 0.0 111.296 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.601 ' HB2' ' HB ' ' A' ' 7' ' ' THR . 11.8 Cg_exo -71.17 149.54 58.12 Favored 'Trans proline' 0 N--CA 1.461 -0.435 0 C-N-CA 123.343 2.695 . . . . 0.0 111.796 178.263 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -59.98 122.52 11.54 Favored 'Trans proline' 0 C--O 1.235 0.327 0 C-N-CA 122.54 2.16 . . . . 0.0 111.908 178.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.1 m 66.69 15.89 10.24 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.175 178.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.601 ' HB ' ' HB2' ' A' ' 4' ' ' PRO . 3.1 m -128.42 41.32 3.51 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 175.773 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -92.2 103.45 15.92 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 114.631 -1.168 . . . . 0.0 111.693 -173.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.499 ' HB2' ' OD1' ' A' ' 37' ' ' ASP . 38.3 t -123.49 77.76 1.53 Allowed 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 167.305 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 64.7 m -72.68 118.74 15.98 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.844 -1.071 . . . . 0.0 111.294 -172.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.0 p -87.31 -0.39 56.68 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.585 175.035 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -138.14 162.17 34.91 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.316 -0.857 . . . . 0.0 109.801 175.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.499 HD13 ' HB2' ' A' ' 55' ' ' HIS . 43.2 mt -138.52 135.32 34.95 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.686 0.279 . . . . 0.0 110.431 -177.668 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -66.21 -43.44 86.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.527 -176.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 81.5 mtm180 73.9 -44.21 0.56 Allowed 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 115.531 -0.759 . . . . 0.0 112.352 174.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.414 ' HA ' ' HD3' ' A' ' 16' ' ' LYS . 35.2 mmtm -71.85 148.48 92.25 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-O 120.699 0.285 . . . . 0.0 111.157 179.679 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -63.61 143.57 87.63 Favored 'Trans proline' 0 C--O 1.236 0.406 0 C-N-CA 122.623 2.216 . . . . 0.0 111.845 177.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.672 ' HB3' HD11 ' A' ' 22' ' ' LEU . 48.0 mt -89.15 148.86 23.43 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.352 -177.81 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.592 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 13.8 m -68.69 133.37 48.33 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.635 179.333 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.517 ' OD1' ' HE3' ' A' ' 71' ' ' LYS . 23.3 t70 -60.41 -28.75 68.5 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.109 0.48 . . . . 0.0 110.973 -176.679 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.621 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 58.3 mttp -66.4 -45.18 80.84 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.184 178.112 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.672 HD11 ' HB3' ' A' ' 18' ' ' LEU . 4.5 pp -73.32 -27.39 61.5 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.023 176.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.605 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 50.2 mt -62.51 -46.55 87.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.028 177.759 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.621 ' HG2' ' O ' ' A' ' 21' ' ' LYS . 13.3 ptm180 -62.55 -12.72 24.34 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 120.977 0.418 . . . . 0.0 111.02 -179.478 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -101.15 9.84 41.53 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.872 179.044 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.676 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 9.5 t -79.99 132.41 31.94 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.862 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 172.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.602 HD13 ' HA ' ' A' ' 48' ' ' ALA . 10.7 pt -97.42 -36.6 6.17 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.36 -176.267 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.425 ' OE1' ' HA ' ' A' ' 77' ' ' PRO . 75.0 mm-40 -146.28 157.6 43.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.119 0.485 . . . . 0.0 111.328 -178.041 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.483 HG23 HE22 ' A' ' 68' ' ' GLN . 65.7 t -116.09 134.36 59.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 175.569 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.401 ' HG3' ' HB ' ' A' ' 44' ' ' VAL . 9.6 pt-20 -125.78 137.45 53.79 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.384 0.611 . . . . 0.0 111.247 -176.689 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 47.5 tp -97.18 115.27 27.26 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.326 179.112 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.407 ' O ' ' HA ' ' A' ' 41' ' ' GLN . 41.8 tt0 -70.98 104.36 2.95 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 174.234 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -69.91 130.04 41.16 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.651 -176.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.652 ' HB1' ' HB2' ' A' ' 41' ' ' GLN . . . -79.61 23.6 0.41 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.608 -178.092 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -155.94 -59.43 0.1 Allowed 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.992 -0.283 . . . . 0.0 111.604 -178.025 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -61.27 -39.63 97.47 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 121.11 -0.567 . . . . 0.0 113.271 -176.039 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.499 ' OD1' ' HB2' ' A' ' 9' ' ' CYS . 9.9 t0 -110.32 -61.88 1.6 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.38 0.61 . . . . 0.0 110.39 -178.815 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.4 t -112.18 178.03 4.44 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.452 -171.144 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -87.91 -30.76 19.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.137 0.494 . . . . 0.0 110.628 174.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.4 ' HG ' ' NE2' ' A' ' 32' ' ' GLN . 0.7 OUTLIER -111.96 157.37 20.78 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.369 -179.567 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.652 ' HB2' ' HB1' ' A' ' 34' ' ' ALA . 35.8 tt0 -99.0 143.42 29.3 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.541 179.536 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.459 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -150.08 148.6 29.19 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.043 177.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.538 ' O ' ' HB ' ' A' ' 54' ' ' ILE . 34.8 m-85 -99.08 106.8 19.06 Favored 'General case' 0 C--N 1.312 -1.042 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 174.672 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.401 ' HB ' ' HG3' ' A' ' 30' ' ' GLU . 60.2 t -106.3 131.04 57.0 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.946 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.81 -171.385 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.663 HD12 HD12 ' A' ' 18' ' ' LEU . 63.4 mt -104.08 130.04 51.77 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.176 -177.399 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -114.32 107.99 16.31 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.234 -171.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.676 ' HA ' ' HA ' ' A' ' 26' ' ' VAL . 6.3 mp -79.15 168.58 19.41 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 174.127 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.602 ' HA ' HD13 ' A' ' 27' ' ' ILE . . . -55.57 -23.02 24.63 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.095 0.474 . . . . 0.0 111.977 179.206 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -138.34 3.84 2.39 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.904 -173.033 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.494 ' HB2' ' HB2' ' A' ' 47' ' ' LEU . 82.5 mtp180 -141.07 157.46 45.28 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.895 0.379 . . . . 0.0 111.718 -172.183 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 12.9 m -134.71 124.2 24.88 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.345 175.509 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.561 HG21 HD23 ' A' ' 18' ' ' LEU . 66.3 mt -125.91 132.69 70.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 110.371 -0.233 . . . . 0.0 110.371 -177.486 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 38.3 m -101.65 121.52 42.17 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.295 0.569 . . . . 0.0 110.622 -174.131 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.538 ' HB ' ' O ' ' A' ' 43' ' ' PHE . 22.8 mt -117.97 133.87 63.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.161 -176.465 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.499 ' HB2' HD13 ' A' ' 13' ' ' LEU . 53.3 t-80 -71.34 135.07 84.46 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.916 174.743 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 59.7 Cg_exo -52.86 159.78 4.73 Favored 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 122.823 2.348 . . . . 0.0 112.071 175.828 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 20.4 mp0 64.86 28.04 12.81 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.418 0.627 . . . . 0.0 111.205 -176.256 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 43.1 t-20 -103.0 124.45 38.47 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.205 174.288 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -48.65 -38.81 37.3 Favored 'Trans proline' 0 N--CA 1.463 -0.293 0 C-N-CA 123.184 2.589 . . . . 0.0 112.995 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 20.1 t -63.41 -29.87 71.09 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.503 0.192 . . . . 0.0 111.18 -176.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.511 ' HG ' ' CB ' ' A' ' 43' ' ' PHE . 1.1 tm? -80.15 -48.65 12.85 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 -179.279 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 21.6 m -63.17 -48.62 77.61 Favored 'General case' 0 C--O 1.241 0.638 0 CA-C-O 121.366 0.603 . . . . 0.0 110.764 179.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -60.39 -28.05 67.92 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.381 176.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.614 ' CZ2' HD23 ' A' ' 72' ' ' LEU . 16.9 t-105 -66.71 -33.95 76.76 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.885 -0.326 . . . . 0.0 111.151 178.505 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -59.77 -39.88 86.35 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.455 -0.498 . . . . 0.0 110.047 175.242 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -74.89 -43.43 54.38 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-O 121.488 0.661 . . . . 0.0 110.623 177.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.457 ' O ' ' HG2' ' A' ' 70' ' ' ARG . 9.0 m170 -65.43 -41.71 93.24 Favored 'General case' 0 C--O 1.223 -0.314 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.532 -178.426 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.483 HE22 HG23 ' A' ' 29' ' ' VAL . 2.6 pt20 -65.26 -34.72 79.03 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 -179.455 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -56.32 -31.32 63.58 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.745 178.453 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.457 ' HG2' ' O ' ' A' ' 67' ' ' HIS . 5.9 ptp180 -103.65 11.9 35.49 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.732 -179.314 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.517 ' HE3' ' OD1' ' A' ' 20' ' ' ASP . 52.7 mttm -137.79 -144.75 0.19 Allowed 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.702 0.287 . . . . 0.0 110.55 179.25 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.614 HD23 ' CZ2' ' A' ' 64' ' ' TRP . 0.2 OUTLIER 62.62 22.83 13.56 Favored 'General case' 0 C--N 1.341 0.229 0 CA-C-N 115.736 -0.666 . . . . 0.0 112.699 174.134 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 78.8 t60 65.54 11.7 7.64 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 121.365 0.602 . . . . 0.0 110.553 174.383 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 91.5 -7.1 80.35 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.096 -177.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 12.3 p -104.79 105.38 15.43 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.7 0.286 . . . . 0.0 110.582 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.418 ' N ' HD21 ' A' ' 76' ' ' LEU . 2.9 mm? -98.66 157.09 34.86 Favored Pre-proline 0 N--CA 1.435 -1.205 0 CA-C-O 121.158 0.504 . . . . 0.0 110.536 -175.696 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.47 ' HD3' HD12 ' A' ' 72' ' ' LEU . 14.4 Cg_exo -43.59 156.85 0.14 Allowed 'Trans proline' 0 C--N 1.325 -0.69 0 C-N-CA 123.963 3.108 . . . . 0.0 112.981 164.37 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -132.77 88.75 2.55 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 173.18 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.2 pp -137.24 22.1 2.99 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.022 -179.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 62.15 45.37 7.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.968 -1.015 . . . . 0.0 111.24 175.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 13.0 p90 -75.6 18.43 0.24 Allowed 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 -173.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -72.02 -14.36 76.15 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.583 -179.032 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.72 -16.47 41.59 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.984 0.421 . . . . 0.0 111.067 -176.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.545 ' O ' HD21 ' A' ' 84' ' ' LEU . 5.1 tt -102.03 -29.39 11.8 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.506 -176.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.53 ' O ' ' HB3' ' A' ' 86' ' ' LYS . 6.6 mtm180 -59.89 151.69 25.23 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 178.581 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.53 ' HB3' ' O ' ' A' ' 85' ' ' ARG . 24.5 ttmm 82.76 -26.4 0.13 Allowed 'General case' 0 N--CA 1.47 0.541 0 O-C-N 124.288 0.993 . . . . 0.0 109.124 -165.819 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.456 ' H ' ' C ' ' A' ' 85' ' ' ARG . 22.3 mmt 74.27 16.59 3.39 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 114.966 -1.015 . . . . 0.0 111.201 174.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.499 -1.167 . . . . 0.0 112.115 177.44 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 90.5 t80 . . . . . 0 N--CA 1.477 0.9 0 CA-C-O 121.019 0.437 . . . . 0.0 110.277 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.9 pp -84.99 145.03 27.92 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 174.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -76.7 114.3 37.61 Favored Pre-proline 0 C--N 1.32 -0.686 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 178.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_exo -62.29 133.32 42.86 Favored 'Trans proline' 0 C--O 1.234 0.302 0 C-N-CA 122.703 2.269 . . . . 0.0 111.83 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_endo -56.63 134.83 66.88 Favored 'Trans proline' 0 N--CA 1.462 -0.339 0 C-N-CA 122.793 2.328 . . . . 0.0 111.98 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.9 t 73.09 2.92 4.53 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.379 178.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 28.2 m -103.1 96.52 6.85 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.065 0.459 . . . . 0.0 110.028 178.115 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -82.69 87.1 6.75 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.65 -179.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 49.4 t -153.08 87.86 1.29 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.777 177.474 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 97.8 m -86.08 118.79 25.77 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.016 -178.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.1 p -91.45 4.72 51.81 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.948 177.429 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -150.66 165.67 32.69 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.541 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.433 HD13 ' HB2' ' A' ' 55' ' ' HIS . 56.9 mt -129.03 149.26 50.92 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.418 -177.789 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.404 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 24.0 t80 -82.21 -39.56 22.94 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.1 178.734 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.404 ' HB2' ' O ' ' A' ' 14' ' ' TYR . 41.6 mtp180 73.55 -46.24 0.63 Allowed 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 112.817 0.673 . . . . 0.0 112.817 175.341 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.414 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 45.2 mtmt -74.21 151.41 87.97 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-O 120.632 0.253 . . . . 0.0 111.486 -177.332 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 16' ' ' LYS . 7.4 Cg_exo -73.15 128.77 13.32 Favored 'Trans proline' 0 N--CA 1.462 -0.382 0 C-N-CA 122.885 2.39 . . . . 0.0 111.791 176.47 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.553 ' HB3' HD11 ' A' ' 22' ' ' LEU . 83.5 mt -74.32 159.82 31.9 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.663 -179.784 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.671 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 20.8 m -85.99 141.66 29.34 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.907 -179.701 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.461 ' OD1' ' HE3' ' A' ' 71' ' ' LYS . 16.6 t70 -60.76 -28.63 68.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.967 -173.595 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 49.7 mmtm -60.81 -42.89 98.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.928 178.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.671 ' HG ' ' O ' ' A' ' 19' ' ' SER . 3.8 pp -76.04 -25.7 55.9 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.842 176.686 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.449 ' HG ' ' CE3' ' A' ' 64' ' ' TRP . 5.7 mp -59.66 -42.97 94.04 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.539 178.596 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.3 ptp180 -68.09 3.96 1.41 Allowed 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 176.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.529 ' HD3' ' HA ' ' A' ' 22' ' ' LEU . 29.1 mtpp -106.88 -21.7 12.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.412 178.292 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.416 HG23 ' HG ' ' A' ' 47' ' ' LEU . 38.6 t -61.62 145.51 12.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.721 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 36.6 pt -109.39 -29.46 2.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 C-N-CA 120.755 -0.378 . . . . 0.0 111.625 -177.438 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 70.2 mm-40 -148.53 151.05 34.45 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.143 0.496 . . . . 0.0 112.063 -174.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.6 p -111.46 124.25 68.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.253 -0.885 . . . . 0.0 108.705 171.38 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -122.67 149.95 43.35 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.826 0.346 . . . . 0.0 111.466 -168.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.547 HD12 ' CZ ' ' A' ' 43' ' ' PHE . 30.7 tp -120.87 114.48 21.64 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.174 0.512 . . . . 0.0 111.227 -177.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.443 ' O ' ' HA ' ' A' ' 41' ' ' GLN . 47.3 tt0 -89.28 107.94 19.34 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.475 -0.784 . . . . 0.0 108.981 172.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.401 ' C ' ' H ' ' A' ' 35' ' ' ASP . 45.1 mt-10 -75.0 150.18 39.06 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 -178.622 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.644 ' HB1' ' HB2' ' A' ' 41' ' ' GLN . . . -75.67 23.75 0.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 -167.599 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.401 ' H ' ' C ' ' A' ' 33' ' ' GLU . 6.1 p-10 -175.96 -20.08 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.418 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -58.61 -48.73 83.01 Favored Glycine 0 C--N 1.333 0.385 0 C-N-CA 121.063 -0.589 . . . . 0.0 112.346 178.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -108.01 -58.95 1.91 Allowed 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 175.429 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 71.6 m -137.08 156.42 48.41 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.395 -0.821 . . . . 0.0 109.52 179.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -72.92 70.35 1.01 Allowed 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 121.205 0.526 . . . . 0.0 111.688 -179.477 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.3 tt -173.61 124.67 0.38 Allowed 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 179.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.644 ' HB2' ' HB1' ' A' ' 34' ' ' ALA . 25.6 tt0 -90.54 116.66 28.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.072 0.463 . . . . 0.0 110.162 179.574 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -136.36 161.78 34.85 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.998 -177.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.547 ' CZ ' HD12 ' A' ' 31' ' ' LEU . 41.8 m-85 -120.0 124.24 45.44 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 171.421 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 38.8 t -100.89 121.81 52.16 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.072 0 CA-C-O 121.008 0.432 . . . . 0.0 110.093 -176.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.622 HD21 HD13 ' A' ' 61' ' ' LEU . 13.9 mt -91.87 103.25 15.82 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 108.342 -0.985 . . . . 0.0 108.342 177.553 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 4.5 t-160 -96.18 106.26 18.43 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.191 -0.913 . . . . 0.0 111.729 -165.431 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.416 ' HG ' HG23 ' A' ' 26' ' ' VAL . 5.3 mp -93.97 160.45 14.72 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 171.233 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.57 -11.66 60.26 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.825 0.345 . . . . 0.0 111.788 -171.293 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.49 3.76 8.35 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.72 -177.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.9 ptm180 -175.26 147.27 0.88 Allowed 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 31.2 m -118.34 129.28 55.35 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.817 0.341 . . . . 0.0 110.131 178.268 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 73.0 mt -111.79 137.64 43.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.189 -177.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 61.1 m -102.43 121.72 42.89 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.97 0.414 . . . . 0.0 110.675 -175.069 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.453 HD13 ' HB2' ' A' ' 60' ' ' SER . 3.7 tt -123.33 148.41 27.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.907 -175.787 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.572 ' HB3' HE22 ' A' ' 57' ' ' GLN . 32.7 t-80 -92.79 135.93 25.56 Favored Pre-proline 0 C--N 1.322 -0.616 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 -177.819 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.436 ' HD2' ' CD2' ' A' ' 55' ' ' HIS . 67.2 Cg_exo -40.35 -38.11 2.22 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 124.027 3.151 . . . . 0.0 115.211 -177.009 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.572 HE22 ' HB3' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -71.42 -6.2 38.52 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 121.038 0.447 . . . . 0.0 112.14 -175.795 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.427 ' HB2' ' O ' ' A' ' 55' ' ' HIS . 2.4 m120 -66.35 118.04 49.54 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.744 -177.018 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.432 ' O ' ' HG3' ' A' ' 63' ' ' GLN . 17.8 Cg_endo -61.21 -22.74 75.54 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.387 2.058 . . . . 0.0 110.468 173.441 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.453 ' HB2' HD13 ' A' ' 54' ' ' ILE . 0.8 OUTLIER -58.43 -38.45 77.47 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.273 176.06 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.622 HD13 HD21 ' A' ' 45' ' ' LEU . 41.4 tp -78.56 -35.57 45.79 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.147 -178.085 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.3 m -57.74 -46.42 84.48 Favored 'General case' 0 C--O 1.238 0.456 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 172.082 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.432 ' HG3' ' O ' ' A' ' 59' ' ' PRO . 27.6 mt-30 -60.65 -44.32 96.54 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.311 -0.859 . . . . 0.0 109.842 173.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.531 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 10.5 t-105 -58.51 -48.46 80.75 Favored 'General case' 0 C--O 1.216 -0.698 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.364 -178.091 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.73 ' HD2' ' HB3' ' A' ' 81' ' ' PHE . 9.4 m-85 -53.55 -39.45 64.74 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 117.953 0.342 . . . . 0.0 111.575 179.507 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -76.36 -42.26 45.31 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-O 121.339 0.59 . . . . 0.0 110.643 177.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 13.0 m170 -66.93 -43.1 84.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.206 -178.279 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.531 ' HG2' ' O ' ' A' ' 64' ' ' TRP . 12.8 pt20 -64.51 -29.71 70.74 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-O 120.836 0.35 . . . . 0.0 110.286 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -63.99 -29.11 70.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.398 178.325 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.3 ptt180 -107.96 10.26 28.42 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 120.693 -0.403 . . . . 0.0 111.147 178.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.461 ' HE3' ' OD1' ' A' ' 20' ' ' ASP . 63.2 mttm -125.68 -164.16 1.28 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.278 175.589 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.1 mp 53.09 -93.32 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.254 0 O-C-N 123.762 0.664 . . . . 0.0 111.662 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 10.9 t-80 -158.47 -3.96 0.08 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.934 179.145 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 84.02 -15.66 37.04 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 121.059 -0.591 . . . . 0.0 112.021 -175.401 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 16.9 p -88.52 108.82 19.61 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.906 0.384 . . . . 0.0 111.062 -178.216 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 58.4 mt -148.81 159.34 38.09 Favored Pre-proline 0 N--CA 1.445 -0.722 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 -178.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -40.74 113.19 0.21 Allowed 'Trans proline' 0 C--O 1.234 0.304 0 C-N-CA 123.288 2.659 . . . . 0.0 112.954 171.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -80.74 84.01 6.37 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.403 0.621 . . . . 0.0 110.736 -179.374 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -108.17 16.42 23.3 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.723 176.543 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 65.3 m-20 68.5 89.85 0.1 Allowed 'General case' 0 CA--C 1.511 -0.532 0 CA-C-N 114.596 -1.183 . . . . 0.0 109.84 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.73 ' HB3' ' HD2' ' A' ' 65' ' ' PHE . 32.8 m-85 -65.84 -19.32 65.84 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 114.373 -1.285 . . . . 0.0 111.349 -171.311 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.426 ' HA2' ' HG2' ' A' ' 85' ' ' ARG . . . -71.74 7.8 6.67 Favored Glycine 0 N--CA 1.449 -0.464 0 CA-C-N 115.891 -0.595 . . . . 0.0 112.882 178.556 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 26.4 ptt? -74.7 -11.87 60.28 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.87 0.367 . . . . 0.0 110.624 176.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.644 HD13 ' N ' ' A' ' 85' ' ' ARG . 1.0 OUTLIER -152.67 -19.71 0.16 Allowed 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 113.15 0.796 . . . . 0.0 113.15 177.835 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.644 ' N ' HD13 ' A' ' 84' ' ' LEU . 13.0 ptm180 -76.55 132.91 39.79 Favored 'General case' 0 CA--C 1.521 -0.166 0 C-N-CA 119.591 -0.844 . . . . 0.0 109.992 179.223 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt 73.14 -29.51 0.2 Allowed 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.554 0.742 . . . . 0.0 110.902 -177.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.5 ' H ' ' C ' ' A' ' 85' ' ' ARG . 46.9 ttm -72.53 -45.29 60.03 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.633 173.332 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.924 0 CA-C-O 118.699 -1.056 . . . . 0.0 111.044 177.673 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 88.1 t80 . . . . . 0 N--CA 1.476 0.853 0 CA-C-O 121.134 0.492 . . . . 0.0 109.94 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.4 pp -117.66 144.85 44.83 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.105 175.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.422 ' HG ' ' SG ' ' A' ' 10' ' ' CYS . 4.0 mm? -74.63 114.2 31.81 Favored Pre-proline 0 C--N 1.321 -0.648 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 176.686 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.936 ' HB2' ' HB ' ' A' ' 7' ' ' THR . 51.1 Cg_exo -54.0 142.99 63.46 Favored 'Trans proline' 0 C--O 1.233 0.247 0 C-N-CA 122.901 2.4 . . . . 0.0 112.297 -177.446 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -54.03 122.89 12.22 Favored 'Trans proline' 0 C--O 1.237 0.436 0 C-N-CA 122.892 2.395 . . . . 0.0 111.973 179.272 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.9 m 59.06 29.14 18.62 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.777 -178.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.936 ' HB ' ' HB2' ' A' ' 4' ' ' PRO . 2.6 m -143.84 32.02 1.28 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 122.075 0.94 . . . . 0.0 108.716 178.612 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -84.78 87.42 7.31 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.844 -1.071 . . . . 0.0 111.401 -174.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.798 ' HA ' ' OE1' ' A' ' 32' ' ' GLN . 38.2 t -104.33 87.47 2.74 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 174.578 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.422 ' SG ' ' HG ' ' A' ' 3' ' ' LEU . 84.5 m -87.77 117.03 26.32 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.284 -0.871 . . . . 0.0 111.219 -174.083 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.3 p -86.11 -39.47 16.7 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.405 0.621 . . . . 0.0 109.725 172.025 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -88.26 163.55 16.05 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.016 -0.993 . . . . 0.0 110.751 175.161 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.425 HD12 ' HB3' ' A' ' 55' ' ' HIS . 61.1 mt -141.25 140.5 33.92 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.189 -177.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.597 ' CE2' ' HB2' ' A' ' 16' ' ' LYS . 77.2 t80 -83.55 -41.14 18.26 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 178.135 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 17.5 ptm180 48.19 27.3 1.25 Allowed 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.507 1.123 . . . . 0.0 113.997 172.032 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.597 ' HB2' ' CE2' ' A' ' 14' ' ' TYR . 68.3 mttm -123.18 147.89 53.19 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 122.153 -0.342 . . . . 0.0 110.34 178.788 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.404 ' HA ' ' HB2' ' A' ' 60' ' ' SER . 51.0 Cg_exo -55.7 124.45 16.31 Favored 'Trans proline' 0 C--O 1.238 0.481 0 C-N-CA 123.222 2.614 . . . . 0.0 113.365 -178.775 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.764 ' HB3' HD13 ' A' ' 22' ' ' LEU . 87.2 mt -93.52 148.21 22.28 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.338 178.166 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.599 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 11.3 m -89.25 151.25 22.24 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.728 -178.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.471 ' HA ' ' HB2' ' A' ' 23' ' ' LEU . 18.5 m-20 -59.33 -29.29 67.54 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.603 -0.272 . . . . 0.0 111.422 178.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -55.48 -48.88 73.88 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.376 178.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.764 HD13 ' HB3' ' A' ' 18' ' ' LEU . 3.9 pp -77.09 -33.8 56.99 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.932 175.735 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.471 ' HB2' ' HA ' ' A' ' 20' ' ' ASP . 2.2 tp -63.58 -35.83 81.79 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.551 -0.75 . . . . 0.0 112.26 -171.598 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -66.02 -12.18 53.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.934 0.397 . . . . 0.0 111.562 179.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.493 ' HE2' ' HA ' ' A' ' 22' ' ' LEU . 53.7 mtmt -96.92 5.94 49.57 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.16 -177.35 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.462 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 12.3 t -74.25 130.19 36.11 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.865 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.797 175.234 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.519 HD13 ' HA ' ' A' ' 48' ' ' ALA . 16.0 pt -105.32 -27.23 3.15 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.931 -178.423 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.43 ' HG2' HG13 ' A' ' 27' ' ' ILE . 14.3 mm100 -137.82 134.26 34.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.511 -179.054 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 52.3 t -107.99 115.78 49.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 170.183 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -125.32 147.96 48.92 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.396 0.617 . . . . 0.0 111.779 -173.148 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 44.7 tp -111.09 108.83 18.66 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.498 -0.773 . . . . 0.0 109.928 176.143 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.798 ' OE1' ' HA ' ' A' ' 9' ' ' CYS . 8.8 tt0 -72.45 128.5 35.79 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 173.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -99.42 158.11 15.95 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 120.668 0.27 . . . . 0.0 110.692 -175.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.16 -11.77 58.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.113 -0.494 . . . . 0.0 112.026 -174.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -143.02 -6.99 0.83 Allowed 'General case' 0 C--N 1.317 -0.847 0 CA-C-O 121.284 0.564 . . . . 0.0 110.09 177.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -87.19 109.35 3.44 Favored Glycine 0 N--CA 1.448 -0.506 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.985 -178.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.6 t70 73.32 -53.45 0.7 Allowed 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 123.769 0.828 . . . . 0.0 110.323 -178.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 31.7 t -117.12 -165.83 1.11 Allowed 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.154 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 36.5 p-80 -124.51 28.47 6.6 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.546 0.573 . . . . 0.0 112.546 -174.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.5 pp -159.38 155.43 26.69 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 110.409 -0.219 . . . . 0.0 110.409 176.381 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.589 ' HA ' ' O ' ' A' ' 32' ' ' GLN . 62.2 tt0 -93.89 131.71 39.04 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.909 0.385 . . . . 0.0 110.817 -176.161 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.544 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -159.84 134.73 7.9 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.687 176.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.51 ' CB ' ' HG ' ' A' ' 61' ' ' LEU . 64.1 m-85 -84.89 103.1 13.65 Favored 'General case' 0 C--N 1.317 -0.848 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 172.066 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 85.1 t -99.84 134.9 37.64 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.931 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.401 -173.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.547 HD13 HD12 ' A' ' 18' ' ' LEU . 60.7 mt -105.49 119.54 39.35 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.889 -177.149 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -106.71 109.07 20.88 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.773 -171.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.462 ' HA ' ' HA ' ' A' ' 26' ' ' VAL . 7.0 mp -87.2 163.08 17.12 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 175.71 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.519 ' HA ' HD13 ' A' ' 27' ' ' ILE . . . -57.98 -25.48 61.09 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.853 -0.612 . . . . 0.0 112.225 -178.608 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -128.79 3.87 5.44 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.964 -0.562 . . . . 0.0 112.398 -170.591 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -167.37 170.8 11.15 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.861 -176.187 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 15.5 m -139.91 135.2 32.61 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.829 0.347 . . . . 0.0 110.725 -179.037 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 81.4 mt -124.77 129.3 73.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.57 -179.617 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 34.3 m -102.05 121.52 42.33 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.16 0.505 . . . . 0.0 110.645 -174.024 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 43.8 mt -122.47 138.91 51.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.019 -179.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.425 ' HB3' HD12 ' A' ' 13' ' ' LEU . 3.7 p80 -86.23 157.08 56.84 Favored Pre-proline 0 C--N 1.326 -0.429 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 177.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.544 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 19.2 Cg_endo -58.92 153.14 53.03 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.282 1.988 . . . . 0.0 111.421 175.609 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 32.3 mm-40 65.93 64.54 0.55 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.588 0.709 . . . . 0.0 110.501 -174.176 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -141.47 130.17 12.32 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 115.155 -0.93 . . . . 0.0 109.454 177.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -51.12 -31.76 36.95 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 123.54 2.827 . . . . 0.0 113.61 -177.088 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.404 ' HB2' ' HA ' ' A' ' 17' ' ' PRO . 4.2 t -70.51 -43.0 70.56 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.639 0.257 . . . . 0.0 110.808 -176.721 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.51 ' HG ' ' CB ' ' A' ' 43' ' ' PHE . 0.2 OUTLIER -70.76 -41.8 71.28 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 -176.044 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 27.9 t -58.54 -48.5 80.66 Favored 'General case' 0 C--O 1.24 0.576 0 CA-C-O 121.258 0.551 . . . . 0.0 109.938 177.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -60.34 -37.03 79.37 Favored 'General case' 0 C--O 1.224 -0.269 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.485 176.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.455 ' CE3' ' HG ' ' A' ' 23' ' ' LEU . 5.8 t-105 -68.97 -28.3 66.49 Favored 'General case' 0 C--O 1.217 -0.62 0 C-N-CA 121.06 -0.256 . . . . 0.0 111.313 -177.317 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -61.47 -50.7 71.69 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.17 -0.612 . . . . 0.0 110.074 173.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -64.33 -45.75 86.53 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-O 121.395 0.617 . . . . 0.0 110.627 176.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.514 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 12.2 m170 -68.72 -40.73 79.76 Favored 'General case' 0 C--O 1.217 -0.623 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.984 -175.279 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -64.17 -32.6 74.24 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.13 0.49 . . . . 0.0 110.227 -177.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -61.25 -32.71 72.51 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.838 176.383 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 -115.04 30.53 7.29 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.836 179.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.514 ' HB2' ' O ' ' A' ' 67' ' ' HIS . 7.5 tppt? -141.79 -155.49 0.59 Allowed 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 -178.06 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.457 ' H ' ' HG3' ' A' ' 71' ' ' LYS . 1.5 mm? 52.62 -83.48 0.01 OUTLIER 'General case' 0 C--O 1.233 0.199 0 C-N-CA 123.932 0.893 . . . . 0.0 113.312 -174.19 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.407 ' HB2' ' O ' ' A' ' 72' ' ' LEU . 56.2 t-80 159.83 -17.8 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 -165.329 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 116.84 -6.87 17.63 Favored Glycine 0 N--CA 1.446 -0.676 0 CA-C-N 114.701 -1.136 . . . . 0.0 110.623 -172.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 16.3 p -71.19 96.15 1.35 Allowed 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.235 -0.483 . . . . 0.0 111.193 -179.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 30.9 mt -157.36 155.01 26.92 Favored Pre-proline 0 N--CA 1.447 -0.603 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.394 -178.141 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -77.21 178.47 7.59 Favored 'Trans proline' 0 N--CA 1.457 -0.629 0 C-N-CA 122.525 2.15 . . . . 0.0 111.607 178.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -71.62 86.47 0.9 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.137 0.494 . . . . 0.0 109.892 176.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.41 ' C ' ' H ' ' A' ' 81' ' ' PHE . 94.0 mt -86.85 107.27 18.24 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.067 -177.113 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -83.05 23.0 0.89 Allowed 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.578 172.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.49 ' HD2' ' HE2' ' A' ' 83' ' ' MET . 96.8 m-85 -93.52 44.58 1.14 Allowed 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.561 -175.537 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -69.62 -34.0 72.47 Favored Glycine 0 N--CA 1.448 -0.531 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.872 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.49 ' HE2' ' HD2' ' A' ' 81' ' ' PHE . 0.0 OUTLIER -58.97 -34.12 71.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.738 0.78 . . . . 0.0 110.702 -179.121 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.405 ' HB2' ' HE1' ' A' ' 83' ' ' MET . 9.0 tp -92.34 13.38 19.54 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.365 -175.533 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -102.11 52.91 0.81 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.733 0.778 . . . . 0.0 110.667 176.256 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm 63.28 21.1 12.65 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 114.145 -1.389 . . . . 0.0 112.734 172.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 22.5 ptp -115.58 -17.28 11.19 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.532 -0.467 . . . . 0.0 111.376 179.075 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.442 ' OXT' ' HB2' ' A' ' 83' ' ' MET . . . . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.509 -1.162 . . . . 0.0 112.16 178.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 84.9 t80 . . . . . 0 N--CA 1.479 0.976 0 CA-C-O 120.852 0.358 . . . . 0.0 110.438 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.462 ' H ' HD22 ' A' ' 2' ' ' LEU . 2.3 pt? -119.17 144.86 46.44 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 176.297 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -77.19 111.55 17.54 Favored Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.125 177.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.598 ' HB2' ' HB ' ' A' ' 7' ' ' THR . 36.4 Cg_exo -60.76 130.59 33.75 Favored 'Trans proline' 0 N--CA 1.463 -0.322 0 C-N-CA 122.874 2.383 . . . . 0.0 111.817 -179.31 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -49.09 111.85 0.55 Allowed 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 123.24 2.626 . . . . 0.0 113.122 -178.399 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.0 m 74.36 6.61 4.63 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.587 -0.733 . . . . 0.0 112.663 176.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.598 ' HB ' ' HB2' ' A' ' 4' ' ' PRO . 86.5 m -90.13 80.31 6.32 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.674 -0.862 . . . . 0.0 108.674 171.24 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.839 ' HB3' ' HB2' ' A' ' 32' ' ' GLN . . . -77.31 87.44 3.72 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.055 -0.975 . . . . 0.0 111.116 -174.533 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 11.2 t -130.87 34.43 4.09 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.331 -0.85 . . . . 0.0 109.026 179.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 59.6 m -71.35 117.46 12.91 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.894 -177.396 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 15.3 p -102.59 -3.36 26.84 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.683 0.754 . . . . 0.0 109.378 172.701 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -123.8 159.71 28.95 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.706 -1.133 . . . . 0.0 109.279 175.297 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 88.3 mt -134.76 142.77 46.82 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.583 0.23 . . . . 0.0 110.513 -176.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -65.34 -44.33 88.09 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.886 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 51.1 mtp180 66.3 7.65 5.06 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.579 -0.737 . . . . 0.0 112.503 172.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.435 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 72.6 mmtt -124.28 142.06 39.09 Favored Pre-proline 0 C--N 1.323 -0.555 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 179.809 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 16' ' ' LYS . 32.3 Cg_exo -62.71 128.91 24.61 Favored 'Trans proline' 0 N--CA 1.463 -0.295 0 C-N-CA 122.837 2.358 . . . . 0.0 111.701 177.423 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.638 ' HB3' HD11 ' A' ' 22' ' ' LEU . 82.8 mt -77.45 156.32 31.16 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.055 -176.631 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.545 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 48.9 m -72.49 135.93 45.81 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.14 176.042 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -62.88 -28.66 70.19 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 121.124 0.488 . . . . 0.0 110.581 -176.46 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.44 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 27.1 mtpp -60.11 -49.24 78.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.861 178.735 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.638 HD11 ' HB3' ' A' ' 18' ' ' LEU . 4.4 pp -75.97 -27.58 57.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.973 0.416 . . . . 0.0 110.608 175.724 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.635 ' HG ' ' CZ3' ' A' ' 64' ' ' TRP . 14.5 tp -67.76 -37.34 81.97 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.104 -174.324 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.665 ' HB3' ' HD3' ' A' ' 71' ' ' LYS . 14.0 ptm180 -66.37 -5.7 11.68 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 121.041 0.448 . . . . 0.0 111.37 179.09 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.6 mtpt -105.32 7.29 33.33 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.738 -179.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.674 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 43.4 t -82.42 130.82 35.12 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.01 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 170.586 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 14.6 pt -99.2 -36.38 5.41 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.344 -175.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -142.68 157.52 44.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.831 0.348 . . . . 0.0 110.618 -177.191 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 4.5 p -111.84 115.86 50.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 172.28 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -108.16 117.33 33.85 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.602 0.715 . . . . 0.0 111.388 -173.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 48.4 tp -76.86 118.66 19.68 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.75 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.839 ' HB2' ' HB3' ' A' ' 8' ' ' ALA . 32.8 tt0 -79.92 110.71 15.55 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.241 172.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -80.53 147.2 30.94 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 179.245 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.617 ' HB1' ' HB2' ' A' ' 41' ' ' GLN . . . -77.18 28.15 0.14 Allowed 'General case' 0 C--O 1.236 0.384 0 N-CA-C 112.907 0.706 . . . . 0.0 112.907 -167.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -177.39 -14.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.597 0.236 . . . . 0.0 111.038 -178.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -62.14 -74.39 0.41 Allowed Glycine 0 C--N 1.334 0.427 0 C-N-CA 121.315 -0.469 . . . . 0.0 113.099 -178.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -84.16 -44.6 13.82 Favored 'General case' 0 CA--C 1.516 -0.331 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 179.067 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 94.8 m -150.92 -176.55 5.58 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.329 -1.305 . . . . 0.0 108.632 172.469 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 5.1 p-80 -78.24 173.75 11.94 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.754 -0.379 . . . . 0.0 110.091 174.487 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.2 tm? 75.92 121.6 0.05 OUTLIER 'General case' 0 N--CA 1.471 0.621 0 O-C-N 124.241 0.963 . . . . 0.0 110.373 -179.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.617 ' HB2' ' HB1' ' A' ' 34' ' ' ALA . 9.8 tt0 -94.31 131.25 40.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.499 -179.41 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.506 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -147.91 163.03 38.06 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.946 -179.211 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.443 ' CZ ' HD13 ' A' ' 84' ' ' LEU . 2.3 m-85 -109.27 103.7 12.7 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 174.489 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.447 HG11 ' O ' ' A' ' 52' ' ' ILE . 57.9 t -99.68 131.17 47.57 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.696 -171.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 64.3 mt -94.41 124.37 38.39 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.24 0.543 . . . . 0.0 110.569 -178.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 10.8 t60 -102.18 103.59 14.12 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.989 -172.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.674 ' HA ' ' HA ' ' A' ' 26' ' ' VAL . 6.0 mp -79.97 161.96 25.19 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 172.096 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.13 -13.85 20.42 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -178.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -109.99 -42.73 4.14 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.155 -177.648 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.7 168.86 24.98 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.66 -0.245 . . . . 0.0 111.123 -174.391 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.1 m -110.76 157.15 20.09 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.032 0.444 . . . . 0.0 111.757 -176.564 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.447 ' O ' HG11 ' A' ' 44' ' ' VAL . 62.2 mt -125.71 143.9 37.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.127 175.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 25.1 m -99.93 121.52 41.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.025 0.44 . . . . 0.0 110.501 -171.46 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.441 ' HB ' ' O ' ' A' ' 43' ' ' PHE . 5.8 mt -126.44 144.74 35.58 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.722 -174.391 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 20.9 t-80 -65.58 129.46 94.36 Favored Pre-proline 0 CA--C 1.531 0.242 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.689 176.115 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.506 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 72.7 Cg_exo -48.85 -42.61 37.09 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.911 2.408 . . . . 0.0 113.11 -178.694 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 26.1 mm-40 -93.49 78.78 4.36 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 174.183 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -140.31 131.41 14.08 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.905 179.493 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -52.91 -34.85 68.31 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 123.059 2.506 . . . . 0.0 112.982 -177.188 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.4 t -63.75 -30.23 71.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.281 -178.309 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.436 ' O ' ' HB3' ' A' ' 64' ' ' TRP . 0.4 OUTLIER -79.99 -43.61 21.69 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 -176.913 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.0 p -66.59 -44.69 81.5 Favored 'General case' 0 C--O 1.242 0.702 0 CA-C-O 121.684 0.754 . . . . 0.0 110.946 178.341 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -60.56 -28.44 68.46 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.09 175.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.635 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 13.1 t-105 -61.62 -46.07 91.38 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.803 178.473 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -53.16 -41.11 64.86 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.843 0.354 . . . . 0.0 110.541 177.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -76.21 -38.87 55.89 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.054 0.454 . . . . 0.0 111.103 179.368 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.651 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 8.9 m170 -70.42 -45.85 65.09 Favored 'General case' 0 C--O 1.219 -0.539 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.408 -177.612 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.407 ' HG2' ' O ' ' A' ' 64' ' ' TRP . 4.2 pt20 -65.38 -29.72 70.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.992 0.425 . . . . 0.0 110.173 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -57.65 -34.73 69.65 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.974 175.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 -114.24 27.29 9.6 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.251 -178.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.665 ' HD3' ' HB3' ' A' ' 24' ' ' ARG . 4.5 ttmm -146.54 -158.16 0.88 Allowed 'General case' 0 C--N 1.328 -0.368 0 O-C-N 122.294 -0.254 . . . . 0.0 110.733 -174.599 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.632 HD12 ' CH2' ' A' ' 64' ' ' TRP . 6.9 mp 52.47 -107.39 0.34 Allowed 'General case' 0 C--N 1.342 0.245 0 CA-C-O 120.777 0.322 . . . . 0.0 110.901 -175.263 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 36.6 t60 -151.2 16.82 0.74 Allowed 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 78.71 -5.86 55.95 Favored Glycine 0 C--N 1.331 0.287 0 CA-C-N 115.566 -0.743 . . . . 0.0 112.71 -177.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 26.8 p -79.65 104.79 10.48 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.596 0.236 . . . . 0.0 111.272 -178.564 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 41.9 mt -143.59 155.56 60.23 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-O 121.035 0.445 . . . . 0.0 111.163 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_endo -91.29 -169.97 0.32 Allowed 'Trans proline' 0 N--CA 1.455 -0.736 0 C-N-CA 123.542 2.828 . . . . 0.0 111.869 179.338 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -93.96 89.27 6.01 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.916 0.389 . . . . 0.0 110.783 177.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.585 ' HB3' ' HD1' ' A' ' 81' ' ' PHE . 62.2 mt -97.44 120.62 38.14 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.403 179.211 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -77.55 23.4 0.22 Allowed 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 121.512 0.672 . . . . 0.0 110.498 173.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.585 ' HD1' ' HB3' ' A' ' 79' ' ' LEU . 95.9 m-85 -98.85 13.49 32.27 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.023 -172.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -69.46 -12.33 66.39 Favored Glycine 0 N--CA 1.451 -0.307 0 N-CA-C 111.292 -0.723 . . . . 0.0 111.292 176.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.51 ' O ' ' HB2' ' A' ' 87' ' ' MET . 0.0 OUTLIER -66.74 -9.25 34.69 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.33 -0.435 . . . . 0.0 111.494 177.203 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.446 ' HG ' ' SD ' ' A' ' 83' ' ' MET . 51.2 mt -86.3 -1.72 57.75 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.272 178.727 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 76.6 mtp180 -79.12 73.28 5.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.912 0.387 . . . . 0.0 111.332 -178.221 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt 64.4 14.71 9.01 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.474 -0.784 . . . . 0.0 112.042 174.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.51 ' HB2' ' O ' ' A' ' 83' ' ' MET . 53.5 mtt -90.27 -18.74 25.09 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.2 0.524 . . . . 0.0 109.82 177.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.176 -1.347 . . . . 0.0 111.368 177.97 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 89.0 t80 . . . . . 0 N--CA 1.48 1.067 0 CA-C-O 121.295 0.569 . . . . 0.0 110.369 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.459 ' O ' ' HD3' ' A' ' 4' ' ' PRO . 46.0 tp -142.95 135.04 27.14 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.484 176.008 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.462 ' HB2' ' HB2' ' A' ' 51' ' ' SER . 3.7 mm? -73.8 110.85 10.07 Favored Pre-proline 0 N--CA 1.444 -0.774 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 173.807 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 1.005 ' HB2' ' HB ' ' A' ' 7' ' ' THR . 52.3 Cg_exo -55.84 135.6 70.39 Favored 'Trans proline' 0 N--CA 1.462 -0.367 0 C-N-CA 122.832 2.354 . . . . 0.0 111.922 -178.292 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -54.33 117.46 3.96 Favored 'Trans proline' 0 C--O 1.234 0.297 0 C-N-CA 123.075 2.516 . . . . 0.0 111.835 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.9 m 65.24 30.4 11.3 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 121.279 0.561 . . . . 0.0 110.757 -177.275 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 1.005 ' HB ' ' HB2' ' A' ' 4' ' ' PRO . 13.7 m -148.33 69.78 1.11 Allowed 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 174.084 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -117.62 86.84 2.59 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.665 -171.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 92.2 m -82.44 85.73 6.87 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 171.43 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.458 ' HB2' ' OE1' ' A' ' 32' ' ' GLN . 62.2 m -64.64 129.69 40.76 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.061 178.69 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 13.8 t -128.5 12.3 6.41 Favored 'General case' 0 C--N 1.312 -1.055 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 171.165 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -144.81 146.08 31.94 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 113.991 -1.459 . . . . 0.0 109.552 -179.558 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 68.5 mt -132.48 122.5 24.99 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 179.193 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -59.26 -50.68 73.06 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.752 -176.038 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.409 ' HG2' ' O ' ' A' ' 15' ' ' ARG . 40.9 ttp180 63.93 25.82 14.04 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.681 0.753 . . . . 0.0 111.091 174.775 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.516 ' HD2' ' HD2' ' A' ' 17' ' ' PRO . 22.2 mmtp -140.06 154.9 70.78 Favored Pre-proline 0 C--N 1.319 -0.743 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.051 177.725 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.701 ' HA ' ' OG ' ' A' ' 60' ' ' SER . 31.5 Cg_endo -64.18 142.14 78.94 Favored 'Trans proline' 0 N--CA 1.462 -0.327 0 C-N-CA 122.666 2.244 . . . . 0.0 112.099 176.352 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 87.4 mt -98.13 167.12 11.07 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.356 177.408 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.662 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 16.5 m -99.09 137.17 38.0 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.806 -179.043 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -63.28 -27.4 69.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.575 -179.007 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 38.4 mttm -54.93 -49.72 70.64 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.021 0.439 . . . . 0.0 109.852 178.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.662 ' HG ' ' O ' ' A' ' 19' ' ' SER . 4.0 pp -76.16 -36.36 58.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.677 175.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.435 HD11 ' HA ' ' A' ' 23' ' ' LEU . 6.7 tp -63.21 -36.96 85.38 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.675 -0.693 . . . . 0.0 112.138 -170.183 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.3 ptp180 -64.7 -11.81 39.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.872 0.368 . . . . 0.0 111.275 179.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -101.28 13.17 35.94 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.264 -177.309 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.78 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 20.3 t -72.01 147.62 10.39 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.695 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.486 172.699 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 13.3 pt -114.13 -35.76 2.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 C-N-CA 121.151 -0.22 . . . . 0.0 111.346 179.356 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 -141.41 157.62 44.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.795 0.331 . . . . 0.0 110.762 -178.35 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.682 HG21 HE22 ' A' ' 68' ' ' GLN . 46.9 t -119.36 120.83 64.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 174.735 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -124.11 111.25 15.71 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.336 -171.703 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -90.22 130.05 36.4 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.361 0.601 . . . . 0.0 109.94 176.202 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.52 ' O ' ' HA ' ' A' ' 41' ' ' GLN . 58.2 tt0 -77.44 105.48 8.6 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.596 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -73.3 134.92 44.34 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 176.165 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.496 ' HA ' ' O ' ' A' ' 40' ' ' LEU . . . -67.85 7.7 0.49 Allowed 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 114.12 1.155 . . . . 0.0 114.12 -167.236 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -175.66 -21.68 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 178.499 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -70.92 -33.33 65.84 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.882 -0.675 . . . . 0.0 111.877 174.059 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -110.72 -50.47 2.95 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.151 0.501 . . . . 0.0 110.301 179.004 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 19.6 t -168.43 161.35 11.78 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.827 -1.175 . . . . 0.0 107.827 -178.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 15.2 t60 -74.64 78.41 2.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 118.754 0.706 . . . . 0.0 112.22 -172.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.505 ' O ' ' HG2' ' A' ' 32' ' ' GLN . 62.5 tp 174.09 153.56 0.11 Allowed 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 124.328 1.051 . . . . 0.0 108.452 171.696 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.52 ' HA ' ' O ' ' A' ' 32' ' ' GLN . 29.8 tt0 -113.1 121.9 45.94 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 176.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.471 ' HA ' ' HG3' ' A' ' 56' ' ' PRO . . . -155.55 176.16 12.96 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 -178.074 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -126.44 112.05 15.16 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.258 -0.428 . . . . 0.0 109.878 175.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 11.4 t -104.33 132.62 50.48 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-O 121.026 0.441 . . . . 0.0 110.476 -175.132 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 70.2 mt -104.58 119.0 37.98 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.889 -179.626 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -104.42 103.53 13.25 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.418 -168.429 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.78 ' HA ' ' HA ' ' A' ' 26' ' ' VAL . 6.5 mp -83.3 159.55 21.88 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 173.303 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.53 -3.66 9.32 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.646 0.26 . . . . 0.0 111.321 178.305 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -109.77 -47.75 3.31 Favored 'General case' 0 N--CA 1.446 -0.656 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 -179.544 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.431 ' HA ' ' CD1' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -156.88 174.67 15.16 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.137 -177.377 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.462 ' HB2' ' HB2' ' A' ' 3' ' ' LEU . 11.2 m -124.1 135.63 53.68 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.657 0.265 . . . . 0.0 110.745 -178.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 4.9 mp -107.88 136.44 43.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 174.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 44.4 t -101.7 127.84 48.28 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.64 0.733 . . . . 0.0 110.132 -178.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -111.43 134.72 52.88 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.872 0 CA-C-N 115.098 -0.955 . . . . 0.0 111.166 -173.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.571 ' O ' ' HB2' ' A' ' 58' ' ' ASN . 13.5 t-80 -63.3 132.87 95.26 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.344 172.323 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.497 ' O ' ' HB2' ' A' ' 57' ' ' GLN . 50.3 Cg_exo -53.76 141.48 65.05 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 121.926 1.75 . . . . 0.0 111.789 178.557 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.497 ' HB2' ' O ' ' A' ' 56' ' ' PRO . 1.7 mp0 74.95 17.06 2.82 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 123.428 0.691 . . . . 0.0 111.181 -175.641 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.571 ' HB2' ' O ' ' A' ' 55' ' ' HIS . 6.7 t30 -76.26 130.57 77.2 Favored Pre-proline 0 C--O 1.235 0.301 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 174.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.499 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 3.9 Cg_endo -46.3 -47.75 14.5 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 123.693 2.929 . . . . 0.0 113.045 -177.078 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.701 ' OG ' ' HA ' ' A' ' 17' ' ' PRO . 66.3 m -63.02 -19.43 64.36 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 113.186 0.809 . . . . 0.0 113.186 -176.239 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.91 -39.98 29.2 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 179.742 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 40.9 t -69.39 -50.92 41.58 Favored 'General case' 0 C--O 1.244 0.794 0 CA-C-O 121.375 0.607 . . . . 0.0 110.812 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.499 ' HG2' ' O ' ' A' ' 59' ' ' PRO . 2.7 pt20 -61.17 -27.52 68.47 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.967 177.066 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.495 ' HB2' ' O ' ' A' ' 60' ' ' SER . 5.4 t-105 -61.91 -39.07 90.74 Favored 'General case' 0 C--O 1.22 -0.48 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.342 179.06 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.627 ' HA ' ' OE1' ' A' ' 68' ' ' GLN . 10.4 m-85 -59.05 -35.71 73.78 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.995 0.426 . . . . 0.0 110.812 176.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.409 ' O ' ' HB3' ' A' ' 69' ' ' GLU . 37.1 mt-10 -74.79 -46.89 33.92 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-O 121.708 0.766 . . . . 0.0 110.907 175.746 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.563 ' HB3' ' HE2' ' A' ' 71' ' ' LYS . 16.8 m170 -68.22 -41.39 81.36 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.227 -175.423 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.682 HE22 HG21 ' A' ' 29' ' ' VAL . 2.0 pt20 -67.23 -26.86 66.8 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 -179.627 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.409 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 8.2 tp10 -60.95 -29.57 69.71 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.151 175.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 17.4 ptp180 -114.58 12.17 17.2 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -177.046 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.563 ' HE2' ' HB3' ' A' ' 67' ' ' HIS . 61.8 mttm -130.57 -156.17 0.74 Allowed 'General case' 0 N--CA 1.469 0.479 0 O-C-N 122.111 -0.368 . . . . 0.0 110.977 177.726 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.0 mp 52.14 44.24 29.83 Favored 'General case' 0 CA--C 1.513 -0.451 0 N-CA-C 114.253 1.205 . . . . 0.0 114.253 175.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 4.9 t-160 67.61 9.11 6.83 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.649 0.261 . . . . 0.0 111.521 168.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 69.93 21.84 76.89 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.391 -0.909 . . . . 0.0 111.357 -173.53 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.59 125.19 44.39 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 -179.092 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.565 HD13 ' HD2' ' A' ' 77' ' ' PRO . 15.6 tp -150.02 142.5 15.78 Favored Pre-proline 0 N--CA 1.441 -0.913 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 -173.257 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.565 ' HD2' HD13 ' A' ' 76' ' ' LEU . 85.5 Cg_endo -72.25 143.85 40.39 Favored 'Trans proline' 0 C--N 1.326 -0.636 0 C-N-CA 122.69 2.26 . . . . 0.0 111.81 178.379 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 60.5 tttm -78.91 78.77 5.34 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.207 0.527 . . . . 0.0 109.995 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.7 pp -99.84 11.85 38.21 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.088 176.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.601 ' O ' ' HG3' ' A' ' 83' ' ' MET . 86.8 m-20 57.7 75.89 0.35 Allowed 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 114.047 -1.433 . . . . 0.0 110.681 -178.138 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.485 ' HA ' ' HE2' ' A' ' 65' ' ' PHE . 5.3 p90 -77.96 13.96 1.25 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.802 -0.635 . . . . 0.0 112.158 -175.029 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -100.56 4.94 56.79 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.221 179.519 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.601 ' HG3' ' O ' ' A' ' 80' ' ' ASN . 0.0 OUTLIER -108.1 -4.66 17.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.871 0.367 . . . . 0.0 111.674 -179.051 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.501 HD13 ' O ' ' A' ' 84' ' ' LEU . 1.6 tm? -109.21 -25.46 10.6 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.129 0.49 . . . . 0.0 109.791 -178.486 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -69.32 137.65 53.14 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.657 -178.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm 70.81 4.36 4.99 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.5 -177.061 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 25.7 mmt -96.48 -34.0 11.65 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.416 0.627 . . . . 0.0 109.421 174.675 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.083 -1.398 . . . . 0.0 110.985 176.583 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 46.0 p90 . . . . . 0 N--CA 1.48 1.034 0 CA-C-O 120.965 0.412 . . . . 0.0 110.474 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.521 ' O ' ' HD3' ' A' ' 4' ' ' PRO . 4.1 pp -123.76 145.74 48.81 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 173.393 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.432 HD13 ' HA ' ' A' ' 3' ' ' LEU . 4.3 mm? -73.58 111.82 13.62 Favored Pre-proline 0 C--N 1.322 -0.621 0 O-C-N 123.162 0.289 . . . . 0.0 110.622 178.864 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.591 ' HB2' ' HB ' ' A' ' 7' ' ' THR . 31.4 Cg_exo -58.74 131.51 42.58 Favored 'Trans proline' 0 N--CA 1.46 -0.468 0 C-N-CA 122.722 2.281 . . . . 0.0 111.651 177.583 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.456 ' HB3' ' CD2' ' A' ' 46' ' ' HIS . 9.7 Cg_endo -53.53 129.56 34.41 Favored 'Trans proline' 0 C--O 1.235 0.369 0 C-N-CA 122.974 2.449 . . . . 0.0 112.367 179.703 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.9 m 70.18 10.91 7.47 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.514 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.591 ' HB ' ' HB2' ' A' ' 4' ' ' PRO . 72.4 m -122.39 81.11 1.8 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 172.436 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -114.72 103.94 11.48 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -169.448 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.401 ' HA ' ' HB2' ' A' ' 38' ' ' CYS . 33.1 t -126.75 35.46 4.61 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 106.387 -1.709 . . . . 0.0 106.387 163.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.425 ' O ' HD12 ' A' ' 40' ' ' LEU . 8.3 t -59.11 118.38 5.79 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 113.207 -1.815 . . . . 0.0 110.638 -174.186 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.9 p -85.08 -56.35 3.6 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.323 -179.314 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.419 ' NE2' ' SG ' ' A' ' 10' ' ' CYS . 0.2 OUTLIER -76.54 137.35 39.53 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.549 0.69 . . . . 0.0 111.401 178.062 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.449 HD13 ' HA ' ' A' ' 55' ' ' HIS . 83.2 mt -119.55 144.84 46.84 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 -177.698 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -76.34 -34.72 58.98 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.574 -0.284 . . . . 0.0 110.836 -175.52 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.771 ' HG3' ' H ' ' A' ' 16' ' ' LYS . 5.7 tpt180 63.58 -177.42 0.15 Allowed 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 -176.846 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.771 ' H ' ' HG3' ' A' ' 15' ' ' ARG . 36.4 mtmm 68.41 166.86 0.12 Allowed Pre-proline 0 N--CA 1.466 0.372 0 CA-C-O 120.915 0.388 . . . . 0.0 111.441 177.148 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.557 ' HA ' ' HB2' ' A' ' 60' ' ' SER . 1.7 Cg_endo -84.3 138.33 7.55 Favored 'Trans proline' 0 N--CA 1.454 -0.803 0 C-N-CA 122.754 2.303 . . . . 0.0 111.259 170.486 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 89.3 mt -80.5 144.26 32.66 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.943 -0.392 . . . . 0.0 109.943 178.198 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.586 ' HB2' ' HG ' ' A' ' 22' ' ' LEU . 48.3 m -61.48 147.45 45.22 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.909 179.921 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -56.76 -37.21 70.75 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.879 -177.51 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -56.99 -44.01 82.3 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.955 177.759 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.586 ' HG ' ' HB2' ' A' ' 19' ' ' SER . 1.0 OUTLIER -73.38 -43.47 60.54 Favored 'General case' 0 CA--C 1.512 -0.493 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 -179.709 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.509 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 33.7 mt -58.53 -49.13 78.51 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 115.087 -0.961 . . . . 0.0 111.95 -174.214 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -61.71 -9.45 6.37 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -177.67 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 47.3 mtmt -99.52 -7.46 25.92 Favored 'General case' 0 C--O 1.236 0.395 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.816 179.623 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.652 HG22 ' HG ' ' A' ' 47' ' ' LEU . 39.9 t -74.82 133.39 31.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 175.608 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 19.8 pt -110.14 -22.72 4.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 112.445 0.535 . . . . 0.0 112.445 -173.519 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.42 ' OE1' ' HG3' ' A' ' 77' ' ' PRO . 70.2 mm-40 -149.16 156.98 43.0 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.964 0.411 . . . . 0.0 111.651 -179.462 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 43.8 t -112.94 128.5 69.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.401 177.33 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -119.16 139.37 51.93 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.937 0.398 . . . . 0.0 110.655 -176.361 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.455 HD12 ' CZ ' ' A' ' 43' ' ' PHE . 42.3 tp -105.13 119.43 39.02 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.15 0.5 . . . . 0.0 111.304 -179.285 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -87.02 104.7 16.56 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 170.609 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -74.28 144.6 44.52 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.778 -176.71 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.696 ' HB1' ' HB2' ' A' ' 41' ' ' GLN . . . -78.14 5.76 9.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.515 -176.833 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -157.77 -30.79 0.08 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.966 179.612 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -71.0 3.29 13.75 Favored Glycine 0 CA--C 1.521 0.468 0 C-N-CA 120.996 -0.621 . . . . 0.0 113.383 -179.822 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -165.29 -65.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.408 0.623 . . . . 0.0 109.979 178.198 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.401 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 11.5 t -111.29 164.52 12.82 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.176 -0.92 . . . . 0.0 109.363 -175.336 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.3 p-80 -91.5 30.04 1.38 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.078 0.465 . . . . 0.0 111.782 179.873 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.425 HD12 ' O ' ' A' ' 10' ' ' CYS . 1.0 OUTLIER -158.34 151.7 23.11 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 171.493 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.696 ' HB2' ' HB1' ' A' ' 34' ' ' ALA . 55.7 tt0 -98.44 143.85 28.44 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.952 0.406 . . . . 0.0 111.078 -175.331 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -153.84 152.13 30.32 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.122 176.876 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.539 ' CB ' ' HG ' ' A' ' 61' ' ' LEU . 16.5 m-85 -111.5 106.61 15.54 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 172.729 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.4 t -105.97 126.84 61.42 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.406 -170.56 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.7 mt -95.81 131.14 42.43 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.478 -176.791 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.456 ' CD2' ' HB3' ' A' ' 5' ' ' PRO . 20.3 t-80 -108.2 112.01 24.29 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.276 0.56 . . . . 0.0 110.99 -177.121 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.652 ' HG ' HG22 ' A' ' 26' ' ' VAL . 4.4 mp -89.22 164.83 14.8 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 172.88 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.55 0.45 12.54 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.043 0.449 . . . . 0.0 110.814 178.569 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -117.18 -28.47 6.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.122 179.432 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.5 ptm180 -165.81 175.54 8.64 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.885 -0.326 . . . . 0.0 111.467 -168.434 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.8 m -127.09 139.03 53.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 109.973 177.423 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 63.4 mt -125.87 136.76 59.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 -179.708 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 66.9 m -100.07 121.06 40.8 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.305 0.574 . . . . 0.0 110.472 -174.797 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.51 ' HB ' ' O ' ' A' ' 43' ' ' PHE . 5.4 mt -111.2 141.38 26.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.982 -177.328 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.449 ' HA ' HD13 ' A' ' 13' ' ' LEU . 50.2 t-80 -62.48 127.88 90.64 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.677 173.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.429 ' HA ' ' HD1' ' A' ' 43' ' ' PHE . 79.7 Cg_exo -46.99 -58.83 1.5 Allowed 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 123.045 2.497 . . . . 0.0 113.318 -174.903 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -77.65 72.86 4.21 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.131 0.491 . . . . 0.0 110.077 176.669 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.413 ' HB2' ' O ' ' A' ' 55' ' ' HIS . 3.2 m-20 -131.35 137.47 30.61 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.118 177.343 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -61.18 -30.32 88.46 Favored 'Trans proline' 0 N--CA 1.463 -0.284 0 C-N-CA 122.58 2.187 . . . . 0.0 111.708 176.954 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.557 ' HB2' ' HA ' ' A' ' 17' ' ' PRO . 27.0 t -66.17 -32.59 74.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.846 -175.635 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.539 ' HG ' ' CB ' ' A' ' 43' ' ' PHE . 1.0 OUTLIER -80.35 -46.47 16.03 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.287 -176.873 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.3 p -64.22 -47.65 78.87 Favored 'General case' 0 C--O 1.248 0.978 0 CA-C-O 121.653 0.739 . . . . 0.0 110.674 179.919 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -61.07 -28.7 69.26 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.303 177.615 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.509 ' CZ3' ' HB3' ' A' ' 23' ' ' LEU . 23.2 t-105 -62.98 -38.74 92.36 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.676 -179.075 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -54.41 -42.35 70.36 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.143 0.497 . . . . 0.0 110.143 176.549 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.459 ' O ' ' HB3' ' A' ' 69' ' ' GLU . 47.3 mt-10 -75.36 -41.35 56.66 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 121.326 0.584 . . . . 0.0 111.183 177.211 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.466 ' HB2' ' HA ' ' A' ' 64' ' ' TRP . 9.5 m170 -63.69 -45.48 89.84 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.601 -177.279 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.5 ' HG2' ' O ' ' A' ' 64' ' ' TRP . 11.1 pt20 -68.07 -26.32 65.78 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.791 0.329 . . . . 0.0 110.269 -179.851 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.459 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 42.0 tt0 -58.01 -34.58 70.16 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.294 177.244 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.4 ptt180 -105.42 10.97 33.15 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 178.447 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 62.9 mttm -127.13 -159.18 0.92 Allowed 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 175.781 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.9 mp 59.3 -83.08 0.02 OUTLIER 'General case' 0 C--N 1.342 0.26 0 O-C-N 123.511 0.507 . . . . 0.0 111.533 -178.317 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 12.7 t-80 -156.1 5.15 0.18 Allowed 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.375 -176.756 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 77.02 18.14 79.02 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.794 -0.717 . . . . 0.0 111.337 -172.892 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 16.6 p -129.84 147.15 51.58 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-O 120.854 0.359 . . . . 0.0 110.659 -175.291 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.717 HD13 ' C ' ' A' ' 76' ' ' LEU . 2.8 pp -156.29 159.97 31.08 Favored Pre-proline 0 C--N 1.321 -0.672 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 179.739 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.42 ' HG3' ' OE1' ' A' ' 28' ' ' GLN . 64.1 Cg_endo -86.92 177.28 4.12 Favored 'Trans proline' 0 N--CA 1.46 -0.487 0 C-N-CA 122.3 2.0 . . . . 0.0 112.665 -179.049 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -79.88 82.27 5.99 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.366 0.603 . . . . 0.0 110.974 -178.726 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.471 ' HB3' ' CD2' ' A' ' 81' ' ' PHE . 78.1 mt -95.47 115.56 27.6 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.305 179.17 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -75.0 38.0 0.12 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.054 175.337 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.471 ' CD2' ' HB3' ' A' ' 79' ' ' LEU . 21.9 m-85 -99.95 15.56 26.77 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-O 121.012 0.434 . . . . 0.0 110.386 -178.079 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.842 ' HA2' ' HG3' ' A' ' 85' ' ' ARG . . . -64.89 -15.1 59.71 Favored Glycine 0 C--O 1.226 -0.389 0 N-CA-C 111.347 -0.701 . . . . 0.0 111.347 175.468 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 24.1 ptt? -46.76 -29.36 1.88 Allowed 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 124.257 1.023 . . . . 0.0 113.032 178.536 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.521 ' C ' HD12 ' A' ' 84' ' ' LEU . 0.7 OUTLIER -126.14 12.05 7.67 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 112.786 0.661 . . . . 0.0 112.786 -175.277 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.842 ' HG3' ' HA2' ' A' ' 82' ' ' GLY . 30.8 mtm180 -74.97 97.32 3.34 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.413 -179.444 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 40.1 mtmt 62.65 15.6 8.16 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 121.353 0.597 . . . . 0.0 111.244 -178.918 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 63.4 mtm -126.69 12.61 7.4 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.767 177.039 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.891 0 CA-C-O 118.8 -1.0 . . . . 0.0 111.242 179.791 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 81.7 t80 . . . . . 0 N--CA 1.476 0.846 0 CA-C-O 121.439 0.638 . . . . 0.0 110.114 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 15.2 tp -139.61 107.45 5.67 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.011 179.184 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 29.0 mt -63.94 110.97 4.42 Favored Pre-proline 0 N--CA 1.447 -0.597 0 CA-C-O 120.926 0.393 . . . . 0.0 110.393 175.641 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.678 ' HB2' ' HB ' ' A' ' 7' ' ' THR . 52.1 Cg_exo -55.02 129.18 33.95 Favored 'Trans proline' 0 N--CA 1.461 -0.39 0 C-N-CA 123.02 2.48 . . . . 0.0 112.506 -174.672 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_endo -53.13 130.19 36.99 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 122.879 2.386 . . . . 0.0 112.087 177.56 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.9 m 68.27 14.61 9.24 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.167 179.747 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.678 ' HB ' ' HB2' ' A' ' 4' ' ' PRO . 24.8 m -123.77 91.7 3.52 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 172.55 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.433 ' O ' ' HG3' ' A' ' 32' ' ' GLN . . . -101.67 105.94 16.92 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.742 -169.829 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 34.5 t -144.23 66.53 1.27 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.603 0.716 . . . . 0.0 109.679 172.827 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 83.0 m -76.24 118.95 19.49 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.831 -179.9 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -95.33 2.12 54.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.436 0.636 . . . . 0.0 110.573 173.403 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -128.13 161.76 28.49 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.736 174.022 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 95.4 mt -137.78 139.91 40.3 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.319 -176.623 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.42 ' CE2' ' HB2' ' A' ' 16' ' ' LYS . 61.4 t80 -66.68 -44.0 82.97 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.825 177.916 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.424 HH11 ' HD2' ' A' ' 15' ' ' ARG . 62.3 mtt85 73.37 -38.1 0.4 Allowed 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 115.617 -0.719 . . . . 0.0 112.918 172.647 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.42 ' HB2' ' CE2' ' A' ' 14' ' ' TYR . 65.4 mttm -73.9 154.09 88.96 Favored Pre-proline 0 C--N 1.323 -0.585 0 N-CA-C 110.389 -0.226 . . . . 0.0 110.389 176.176 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.406 ' HA ' ' HB2' ' A' ' 60' ' ' SER . 12.2 Cg_exo -70.85 143.78 46.49 Favored 'Trans proline' 0 N--CA 1.459 -0.515 0 C-N-CA 122.53 2.154 . . . . 0.0 111.836 176.148 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.896 ' HB3' HD13 ' A' ' 22' ' ' LEU . 70.1 mt -89.34 136.98 32.72 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.497 179.305 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.672 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 20.2 m -66.55 142.42 57.51 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.72 178.985 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.552 ' OD1' ' HE3' ' A' ' 71' ' ' LYS . 20.5 t70 -60.47 -29.52 69.09 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.168 0.508 . . . . 0.0 111.063 -176.555 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -56.78 -46.75 81.31 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.557 178.181 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.896 HD13 ' HB3' ' A' ' 18' ' ' LEU . 4.2 pp -75.85 -29.36 58.54 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.818 176.958 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.498 HD12 ' HA ' ' A' ' 20' ' ' ASP . 69.3 mt -60.39 -45.43 93.57 Favored 'General case' 0 C--O 1.223 -0.34 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.624 -177.481 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -60.96 0.03 0.26 Allowed 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 -178.197 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.61 ' NZ ' ' HA ' ' A' ' 22' ' ' LEU . 35.9 mtmm -113.54 -3.52 13.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.59 0.233 . . . . 0.0 111.164 177.254 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.723 HG22 ' HG ' ' A' ' 47' ' ' LEU . 22.4 t -76.72 94.63 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.452 0.644 . . . . 0.0 109.38 -179.594 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.0 pt -76.66 -25.34 16.0 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.885 0 CA-C-N 115.235 -0.893 . . . . 0.0 112.303 -169.868 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -137.61 146.18 43.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.867 0.365 . . . . 0.0 111.56 -176.386 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.6 t -113.85 120.21 63.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 174.654 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -112.07 132.99 54.5 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.018 0.437 . . . . 0.0 111.006 -171.515 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 41.2 tp -97.67 105.65 17.83 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.123 0.487 . . . . 0.0 110.03 176.682 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.44 ' O ' ' HA ' ' A' ' 41' ' ' GLN . 39.0 tt0 -71.04 104.43 3.0 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.31 174.758 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -77.48 141.67 39.54 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.498 -179.195 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.493 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . . . -82.24 4.45 23.52 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.542 -179.253 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -139.8 -42.42 0.44 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.994 179.82 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -67.9 -21.36 73.27 Favored Glycine 0 C--N 1.332 0.331 0 C-N-CA 121.053 -0.594 . . . . 0.0 113.196 -177.34 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -141.95 -65.48 0.42 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.373 0.606 . . . . 0.0 110.164 -178.005 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 17.2 t -99.47 -171.03 1.99 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.485 -174.388 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 45.3 p-80 -106.0 -4.65 20.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.308 0.575 . . . . 0.0 109.577 172.816 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.4 tt -128.42 138.92 52.55 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.213 -0.903 . . . . 0.0 108.744 -179.669 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.493 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 29.0 tt0 -94.58 131.37 40.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.133 0.492 . . . . 0.0 111.23 -177.818 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.652 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -142.25 170.36 15.86 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.055 -177.791 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -121.7 103.49 8.92 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 173.663 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.467 HG12 ' O ' ' A' ' 52' ' ' ILE . 73.8 t -102.64 138.92 25.1 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 CA-C-O 121.195 0.521 . . . . 0.0 111.125 -171.704 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.519 HD11 HD12 ' A' ' 18' ' ' LEU . 72.4 mt -105.7 125.27 50.79 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.642 -177.299 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.412 ' HD2' ' HA ' ' A' ' 48' ' ' ALA . 0.6 OUTLIER -105.5 111.97 24.88 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.668 -175.911 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.759 ' HB2' ' HB2' ' A' ' 50' ' ' ARG . 6.1 mp -96.04 12.09 31.78 Favored 'General case' 0 CA--C 1.506 -0.725 0 CA-C-N 115.193 -0.912 . . . . 0.0 109.011 179.301 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.412 ' HA ' ' HD2' ' A' ' 46' ' ' HIS . . . 80.96 -65.32 0.15 Allowed 'General case' 0 C--N 1.305 -1.36 0 CA-C-N 112.614 -2.085 . . . . 0.0 109.973 172.116 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -79.51 -22.09 44.43 Favored 'General case' 0 C--N 1.311 -1.105 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 173.607 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.759 ' HB2' ' HB2' ' A' ' 47' ' ' LEU . 72.9 mtt180 -120.1 154.85 34.1 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 115.604 -0.726 . . . . 0.0 111.659 178.599 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.1 m -142.23 124.1 15.22 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 173.613 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.467 ' O ' HG12 ' A' ' 44' ' ' VAL . 67.8 mt -123.14 140.37 47.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.252 -175.954 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 63.1 m -101.35 121.51 42.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.543 0.687 . . . . 0.0 111.184 -173.185 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 49.0 mt -130.7 148.44 33.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.04 -0.982 . . . . 0.0 109.404 -178.755 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 5.3 p80 -99.7 155.89 35.98 Favored Pre-proline 0 C--N 1.328 -0.336 0 O-C-N 121.781 -0.574 . . . . 0.0 110.161 178.044 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.652 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 62.2 Cg_exo -50.57 147.24 17.85 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 123.202 2.601 . . . . 0.0 112.638 177.258 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 67.4 mt-30 70.95 29.54 2.99 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.28 175.843 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -97.47 134.78 22.18 Favored Pre-proline 0 C--N 1.326 -0.415 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 171.696 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.429 ' O ' ' HG3' ' A' ' 63' ' ' GLN . 73.1 Cg_exo -49.26 -36.95 38.76 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 123.061 2.508 . . . . 0.0 113.148 -177.665 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.406 ' HB2' ' HA ' ' A' ' 17' ' ' PRO . 5.3 t -67.84 -37.87 82.45 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.726 -0.216 . . . . 0.0 111.029 -176.227 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.28 -47.04 59.34 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 -176.902 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.427 ' HG ' ' HA3' ' A' ' 88' ' ' GLY . 25.1 m -61.29 -48.14 82.75 Favored 'General case' 0 C--O 1.242 0.68 0 CA-C-O 121.043 0.449 . . . . 0.0 111.222 178.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.429 ' HG3' ' O ' ' A' ' 59' ' ' PRO . 46.2 mt-30 -61.57 -33.16 73.4 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.375 178.833 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.435 ' CZ2' ' HB ' ' A' ' 26' ' ' VAL . 14.1 t-105 -65.67 -35.98 82.34 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.696 179.343 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -53.44 -46.22 69.75 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.902 0.382 . . . . 0.0 110.746 176.007 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.446 ' O ' ' HB3' ' A' ' 69' ' ' GLU . 46.0 mt-10 -81.05 -36.94 29.87 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-O 121.3 0.571 . . . . 0.0 111.106 -178.269 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 8.6 m170 -65.88 -44.93 83.89 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.806 -179.307 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -63.33 -29.78 71.03 Favored 'General case' 0 CA--C 1.521 -0.167 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 178.948 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.446 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 12.5 tp10 -55.75 -32.24 63.24 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.575 178.872 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 21.6 ptt180 -111.95 10.66 20.59 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 112.492 0.552 . . . . 0.0 112.492 -178.744 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.552 ' HE3' ' OD1' ' A' ' 20' ' ' ASP . 59.3 mttm -124.59 -149.08 0.41 Allowed 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 -177.196 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.499 ' N ' HD21 ' A' ' 72' ' ' LEU . 2.5 mm? 56.52 -83.28 0.01 OUTLIER 'General case' 0 C--N 1.35 0.618 0 C-N-CA 123.516 0.726 . . . . 0.0 111.802 -171.668 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.408 ' HB2' ' O ' ' A' ' 72' ' ' LEU . 17.7 t-160 172.78 21.83 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 -177.509 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 80.87 -6.19 63.1 Favored Glycine 0 N--CA 1.45 -0.4 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 -169.956 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.2 p -85.01 108.96 17.86 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 115.241 -0.479 . . . . 0.0 110.678 178.917 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 72.7 mt -144.54 154.27 56.16 Favored Pre-proline 0 C--N 1.319 -0.731 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 -177.902 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -81.5 166.59 17.73 Favored 'Trans proline' 0 N--CA 1.45 -1.034 0 C-N-CA 122.339 2.026 . . . . 0.0 111.365 178.282 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -77.64 71.06 4.1 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.803 0.811 . . . . 0.0 111.258 -176.466 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 55.0 mt -78.02 108.71 11.5 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.586 179.556 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -89.72 27.94 1.43 Allowed 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.587 0.708 . . . . 0.0 109.489 173.492 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.696 ' HD1' ' HE3' ' A' ' 83' ' ' MET . 93.5 m-85 -97.84 39.56 1.21 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.609 -175.943 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -73.18 -14.63 78.95 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.073 179.77 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.696 ' HE3' ' HD1' ' A' ' 81' ' ' PHE . 0.0 OUTLIER -71.46 -11.07 60.69 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.835 0.35 . . . . 0.0 110.777 -179.598 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.487 HD13 ' O ' ' A' ' 84' ' ' LEU . 0.7 OUTLIER -88.66 -21.21 24.07 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.432 0.634 . . . . 0.0 109.441 179.075 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -73.73 136.37 43.68 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.802 -177.379 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? 76.18 -13.49 0.9 Allowed 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 114.827 -1.079 . . . . 0.0 110.964 -178.772 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 25.3 mmt -69.14 -36.8 77.84 Favored 'General case' 0 CA--C 1.513 -0.447 0 N-CA-C 107.821 -1.178 . . . . 0.0 107.821 167.417 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.427 ' HA3' ' HG ' ' A' ' 62' ' ' SER . . . . . . . . 0 C--O 1.249 1.085 0 CA-C-N 114.242 -1.345 . . . . 0.0 110.65 171.943 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 77.4 t80 . . . . . 0 N--CA 1.481 1.12 0 CA-C-O 120.399 0.142 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.1 pp -66.77 140.77 57.87 Favored 'General case' 0 C--O 1.236 0.36 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 179.356 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -81.06 118.33 71.91 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.581 -178.972 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.469 ' C ' ' H ' ' A' ' 6' ' ' SER . 24.3 Cg_exo -63.43 138.47 65.71 Favored 'Trans proline' 0 N--CA 1.464 -0.261 0 C-N-CA 122.988 2.459 . . . . 0.0 111.701 178.938 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -72.58 23.24 0.28 Allowed 'Trans proline' 0 N--CA 1.475 0.385 0 C-N-CA 123.15 2.566 . . . . 0.0 113.575 -176.78 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.469 ' H ' ' C ' ' A' ' 4' ' ' PRO . 57.1 m -154.14 20.73 0.5 Allowed 'General case' 0 C--N 1.306 -1.307 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.526 179.672 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 27.3 m -142.96 78.33 1.6 Allowed 'General case' 0 N--CA 1.447 -0.59 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 178.794 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.408 ' HB1' ' HB2' ' A' ' 32' ' ' GLN . . . -78.82 86.45 4.74 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.64 -177.574 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 22.2 t -149.12 75.9 1.31 Allowed 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.315 -0.857 . . . . 0.0 108.982 174.027 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.417 ' SG ' ' NE2' ' A' ' 12' ' ' GLN . 0.9 OUTLIER -83.52 123.29 29.59 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 114.659 -1.155 . . . . 0.0 109.684 -178.571 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.1 p -76.56 -15.16 59.93 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.066 -0.515 . . . . 0.0 112.113 -175.636 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.417 ' NE2' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -143.04 165.32 27.69 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.926 0.393 . . . . 0.0 110.923 -178.083 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.461 HD13 ' HB3' ' A' ' 55' ' ' HIS . 87.3 mt -129.79 144.96 51.56 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.523 -178.095 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.443 ' O ' ' HB3' ' A' ' 15' ' ' ARG . 19.4 t80 -71.79 -37.38 70.42 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.894 -0.322 . . . . 0.0 110.732 -176.84 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.443 ' HB3' ' O ' ' A' ' 14' ' ' TYR . 43.6 ttt180 74.82 -42.38 0.49 Allowed 'General case' 0 N--CA 1.468 0.47 0 O-C-N 123.729 0.643 . . . . 0.0 112.209 173.193 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -69.74 152.46 96.12 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 122.416 -0.178 . . . . 0.0 110.543 176.302 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -68.01 144.14 62.84 Favored 'Trans proline' 0 N--CA 1.461 -0.427 0 C-N-CA 122.084 1.856 . . . . 0.0 110.658 170.385 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.87 ' HB3' HD13 ' A' ' 22' ' ' LEU . 60.0 mt -87.55 142.09 28.11 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.897 0.379 . . . . 0.0 111.479 -174.559 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.516 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 49.6 m -66.1 145.01 56.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.393 -179.372 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -62.56 -34.74 77.56 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.822 -175.773 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -62.6 -45.66 91.87 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.969 -177.269 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.87 HD13 ' HB3' ' A' ' 18' ' ' LEU . 4.7 pp -74.03 -27.78 61.11 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 121.003 -0.279 . . . . 0.0 110.767 177.88 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' A' ' 19' ' ' SER . 66.1 mt -62.97 -45.49 92.17 Favored 'General case' 0 C--O 1.224 -0.248 0 CA-C-O 120.472 0.177 . . . . 0.0 111.292 179.938 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.565 ' HB3' ' HD3' ' A' ' 71' ' ' LYS . 16.4 ptp180 -67.49 4.96 0.87 Allowed 'General case' 0 CA--C 1.536 0.435 0 CA-C-O 120.804 0.335 . . . . 0.0 111.726 179.614 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.419 ' H ' ' C ' ' A' ' 23' ' ' LEU . 53.5 mtmt -118.92 11.68 12.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.032 176.282 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 37.8 t -79.04 144.19 11.4 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 CA-C-N 116.323 -0.399 . . . . 0.0 109.986 177.222 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 25.3 pt -110.48 -35.2 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 C-N-CA 120.508 -0.477 . . . . 0.0 112.277 -177.023 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.809 HE21 ' HA ' ' A' ' 28' ' ' GLN . 0.0 OUTLIER -145.86 157.64 43.9 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.952 0.406 . . . . 0.0 111.585 -177.194 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.554 ' HB ' ' HG3' ' A' ' 77' ' ' PRO . 45.3 t -120.35 121.59 66.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 173.501 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -114.97 157.12 23.85 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.631 0.253 . . . . 0.0 111.289 -171.353 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.494 HD11 ' CE2' ' A' ' 43' ' ' PHE . 48.6 tp -119.56 116.19 25.54 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 121.28 0.562 . . . . 0.0 111.038 179.381 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.408 ' HB2' ' HB1' ' A' ' 8' ' ' ALA . 44.5 tt0 -94.54 116.39 28.72 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.028 -0.987 . . . . 0.0 109.223 173.094 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -79.87 154.62 28.25 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.878 0.371 . . . . 0.0 111.593 -174.516 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.689 ' HB3' ' HB2' ' A' ' 41' ' ' GLN . . . -82.89 12.37 4.96 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.885 -0.598 . . . . 0.0 112.053 -174.556 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -170.77 12.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.105 0.478 . . . . 0.0 110.272 179.218 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -93.16 -90.95 1.55 Allowed Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.662 -0.78 . . . . 0.0 111.603 -179.07 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -96.97 7.19 47.19 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.134 0.493 . . . . 0.0 110.415 179.68 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.9 t -164.01 177.41 8.51 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.838 179.325 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 70.0 t60 -88.27 -41.61 12.8 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -177.211 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.534 ' H ' HD13 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -102.19 154.25 19.19 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.467 -0.493 . . . . 0.0 110.881 -179.169 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.689 ' HB2' ' HB3' ' A' ' 34' ' ' ALA . 36.7 tt0 -93.69 130.28 39.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.15 -177.444 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.447 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -147.1 127.9 14.36 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.14 0.495 . . . . 0.0 111.534 -177.206 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.559 ' HB3' ' HG ' ' A' ' 61' ' ' LEU . 0.7 OUTLIER -88.96 109.82 20.58 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 170.197 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.0 t -97.02 126.24 49.83 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.205 -170.206 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.812 HD12 HD11 ' A' ' 18' ' ' LEU . 29.6 mt -92.71 108.33 19.9 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.859 0.838 . . . . 0.0 109.419 175.911 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -95.91 111.76 23.67 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.441 -170.36 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.414 ' HB2' ' O ' ' A' ' 50' ' ' ARG . 6.2 mp -94.61 157.43 15.98 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 172.303 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.55 -12.71 55.42 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.834 0.35 . . . . 0.0 111.586 -177.992 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -106.46 -37.24 6.55 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.277 -175.168 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.414 ' O ' ' HB2' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -160.63 154.37 22.48 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.342 177.608 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 6.9 m -98.89 134.99 40.97 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.479 178.222 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.614 HG21 HD21 ' A' ' 18' ' ' LEU . 53.9 mt -112.98 128.96 69.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 177.532 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 56.9 m -102.25 126.21 49.18 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.698 0.761 . . . . 0.0 111.349 -172.415 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -124.28 146.75 29.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 114.919 -1.037 . . . . 0.0 109.839 -177.73 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.461 ' HB3' HD13 ' A' ' 13' ' ' LEU . 3.5 p80 -83.81 138.88 40.34 Favored Pre-proline 0 C--N 1.327 -0.412 0 C-N-CA 119.795 -0.762 . . . . 0.0 109.301 173.204 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 70.9 Cg_exo -50.54 -24.21 12.14 Favored 'Trans proline' 0 N--CA 1.48 0.716 0 C-N-CA 123.678 2.918 . . . . 0.0 114.237 -174.082 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.432 ' HB2' ' CE1' ' A' ' 55' ' ' HIS . 23.2 mp0 -80.8 7.77 9.67 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.257 -178.028 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.452 ' HA ' ' HD2' ' A' ' 59' ' ' PRO . 47.5 t-20 -90.62 121.34 68.4 Favored Pre-proline 0 C--N 1.329 -0.288 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 176.452 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.452 ' HD2' ' HA ' ' A' ' 58' ' ' ASN . 3.5 Cg_endo -48.47 -35.05 27.56 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 123.853 3.035 . . . . 0.0 113.156 178.763 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.2 m -60.0 -31.67 70.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.229 -0.441 . . . . 0.0 112.054 -173.768 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.559 ' HG ' ' HB3' ' A' ' 43' ' ' PHE . 0.8 OUTLIER -69.28 -44.16 72.39 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-O 120.663 0.268 . . . . 0.0 110.402 -178.165 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.437 ' HA ' ' CD2' ' A' ' 65' ' ' PHE . 41.2 t -70.7 -49.36 47.89 Favored 'General case' 0 C--O 1.24 0.6 0 CA-C-O 121.352 0.596 . . . . 0.0 110.869 -178.001 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -60.45 -27.3 67.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.246 177.564 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.484 ' CE2' ' HB3' ' A' ' 68' ' ' GLN . 22.8 t-105 -65.44 -36.65 84.56 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.868 176.282 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.767 ' HA ' HE21 ' A' ' 68' ' ' GLN . 26.3 m-85 -53.37 -46.91 69.8 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.078 0.466 . . . . 0.0 109.97 176.204 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.481 ' O ' ' HB3' ' A' ' 69' ' ' GLU . 41.5 mt-10 -65.81 -45.98 80.31 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 121.897 0.856 . . . . 0.0 110.935 178.385 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.591 ' O ' ' HG3' ' A' ' 71' ' ' LYS . 35.9 m80 -76.69 -24.71 53.17 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.732 -0.667 . . . . 0.0 112.418 -170.881 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.767 HE21 ' HA ' ' A' ' 65' ' ' PHE . 29.8 pt20 -79.63 -18.61 51.13 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.293 -0.563 . . . . 0.0 110.035 175.527 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.481 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 12.3 tp10 -65.38 -27.85 68.86 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 170.876 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.3 ptp180 -108.94 1.69 20.89 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 112.273 0.472 . . . . 0.0 112.273 179.176 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.591 ' HG3' ' O ' ' A' ' 67' ' ' HIS . 71.6 mttt -119.3 -170.5 1.94 Allowed 'General case' 0 CA--C 1.515 -0.38 0 O-C-N 122.063 -0.398 . . . . 0.0 110.223 174.077 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.3 mt 56.88 -76.71 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.456 0 O-C-N 124.321 1.013 . . . . 0.0 111.927 177.578 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 21.3 t-80 -170.87 10.16 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 -175.28 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 78.12 40.37 20.68 Favored Glycine 0 N--CA 1.449 -0.491 0 N-CA-C 110.684 -0.967 . . . . 0.0 110.684 -169.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.5 p -113.63 132.89 55.59 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-O 120.692 0.282 . . . . 0.0 110.772 -175.383 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.669 HD13 ' C ' ' A' ' 76' ' ' LEU . 4.1 pp -164.62 153.0 10.86 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.459 -178.015 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.554 ' HG3' ' HB ' ' A' ' 29' ' ' VAL . 74.9 Cg_endo -77.53 112.94 3.43 Favored 'Trans proline' 0 N--CA 1.46 -0.5 0 C-N-CA 122.18 1.92 . . . . 0.0 112.052 178.554 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.544 ' HA ' ' OXT' ' A' ' 88' ' ' GLY . 94.3 mttt -83.27 94.94 8.02 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.073 -178.973 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.456 HD13 ' CE2' ' A' ' 81' ' ' PHE . 0.4 OUTLIER -149.52 21.3 0.93 Allowed 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.529 0.566 . . . . 0.0 112.529 -176.2 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.423 ' HA ' ' HB2' ' A' ' 84' ' ' LEU . 43.6 m-80 8.79 99.19 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.378 0 O-C-N 125.062 1.476 . . . . 0.0 114.893 174.2 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.622 ' H ' HD22 ' A' ' 84' ' ' LEU . 35.0 m-85 -106.58 20.09 19.51 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 122.341 -0.224 . . . . 0.0 111.574 177.665 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 95.35 -36.08 3.98 Favored Glycine 0 C--O 1.228 -0.28 0 C-N-CA 120.543 -0.836 . . . . 0.0 112.385 -179.483 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.601 ' HE2' ' HB2' ' A' ' 81' ' ' PHE . 0.0 OUTLIER -101.26 14.26 32.53 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.319 0.58 . . . . 0.0 110.544 178.042 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 1.015 HD13 ' HA3' ' A' ' 88' ' ' GLY . 1.4 mm? -84.21 6.15 23.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.775 -179.552 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 19.6 mmm180 58.11 26.31 13.5 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-O 121.617 0.722 . . . . 0.0 111.309 175.691 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 16.3 ttmm 48.31 21.92 0.4 Allowed 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 114.079 -1.419 . . . . 0.0 112.285 -176.848 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 24.0 ptp -116.24 -1.12 12.44 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 121.886 -0.509 . . . . 0.0 109.71 177.903 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 1.015 ' HA3' HD13 ' A' ' 84' ' ' LEU . . . . . . . . 0 C--O 1.256 1.486 0 CA-C-O 118.064 -1.409 . . . . 0.0 111.102 178.681 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 42.4 p90 . . . . . 0 N--CA 1.478 0.948 0 CA-C-O 121.17 0.509 . . . . 0.0 110.446 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.644 ' O ' ' HD3' ' A' ' 4' ' ' PRO . 9.4 tt -120.66 139.36 53.13 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 176.56 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.425 HD11 ' HA ' ' A' ' 3' ' ' LEU . 4.1 mm? -87.73 106.34 11.47 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-O 120.868 0.366 . . . . 0.0 110.64 -178.827 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.644 ' HD3' ' O ' ' A' ' 2' ' ' LEU . 19.4 Cg_exo -66.04 152.41 81.37 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 123.143 2.562 . . . . 0.0 112.111 179.914 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.704 ' HA ' ' HE1' ' A' ' 46' ' ' HIS . 51.2 Cg_exo -54.77 123.5 13.88 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.964 2.443 . . . . 0.0 112.523 -179.742 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.8 t 71.72 10.93 6.38 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.61 177.514 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 22.8 m -121.45 90.54 3.33 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 177.562 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -140.19 86.8 2.1 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-O 121.243 0.544 . . . . 0.0 111.956 -175.494 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.639 ' HA ' ' HB2' ' A' ' 38' ' ' CYS . 48.6 t -105.02 88.29 2.84 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 107.626 -1.249 . . . . 0.0 107.626 168.313 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.631 ' O ' HD23 ' A' ' 40' ' ' LEU . 59.8 m -69.37 118.37 12.17 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.84 -1.073 . . . . 0.0 112.023 -171.975 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 25.4 p -98.0 11.62 36.93 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.581 170.818 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -158.86 160.92 36.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.392 -179.073 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 77.1 mt -136.59 137.27 39.98 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 177.995 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.444 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 48.0 t80 -65.52 -43.79 88.95 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 -174.672 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.444 ' HB2' ' O ' ' A' ' 14' ' ' TYR . 73.8 mtt180 75.69 -26.9 0.19 Allowed 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 113.593 0.96 . . . . 0.0 113.593 174.203 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -101.29 165.59 13.85 Favored Pre-proline 0 C--N 1.321 -0.643 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -172.15 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.471 ' HA ' ' HB2' ' A' ' 60' ' ' SER . 13.0 Cg_exo -72.18 120.88 7.08 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 123.151 2.567 . . . . 0.0 111.703 172.653 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.627 HD22 HG23 ' A' ' 52' ' ' ILE . 6.0 mp -75.49 156.75 34.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.7 0.286 . . . . 0.0 110.245 179.554 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.645 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 20.8 m -64.68 129.86 41.41 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.825 179.742 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.542 ' OD1' ' HE3' ' A' ' 71' ' ' LYS . 21.0 t70 -61.27 -28.34 69.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.181 0.515 . . . . 0.0 110.748 -178.07 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.422 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 93.0 mttt -57.5 -47.53 81.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.866 177.615 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.645 ' HG ' ' O ' ' A' ' 19' ' ' SER . 4.5 pp -75.83 -27.5 57.9 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.994 -0.282 . . . . 0.0 110.583 177.069 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.653 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 61.5 mt -60.78 -47.29 86.98 Favored 'General case' 0 C--O 1.226 -0.176 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.202 -179.156 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.422 ' HG2' ' O ' ' A' ' 21' ' ' LYS . 37.5 ptt180 -62.9 -1.9 1.04 Allowed 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -179.544 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.402 ' HE2' ' HA ' ' A' ' 22' ' ' LEU . 48.3 mtmt -110.18 0.35 18.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.694 0.283 . . . . 0.0 111.034 178.537 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.545 ' O ' ' HG ' ' A' ' 72' ' ' LEU . 48.7 t -75.79 107.21 6.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 177.788 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 18.9 pt -67.55 -36.42 76.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.996 -174.471 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 39.4 mm-40 -155.63 158.64 38.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.124 0.488 . . . . 0.0 111.645 -177.021 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.439 HG11 HE22 ' A' ' 68' ' ' GLN . 30.0 m -106.96 151.25 8.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.463 172.796 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.546 ' CG ' ' HB ' ' A' ' 44' ' ' VAL . 15.1 pt-20 -134.43 135.54 42.62 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.278 0.561 . . . . 0.0 110.647 179.728 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 38.1 tp -96.17 111.03 23.2 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.952 177.66 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.481 ' NE2' ' HB3' ' A' ' 38' ' ' CYS . 0.1 OUTLIER -83.78 106.88 15.82 Favored 'General case' 0 N--CA 1.444 -0.749 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 176.962 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.465 ' C ' ' H ' ' A' ' 35' ' ' ASP . 31.8 mt-10 -64.89 154.01 38.6 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.868 -175.166 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.639 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . . . -76.71 22.29 0.18 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.848 0.356 . . . . 0.0 111.815 -173.878 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.465 ' H ' ' C ' ' A' ' 33' ' ' GLU . 4.9 p-10 179.69 -2.09 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.766 -177.095 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.424 ' HA3' ' HB2' ' A' ' 33' ' ' GLU . . . -80.69 -3.68 90.28 Favored Glycine 0 C--N 1.331 0.265 0 C-N-CA 121.11 -0.567 . . . . 0.0 112.838 -175.84 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -171.3 -43.4 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.394 0.616 . . . . 0.0 109.439 178.32 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.639 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 11.2 t -127.44 160.38 31.62 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.33 -0.85 . . . . 0.0 108.815 177.682 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -74.59 4.96 5.3 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 113.247 0.832 . . . . 0.0 113.247 -173.566 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.631 HD23 ' O ' ' A' ' 10' ' ' CYS . 3.2 pp -131.33 153.76 49.27 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 120.737 -0.385 . . . . 0.0 111.093 -179.507 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.639 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 9.0 tt0 -90.49 134.34 34.43 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.848 178.947 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.451 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -146.33 151.13 37.01 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.091 0.472 . . . . 0.0 111.308 -178.76 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.571 ' O ' ' HB ' ' A' ' 54' ' ' ILE . 3.0 m-85 -107.27 100.93 10.35 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 172.68 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.546 ' HB ' ' CG ' ' A' ' 30' ' ' GLU . 39.3 t -95.69 132.01 40.96 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.998 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.388 -172.833 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.424 HD22 ' CD2' ' A' ' 61' ' ' LEU . 51.4 mt -93.02 117.07 29.66 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.2 0.524 . . . . 0.0 109.663 -179.944 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.704 ' HE1' ' HA ' ' A' ' 5' ' ' PRO . 14.0 t60 -102.41 108.14 19.37 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.486 -167.416 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.42 ' HG ' ' HA ' ' A' ' 26' ' ' VAL . 6.1 mp -98.35 169.98 9.18 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 173.131 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.409 ' HB1' ' OE1' ' A' ' 49' ' ' GLN . . . -78.78 0.7 25.87 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.007 0.432 . . . . 0.0 111.377 -171.767 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.409 ' OE1' ' HB1' ' A' ' 48' ' ' ALA . 0.5 OUTLIER -131.38 -8.35 3.73 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.165 -177.793 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 12.6 ptp180 -171.44 166.59 6.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.792 0.329 . . . . 0.0 111.49 -169.672 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.9 m -138.6 124.23 19.66 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.776 178.371 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.627 HG23 HD22 ' A' ' 18' ' ' LEU . 4.5 mp -102.08 136.96 31.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 178.329 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 49.5 t -101.09 136.19 41.33 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.665 0.745 . . . . 0.0 111.072 -173.445 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.571 ' HB ' ' O ' ' A' ' 43' ' ' PHE . 1.2 mt -134.03 143.78 37.37 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.833 0 CA-C-N 114.938 -1.028 . . . . 0.0 111.346 -171.724 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.651 ' O ' ' HB2' ' A' ' 58' ' ' ASN . 26.6 t-80 -69.61 135.2 88.28 Favored Pre-proline 0 C--O 1.217 -0.617 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 173.573 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 82.4 Cg_exo -45.75 -46.35 15.38 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.172 1.915 . . . . 0.0 112.224 178.619 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.596 HE22 ' HA3' ' A' ' 88' ' ' GLY . 28.2 mm-40 -86.94 83.05 7.59 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 168.307 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.651 ' HB2' ' O ' ' A' ' 55' ' ' HIS . 6.7 t30 -132.36 133.58 23.88 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.225 179.351 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -55.2 -28.18 60.29 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 123.249 2.633 . . . . 0.0 113.05 -178.792 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.471 ' HB2' ' HA ' ' A' ' 17' ' ' PRO . 4.2 t -77.59 -33.9 53.71 Favored 'General case' 0 C--O 1.222 -0.384 0 C-N-CA 120.63 -0.428 . . . . 0.0 111.149 179.775 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.507 HD22 HG23 ' A' ' 54' ' ' ILE . 0.3 OUTLIER -77.21 -48.52 17.35 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.436 0.16 . . . . 0.0 111.285 -168.066 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.0 t -59.81 -50.04 75.34 Favored 'General case' 0 C--O 1.242 0.675 0 CA-C-O 121.318 0.58 . . . . 0.0 110.02 -179.254 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -61.19 -31.49 71.25 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.423 175.624 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.653 ' CZ3' ' HB3' ' A' ' 23' ' ' LEU . 7.3 t-105 -66.16 -36.38 82.95 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 120.871 -0.331 . . . . 0.0 110.565 -178.119 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.777 ' HE2' ' HB2' ' A' ' 81' ' ' PHE . 2.7 m-85 -58.47 -39.44 79.98 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.694 175.745 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.487 ' O ' ' HB3' ' A' ' 69' ' ' GLU . 21.4 mm-40 -75.56 -39.26 58.46 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.251 0.548 . . . . 0.0 111.231 177.27 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -68.28 -41.6 80.77 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.232 -179.609 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.469 ' HB2' HD22 ' A' ' 72' ' ' LEU . 3.2 pt20 -68.63 -25.02 64.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.962 0.411 . . . . 0.0 110.163 179.027 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.487 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 21.7 tp10 -59.16 -32.65 70.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.595 175.039 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.6 ptp180 -113.54 19.76 16.58 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.675 -177.849 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.542 ' HE3' ' OD1' ' A' ' 20' ' ' ASP . 42.9 mttm -141.61 -169.35 2.87 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 119.515 -0.278 . . . . 0.0 110.429 177.959 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.578 HD11 ' CH2' ' A' ' 64' ' ' TRP . 0.0 OUTLIER 16.16 60.81 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.246 0 N-CA-C 114.991 1.478 . . . . 0.0 114.991 -173.483 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 8.4 t-160 70.09 -13.58 0.42 Allowed 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 170.615 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 69.85 33.8 71.04 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 121.216 -0.516 . . . . 0.0 112.305 -178.109 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.9 p -109.81 122.26 47.1 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.784 0.326 . . . . 0.0 111.49 -177.351 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 45.2 mt -140.65 155.23 69.59 Favored Pre-proline 0 N--CA 1.441 -0.912 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 -178.7 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_exo -46.12 143.26 7.66 Favored 'Trans proline' 0 C--N 1.327 -0.575 0 C-N-CA 123.664 2.909 . . . . 0.0 113.29 170.115 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -83.18 89.84 7.01 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.99 0.424 . . . . 0.0 110.346 176.11 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.1 pp -142.84 29.27 1.53 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.509 -178.629 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 50.1 70.56 0.49 Allowed 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 122.653 1.215 . . . . 0.0 110.26 -179.808 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.777 ' HB2' ' HE2' ' A' ' 65' ' ' PHE . 5.2 p90 -85.85 13.59 7.16 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 114.176 -1.375 . . . . 0.0 111.75 -171.425 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.43 ' HA2' ' HG2' ' A' ' 85' ' ' ARG . . . -79.37 -5.7 89.12 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.927 -0.654 . . . . 0.0 111.512 174.732 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.43 ' HG3' ' HG ' ' A' ' 84' ' ' LEU . 26.0 ptt? -73.96 -7.97 54.38 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -179.041 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.43 ' HG ' ' HG3' ' A' ' 83' ' ' MET . 54.1 mt -123.36 24.0 8.84 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.916 0.388 . . . . 0.0 111.318 -176.468 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.477 ' HD2' ' OE2' ' A' ' 66' ' ' GLU . 11.8 mmt180 -86.31 73.75 10.12 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.879 0.371 . . . . 0.0 110.771 -178.335 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 34.5 ttmt 68.5 18.24 8.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.363 -179.125 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -73.27 -9.35 58.62 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.521 0.677 . . . . 0.0 109.407 168.943 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.596 ' HA3' HE22 ' A' ' 57' ' ' GLN . . . . . . . . 0 N--CA 1.442 -0.924 0 N-CA-C 110.379 -1.088 . . . . 0.0 110.379 176.016 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 37.7 t80 . . . . . 0 N--CA 1.479 1.021 0 CA-C-O 121.2 0.524 . . . . 0.0 110.521 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 9.3 tt -80.32 114.47 19.25 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 173.805 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.538 ' HB2' ' HB2' ' A' ' 51' ' ' SER . 3.9 mm? -65.74 114.44 16.13 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 116.539 -0.301 . . . . 0.0 110.314 176.531 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.799 ' HB2' ' HB ' ' A' ' 7' ' ' THR . 27.8 Cg_exo -62.2 143.63 94.58 Favored 'Trans proline' 0 N--CA 1.463 -0.284 0 C-N-CA 122.766 2.311 . . . . 0.0 111.5 179.517 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -55.19 115.11 2.21 Favored 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 123.137 2.558 . . . . 0.0 112.81 -176.781 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.7 m 67.87 19.75 9.44 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.912 179.743 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.799 ' HB ' ' HB2' ' A' ' 4' ' ' PRO . 5.6 m -126.32 40.26 3.77 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 122.106 0.955 . . . . 0.0 108.833 177.193 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.403 ' HA ' HD13 ' A' ' 3' ' ' LEU . . . -82.85 92.91 7.37 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 114.851 -1.068 . . . . 0.0 111.074 -176.034 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 80.5 m -116.56 82.03 1.72 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.351 173.695 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 62.0 m -65.17 120.17 12.21 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.625 -0.716 . . . . 0.0 112.602 -176.61 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.2 p -108.35 6.6 26.57 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.922 168.117 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -145.8 152.95 40.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.041 -0.981 . . . . 0.0 110.288 -179.501 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 60.3 mt -132.45 132.85 43.16 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 179.779 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -63.48 -40.8 98.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.383 -174.158 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 11.1 mmm180 70.95 -53.16 0.68 Allowed 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.594 0.758 . . . . 0.0 112.438 178.754 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -62.23 139.04 96.22 Favored Pre-proline 0 C--N 1.327 -0.38 0 O-C-N 123.216 0.322 . . . . 0.0 111.391 -178.76 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -61.31 126.58 19.67 Favored 'Trans proline' 0 C--O 1.237 0.435 0 C-N-CA 122.98 2.453 . . . . 0.0 112.012 177.27 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.607 HD13 HD13 ' A' ' 45' ' ' LEU . 62.0 mt -73.82 153.02 40.11 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.818 -179.736 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.609 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 17.9 m -82.06 140.47 33.86 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.834 -179.691 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.54 ' HA ' HD12 ' A' ' 23' ' ' LEU . 9.0 t0 -63.71 -29.07 70.34 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.597 -177.545 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.574 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 65.2 mttm -61.09 -45.43 94.76 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.238 179.707 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.609 ' HG ' ' O ' ' A' ' 19' ' ' SER . 4.6 pp -73.84 -25.17 59.94 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.175 177.144 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.54 HD12 ' HA ' ' A' ' 20' ' ' ASP . 67.7 mt -61.0 -36.6 79.9 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.511 179.667 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.705 ' HB3' ' HD3' ' A' ' 71' ' ' LYS . 12.6 ptm180 -65.03 -4.56 4.82 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-O 121.293 0.568 . . . . 0.0 111.459 177.705 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.508 ' HD3' ' HA ' ' A' ' 22' ' ' LEU . 51.0 mtpt -108.69 1.22 21.03 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.527 -176.645 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.556 HG21 ' HG ' ' A' ' 47' ' ' LEU . 52.6 t -79.57 143.84 11.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 174.514 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.542 HD11 ' HD2' ' A' ' 46' ' ' HIS . 5.0 pt -104.47 -37.63 4.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 C-N-CA 120.155 -0.618 . . . . 0.0 111.694 -178.588 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -154.88 157.84 38.43 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-O 120.691 0.282 . . . . 0.0 111.027 178.837 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.476 HG11 HD21 ' A' ' 45' ' ' LEU . 20.5 t -100.7 126.59 54.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 174.55 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.429 ' HG3' ' HB ' ' A' ' 44' ' ' VAL . 15.1 pt-20 -117.5 126.09 52.0 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.604 0.716 . . . . 0.0 111.263 -176.524 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 41.5 tp -90.05 117.65 29.0 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.848 179.404 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.427 ' HB3' ' HB1' ' A' ' 42' ' ' ALA . 50.7 tt0 -78.64 107.27 11.2 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 173.229 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -64.66 148.48 50.89 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.95 179.264 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.631 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . . . -80.72 25.21 0.44 Allowed 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -170.921 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 31.5 t70 178.32 -37.84 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.737 -0.211 . . . . 0.0 110.756 -175.508 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -48.98 -43.87 31.68 Favored Glycine 0 C--N 1.336 0.539 0 O-C-N 123.832 0.708 . . . . 0.0 113.558 -176.901 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -108.42 -63.11 1.37 Allowed 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 175.543 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 66.3 m -135.65 146.53 47.92 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.42 -0.809 . . . . 0.0 108.972 171.608 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -72.72 82.73 1.15 Allowed 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -173.876 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.2 tt -172.79 123.77 0.44 Allowed 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 174.19 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.631 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 24.6 tt0 -86.16 116.76 24.56 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.906 0.384 . . . . 0.0 110.663 -177.813 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.529 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -137.91 155.32 49.04 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.032 -178.097 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.626 ' HB3' ' HG ' ' A' ' 61' ' ' LEU . 0.5 OUTLIER -116.26 107.42 14.83 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 176.003 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.429 ' HB ' ' HG3' ' A' ' 30' ' ' GLU . 60.6 t -110.23 139.0 35.54 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.142 -170.523 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.607 HD13 HD13 ' A' ' 18' ' ' LEU . 75.3 mt -99.79 114.75 28.11 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.966 179.325 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.542 ' HD2' HD11 ' A' ' 27' ' ' ILE . 5.9 t60 -88.41 102.62 15.06 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.146 -176.168 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.559 ' HB2' ' O ' ' A' ' 50' ' ' ARG . 6.1 mp -89.83 164.09 14.77 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 172.61 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.37 -13.55 61.5 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.232 0.539 . . . . 0.0 110.858 -175.042 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -101.48 -36.18 8.91 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.081 -177.941 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.559 ' O ' ' HB2' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -174.9 161.96 3.09 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.58 179.072 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.538 ' HB2' ' HB2' ' A' ' 3' ' ' LEU . 50.0 m -99.75 140.47 33.9 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 120.967 0.413 . . . . 0.0 110.767 177.361 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.471 HG23 HD22 ' A' ' 18' ' ' LEU . 61.5 mt -105.97 135.57 43.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 176.457 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 47.5 t -101.12 124.91 47.57 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.366 0.603 . . . . 0.0 111.03 -172.059 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.407 ' HB ' HD21 ' A' ' 61' ' ' LEU . 31.2 mt -125.88 145.84 32.65 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.574 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.789 -176.346 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 45.3 t-80 -68.46 131.12 91.77 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.085 174.613 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.529 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 77.6 Cg_exo -52.12 140.49 50.48 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.907 2.405 . . . . 0.0 112.017 177.103 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.401 ' HB2' ' O ' ' A' ' 56' ' ' PRO . 52.8 mt-30 69.5 45.65 0.8 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.61 0.719 . . . . 0.0 110.575 -178.286 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -107.88 140.09 21.28 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 114.948 -1.024 . . . . 0.0 109.039 173.474 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -42.87 -47.36 8.2 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 123.453 2.769 . . . . 0.0 113.566 179.847 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 49.2 m -70.4 -34.82 73.0 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 111.804 0.298 . . . . 0.0 111.804 -176.208 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.626 ' HG ' ' HB3' ' A' ' 43' ' ' PHE . 0.2 OUTLIER -70.84 -47.68 58.03 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 -178.377 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 39.8 t -65.9 -47.24 75.44 Favored 'General case' 0 C--O 1.241 0.651 0 CA-C-O 121.004 0.43 . . . . 0.0 110.72 179.785 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -60.62 -28.97 68.94 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.771 -179.288 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.517 ' CZ3' ' HB3' ' A' ' 23' ' ' LEU . 27.6 t-105 -68.33 -38.41 81.49 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.138 179.932 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.688 ' HE2' ' HD2' ' A' ' 81' ' ' PHE . 52.0 m-85 -53.2 -40.23 64.3 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.425 -0.51 . . . . 0.0 110.038 175.634 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -79.43 -41.92 26.55 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.043 -179.337 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 23.7 m170 -65.68 -39.76 91.62 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.821 179.72 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.489 ' HB2' ' CE2' ' A' ' 64' ' ' TRP . 17.0 tt0 -62.86 -34.52 77.54 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.524 177.698 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.911 ' HA ' ' HG ' ' A' ' 76' ' ' LEU . 42.1 tt0 -61.45 -28.08 69.02 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.67 178.194 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 14.4 ptt180 -113.99 24.35 12.12 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.726 179.063 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.705 ' HD3' ' HB3' ' A' ' 24' ' ' ARG . 24.6 ttmt -144.17 -150.1 0.3 Allowed 'General case' 0 C--O 1.236 0.371 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.362 -177.987 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.493 HD23 ' CZ2' ' A' ' 64' ' ' TRP . 8.5 mt 54.21 -118.55 1.33 Allowed 'General case' 0 C--N 1.345 0.383 0 C-N-CA 123.278 0.631 . . . . 0.0 111.744 -178.103 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -135.78 25.52 3.36 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 -178.408 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 78.05 8.37 87.4 Favored Glycine 0 N--CA 1.449 -0.47 0 N-CA-C 111.041 -0.823 . . . . 0.0 111.041 -173.801 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.2 p -94.22 87.04 5.11 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-O 121.475 0.655 . . . . 0.0 111.497 -178.697 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.911 ' HG ' ' HA ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -156.47 144.27 14.11 Favored Pre-proline 0 C--N 1.319 -0.752 0 CA-C-N 115.338 -0.847 . . . . 0.0 109.506 179.225 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.833 ' HB2' ' HG ' ' A' ' 79' ' ' LEU . 80.0 Cg_endo -77.88 123.96 6.56 Favored 'Trans proline' 0 N--CA 1.46 -0.457 0 C-N-CA 122.614 2.209 . . . . 0.0 112.007 177.429 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -87.62 46.13 1.35 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.819 0.819 . . . . 0.0 110.241 -177.775 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.833 ' HG ' ' HB2' ' A' ' 77' ' ' PRO . 0.4 OUTLIER -108.77 -169.16 1.44 Allowed 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.697 -1.138 . . . . 0.0 111.137 -175.873 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 47.4 m-80 -120.35 104.6 10.16 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.971 174.426 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.688 ' HD2' ' HE2' ' A' ' 65' ' ' PHE . 5.5 m-85 -81.21 12.83 3.19 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.299 0.571 . . . . 0.0 110.191 173.851 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.465 ' O ' ' HE3' ' A' ' 87' ' ' MET . . . 107.15 -95.38 0.99 Allowed Glycine 0 N--CA 1.441 -1.031 0 CA-C-N 115.536 -0.756 . . . . 0.0 113.805 168.356 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.42 ' HG2' ' CD1' ' A' ' 84' ' ' LEU . 0.0 OUTLIER -81.56 11.85 4.29 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 -162.933 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.752 HD23 ' HG2' ' A' ' 85' ' ' ARG . 0.0 OUTLIER -136.13 -16.13 1.68 Allowed 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 113.458 0.91 . . . . 0.0 113.458 -175.574 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.752 ' HG2' HD23 ' A' ' 84' ' ' LEU . 25.8 mmm180 -105.78 99.14 8.75 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 121.831 -0.543 . . . . 0.0 110.995 -175.636 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 23.0 tptm 70.67 -32.91 0.25 Allowed 'General case' 0 N--CA 1.47 0.573 0 O-C-N 123.893 0.745 . . . . 0.0 112.038 176.375 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.498 ' H ' ' C ' ' A' ' 85' ' ' ARG . 41.4 mtm -90.6 5.78 46.51 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.403 0.62 . . . . 0.0 110.524 178.636 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.128 0 CA-C-O 118.435 -1.203 . . . . 0.0 110.936 176.844 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.612 ' HD1' HD22 ' A' ' 3' ' ' LEU . 22.4 t80 . . . . . 0 N--CA 1.481 1.091 0 CA-C-O 120.82 0.343 . . . . 0.0 110.276 . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.549 HD11 ' HA ' ' A' ' 50' ' ' ARG . 13.3 tp -76.77 109.8 10.85 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.613 172.706 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.612 HD22 ' HD1' ' A' ' 1' ' ' PHE . 4.4 mm? -66.87 112.43 9.66 Favored Pre-proline 0 C--N 1.325 -0.472 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 173.831 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.668 ' HB2' ' HB ' ' A' ' 7' ' ' THR . 45.9 Cg_exo -56.52 130.02 37.82 Favored 'Trans proline' 0 C--O 1.235 0.346 0 C-N-CA 123.058 2.505 . . . . 0.0 112.615 -178.51 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -60.08 130.3 33.87 Favored 'Trans proline' 0 C--O 1.234 0.292 0 C-N-CA 122.978 2.452 . . . . 0.0 112.245 -178.7 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.1 t 70.6 11.53 7.28 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.079 179.778 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.668 ' HB ' ' HB2' ' A' ' 4' ' ' PRO . 45.1 m -125.25 81.03 1.93 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.367 0.603 . . . . 0.0 109.404 174.891 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -119.67 87.83 2.82 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-O 121.467 0.651 . . . . 0.0 112.029 -174.35 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.3 t -131.7 49.8 2.29 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 106.706 -1.59 . . . . 0.0 106.706 166.87 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 43.5 t -53.77 137.1 38.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 113.336 -1.756 . . . . 0.0 112.495 -172.647 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.8 t -130.87 15.64 5.26 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.808 178.113 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -141.61 95.21 2.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.729 0.776 . . . . 0.0 111.005 176.753 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.548 HD22 ' SG ' ' A' ' 53' ' ' CYS . 50.6 mt -83.05 135.51 34.82 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.373 -0.83 . . . . 0.0 111.019 -176.448 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.403 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 10.1 t80 -62.8 -46.7 86.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.972 -176.512 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.403 ' HB2' ' O ' ' A' ' 14' ' ' TYR . 99.9 mtt180 75.08 -44.28 0.53 Allowed 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.667 0.787 . . . . 0.0 112.485 177.763 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -63.65 129.92 94.04 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 120.591 0.234 . . . . 0.0 111.142 -178.527 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -59.89 116.98 3.68 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.95 2.434 . . . . 0.0 111.958 177.23 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.778 ' HB3' HD12 ' A' ' 22' ' ' LEU . 82.0 mt -71.13 138.53 49.74 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.074 -177.101 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.606 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 5.1 m -74.08 140.62 45.44 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.857 -178.374 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.476 ' HA ' HD13 ' A' ' 23' ' ' LEU . 9.9 t70 -55.53 -34.58 64.8 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 121.057 0.456 . . . . 0.0 111.131 -178.643 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.418 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 66.5 mttm -56.91 -46.68 81.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.337 179.281 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.778 HD12 ' HB3' ' A' ' 18' ' ' LEU . 4.3 pp -76.37 -26.85 56.08 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.794 176.605 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.503 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 76.6 mt -65.2 -36.75 85.17 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.725 -178.045 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.418 ' HB3' ' HD3' ' A' ' 71' ' ' LYS . 15.2 ptm180 -67.54 4.79 0.94 Allowed 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 121.217 0.532 . . . . 0.0 111.366 178.298 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.551 ' HD3' ' HA ' ' A' ' 22' ' ' LEU . 24.1 mtpp -109.01 0.18 19.85 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.057 178.91 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.85 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 25.1 t -84.74 150.55 3.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 177.625 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 18.0 pt -124.49 -24.1 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -178.54 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 22.7 mm-40 -152.34 154.09 34.95 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 120.753 0.311 . . . . 0.0 111.462 -177.935 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.445 HG11 HE22 ' A' ' 68' ' ' GLN . 13.7 m -98.68 126.07 51.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.298 0.57 . . . . 0.0 109.863 169.581 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.945 ' HB2' ' HB ' ' A' ' 44' ' ' VAL . 3.2 mm-40 -95.7 110.8 22.88 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 -179.811 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 32.1 tp -90.1 105.36 17.76 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 120.136 -0.626 . . . . 0.0 110.81 -179.823 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.418 ' HB3' ' HB2' ' A' ' 42' ' ' ALA . 46.5 tt0 -82.14 104.27 12.36 Favored 'General case' 0 N--CA 1.442 -0.859 0 CA-C-N 115.232 -0.894 . . . . 0.0 108.634 172.522 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -73.52 154.78 39.73 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.175 -176.757 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.635 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . . . -83.1 1.98 37.57 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.978 -179.294 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -156.29 -28.11 0.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.589 179.728 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -63.81 -13.57 52.37 Favored Glycine 0 CA--C 1.524 0.602 0 CA-C-N 116.255 -0.43 . . . . 0.0 114.006 -176.749 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -159.33 -62.33 0.07 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.366 0.603 . . . . 0.0 109.6 177.137 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 52.7 t -99.44 167.26 10.73 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.378 -0.828 . . . . 0.0 108.789 176.449 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.2 p-80 -96.19 8.94 42.54 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.152 0.501 . . . . 0.0 111.103 178.543 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.3 tt -125.94 134.7 51.45 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 178.474 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.635 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 29.8 tt0 -90.09 135.01 33.92 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 110.264 -0.273 . . . . 0.0 110.264 -177.243 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.549 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -150.65 157.64 43.22 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.953 0.406 . . . . 0.0 111.135 179.202 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.621 ' HB3' ' HG ' ' A' ' 61' ' ' LEU . 7.0 m-85 -118.34 102.44 8.95 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.372 0.606 . . . . 0.0 109.602 175.42 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.945 ' HB ' ' HB2' ' A' ' 30' ' ' GLU . 68.7 t -94.91 140.63 16.41 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.99 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.983 -176.316 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.613 HD13 HD11 ' A' ' 18' ' ' LEU . 23.0 mt -103.1 117.38 34.42 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.138 0.494 . . . . 0.0 110.78 178.603 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.435 ' HB2' ' CD ' ' A' ' 30' ' ' GLU . 3.4 t-160 -93.48 95.56 9.34 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.068 -176.871 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.85 ' HA ' ' HA ' ' A' ' 26' ' ' VAL . 6.0 mp -80.64 157.83 25.85 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 174.042 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.54 17.33 0.11 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.965 0.412 . . . . 0.0 111.47 -178.234 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.508 ' H ' ' C ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -138.54 -39.4 0.52 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.945 -176.872 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.549 ' HA ' HD11 ' A' ' 2' ' ' LEU . 0.0 OUTLIER -164.31 160.95 21.52 Favored 'General case' 0 C--O 1.225 -0.205 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.382 178.727 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.431 ' H ' HD12 ' A' ' 2' ' ' LEU . 19.7 m -112.61 135.76 52.97 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.784 0.326 . . . . 0.0 111.048 -177.382 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 48.4 mt -110.36 146.38 15.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.037 -178.958 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.548 ' SG ' HD22 ' A' ' 13' ' ' LEU . 45.6 t -102.22 124.75 48.36 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.94 0.4 . . . . 0.0 110.758 -176.687 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.453 HG21 HD21 ' A' ' 61' ' ' LEU . 0.3 OUTLIER -125.1 147.22 29.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.123 0.487 . . . . 0.0 111.181 -177.08 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.484 ' CD2' ' HD2' ' A' ' 56' ' ' PRO . 17.1 t-80 -68.26 133.0 91.46 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.642 176.004 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.549 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 86.3 Cg_exo -48.99 -46.76 23.99 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.651 2.234 . . . . 0.0 112.661 179.786 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.446 ' HB2' ' CE1' ' A' ' 55' ' ' HIS . 23.6 mp0 -83.32 78.32 9.65 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 174.118 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -143.32 132.8 11.73 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.108 179.242 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -59.97 -36.75 88.9 Favored 'Trans proline' 0 CA--C 1.528 0.196 0 C-N-CA 123.035 2.49 . . . . 0.0 112.911 -177.098 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 26.3 m -68.33 -34.13 75.55 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 111.751 0.278 . . . . 0.0 111.751 -175.245 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.621 ' HG ' ' HB3' ' A' ' 43' ' ' PHE . 0.2 OUTLIER -74.51 -37.42 63.11 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 177.768 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.485 ' O ' ' HB2' ' A' ' 65' ' ' PHE . 34.8 t -68.67 -48.3 64.3 Favored 'General case' 0 C--O 1.248 0.976 0 CA-C-O 121.035 0.445 . . . . 0.0 111.116 -178.376 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -60.23 -29.05 68.5 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 175.189 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.503 ' CZ3' ' HB3' ' A' ' 23' ' ' LEU . 23.3 t-105 -66.99 -32.26 73.38 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.905 179.452 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.485 ' HB2' ' O ' ' A' ' 62' ' ' SER . 8.4 m-85 -52.2 -55.69 19.5 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 175.543 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -75.92 -34.8 59.92 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.837 -176.789 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.51 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 64.7 m170 -76.16 -33.0 59.36 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.613 -176.358 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.498 ' HB2' ' CE2' ' A' ' 64' ' ' TRP . 10.2 tt0 -69.02 -31.9 71.04 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.701 0.286 . . . . 0.0 110.537 176.836 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -59.63 -32.69 70.66 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.054 0.454 . . . . 0.0 110.291 173.655 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -110.93 16.12 21.41 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 116.05 -0.523 . . . . 0.0 112.072 -177.067 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.51 ' HB2' ' O ' ' A' ' 67' ' ' HIS . 10.7 ttmm -131.39 -156.88 0.78 Allowed 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 -179.966 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 26' ' ' VAL . 6.4 mp 62.52 -81.02 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.157 0.503 . . . . 0.0 110.959 -176.956 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.6 ' HB3' HG22 ' A' ' 75' ' ' THR . 12.1 t60 -160.61 12.4 0.11 Allowed 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 -177.708 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 63.09 57.74 14.49 Favored Glycine 0 C--N 1.333 0.392 0 N-CA-C 110.419 -1.072 . . . . 0.0 110.419 -170.626 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.6 HG22 ' HB3' ' A' ' 73' ' ' HIS . 23.0 p -98.88 -171.48 2.11 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 112.667 0.618 . . . . 0.0 112.667 -167.704 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.402 ' HA ' HD22 ' A' ' 76' ' ' LEU . 95.6 mt 78.17 142.88 0.09 OUTLIER Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 114.0 -1.455 . . . . 0.0 113.032 171.671 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -80.47 -154.63 0.05 OUTLIER 'Trans proline' 0 C--O 1.237 0.449 0 C-N-CA 124.153 3.235 . . . . 0.0 111.626 -178.807 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 32.8 mmtm -72.19 77.75 0.97 Allowed 'General case' 0 CA--C 1.518 -0.279 0 CA-C-O 121.018 0.437 . . . . 0.0 110.341 171.74 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.407 HD21 ' CE2' ' A' ' 81' ' ' PHE . 57.6 mt -96.36 139.79 31.97 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-O 121.263 0.554 . . . . 0.0 110.254 178.216 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.824 ' HA ' ' HA ' ' A' ' 85' ' ' ARG . 2.9 p30 -165.6 61.93 0.11 Allowed 'General case' 0 C--N 1.311 -1.086 0 CA-C-N 114.957 -1.019 . . . . 0.0 109.07 178.162 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.463 ' HB2' ' HB2' ' A' ' 84' ' ' LEU . 88.5 m-85 -72.1 31.77 0.06 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.155 176.513 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.562 ' H ' ' C ' ' A' ' 80' ' ' ASN . . . 70.53 -50.47 0.82 Allowed Glycine 0 C--N 1.338 0.664 0 N-CA-C 111.434 -0.666 . . . . 0.0 111.434 -171.309 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.628 ' HB2' HD21 ' A' ' 84' ' ' LEU . 34.2 mtm -86.71 -61.58 1.7 Allowed 'General case' 0 C--N 1.311 -1.103 0 CA-C-N 114.368 -0.916 . . . . 0.0 108.609 177.54 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.662 HD11 ' HA3' ' A' ' 88' ' ' GLY . 2.9 mm? -81.58 64.43 6.29 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 114.059 -1.428 . . . . 0.0 110.628 -177.394 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.824 ' HA ' ' HA ' ' A' ' 80' ' ' ASN . 23.5 mtp180 -75.43 72.86 2.47 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.815 173.037 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.414 ' HE3' ' HB3' ' A' ' 86' ' ' LYS . 24.3 mtpp 64.48 13.64 8.3 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 121.586 0.708 . . . . 0.0 109.682 -172.981 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.503 ' HG3' ' O ' ' A' ' 85' ' ' ARG . 65.2 mtt -99.1 -0.05 42.58 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 114.44 -1.255 . . . . 0.0 109.91 -174.85 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.662 ' HA3' HD11 ' A' ' 84' ' ' LEU . . . . . . . . 0 N--CA 1.437 -1.289 0 CA-C-O 117.85 -1.528 . . . . 0.0 110.901 179.472 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 77.9 t80 . . . . . 0 N--CA 1.478 0.972 0 CA-C-O 121.318 0.58 . . . . 0.0 110.616 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.403 ' O ' ' HD3' ' A' ' 4' ' ' PRO . 59.2 tp -154.34 140.51 18.48 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.15 173.772 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.493 ' HG ' ' SG ' ' A' ' 53' ' ' CYS . 4.2 mm? -70.88 109.21 4.72 Favored Pre-proline 0 C--N 1.32 -0.698 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 170.723 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.883 ' HB2' ' HB ' ' A' ' 7' ' ' THR . 50.0 Cg_exo -52.31 127.88 25.49 Favored 'Trans proline' 0 N--CA 1.463 -0.306 0 C-N-CA 122.56 2.174 . . . . 0.0 112.507 -172.762 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 4' ' ' PRO . 53.0 Cg_exo -57.64 122.09 11.15 Favored 'Trans proline' 0 C--O 1.236 0.418 0 C-N-CA 123.025 2.484 . . . . 0.0 112.352 -178.809 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.6 m 70.01 14.85 7.81 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 121.438 0.637 . . . . 0.0 110.96 179.419 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.883 ' HB ' ' HB2' ' A' ' 4' ' ' PRO . 14.9 m -115.23 86.6 2.49 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 173.297 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -84.71 93.11 8.36 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.23 -170.426 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.435 ' HA ' ' OE1' ' A' ' 32' ' ' GLN . 46.7 t -143.74 88.9 2.01 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.086 169.501 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 71.4 m -113.29 117.81 32.87 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.337 -177.564 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 21.2 p -94.94 -25.1 16.68 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.372 0.606 . . . . 0.0 109.942 175.117 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -102.49 159.05 15.78 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.119 172.839 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 91.1 mt -134.04 152.37 51.81 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.646 -0.252 . . . . 0.0 110.658 -177.652 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -69.53 -39.6 77.41 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 176.265 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.431 HH11 ' HD3' ' A' ' 15' ' ' ARG . 48.1 mtt180 73.32 -44.02 0.57 Allowed 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 115.118 -0.946 . . . . 0.0 112.674 173.277 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -85.97 159.45 54.39 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-O 120.638 0.256 . . . . 0.0 111.128 -177.461 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_exo -64.7 149.56 89.56 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 123.046 2.498 . . . . 0.0 113.204 179.455 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.74 ' HB3' HD12 ' A' ' 22' ' ' LEU . 81.8 mt -100.56 154.19 18.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.941 177.456 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.602 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 19.1 m -92.32 148.11 22.39 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.115 -178.926 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.479 ' HA ' HD12 ' A' ' 23' ' ' LEU . 5.5 m-20 -55.83 -30.16 60.97 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.858 179.771 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.632 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 7.9 mtpm? -60.98 -45.69 93.78 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.081 -179.242 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.74 HD12 ' HB3' ' A' ' 18' ' ' LEU . 4.3 pp -75.01 -29.79 60.95 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.238 176.357 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.563 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 82.7 mt -64.39 -26.83 68.63 Favored 'General case' 0 C--O 1.223 -0.291 0 CA-C-N 116.003 -0.544 . . . . 0.0 112.165 -176.129 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.632 ' HG2' ' O ' ' A' ' 21' ' ' LYS . 13.3 ptm180 -67.0 -6.78 18.31 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 121.119 0.485 . . . . 0.0 111.081 -179.153 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.472 ' HB3' HE22 ' A' ' 49' ' ' GLN . 35.1 mtmm -108.47 -4.71 17.05 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.328 -179.108 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.88 HG23 ' HG ' ' A' ' 47' ' ' LEU . 21.4 t -80.52 90.02 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 179.953 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.509 HD11 ' HB3' ' A' ' 48' ' ' ALA . 23.9 pt -69.14 -30.98 48.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 115.164 -0.926 . . . . 0.0 112.687 -171.966 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -150.17 159.32 44.51 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.039 0.447 . . . . 0.0 111.052 -177.721 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.528 HG21 HE22 ' A' ' 68' ' ' GLN . 47.9 t -115.98 125.9 73.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.122 177.561 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.482 ' HG3' ' HB ' ' A' ' 44' ' ' VAL . 5.4 pt-20 -127.37 168.9 14.2 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 179.039 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -145.77 142.11 28.6 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.533 0.682 . . . . 0.0 112.117 -176.544 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.573 ' OE1' ' HB2' ' A' ' 38' ' ' CYS . 7.4 tt0 -85.38 116.71 23.87 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 114.754 -1.112 . . . . 0.0 108.831 171.828 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.469 ' C ' ' H ' ' A' ' 35' ' ' ASP . 40.8 mt-10 -74.52 152.85 39.31 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 178.56 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.417 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . . . -74.25 21.24 0.1 Allowed 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 -171.552 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.469 ' H ' ' C ' ' A' ' 33' ' ' GLU . 33.0 t70 174.96 -23.18 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 123.229 0.612 . . . . 0.0 109.402 -178.409 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -59.9 -23.79 59.55 Favored Glycine 0 C--N 1.331 0.303 0 CA-C-N 115.443 -0.799 . . . . 0.0 113.139 -179.085 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -137.03 -56.71 0.72 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.333 0.587 . . . . 0.0 109.495 177.743 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.573 ' HB2' ' OE1' ' A' ' 32' ' ' GLN . 84.5 m -131.72 -179.25 5.27 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.485 175.839 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -83.18 13.94 3.83 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 114.382 1.253 . . . . 0.0 114.382 -164.947 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -145.12 166.55 25.09 Favored 'General case' 0 C--N 1.321 -0.632 0 O-C-N 121.655 -0.653 . . . . 0.0 110.95 179.337 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.456 ' HA ' ' O ' ' A' ' 32' ' ' GLN . 50.4 tt0 -105.6 131.01 53.52 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.509 -179.786 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -153.56 132.33 12.34 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.292 178.516 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.453 ' CZ ' HD11 ' A' ' 84' ' ' LEU . 57.6 m-85 -84.75 125.78 32.85 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 175.54 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.482 ' HB ' ' HG3' ' A' ' 30' ' ' GLU . 24.7 t -106.69 114.18 45.17 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.917 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.652 -176.483 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.623 HD11 HD12 ' A' ' 18' ' ' LEU . 19.0 mt -84.67 119.81 25.67 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 -179.471 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -97.05 103.51 15.44 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.127 -169.297 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.88 ' HG ' HG23 ' A' ' 26' ' ' VAL . 5.7 mp -99.29 2.16 45.24 Favored 'General case' 0 C--O 1.213 -0.843 0 CA-C-O 121.053 0.454 . . . . 0.0 110.689 -178.468 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.509 ' HB3' HD11 ' A' ' 27' ' ' ILE . . . 78.72 -67.12 0.17 Allowed 'General case' 0 C--N 1.304 -1.408 0 CA-C-N 114.561 -1.2 . . . . 0.0 110.982 173.427 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.472 HE22 ' HB3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -75.82 -16.14 60.13 Favored 'General case' 0 CA--C 1.516 -0.328 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 171.449 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.805 ' HB2' ' HB2' ' A' ' 47' ' ' LEU . 30.7 mtt180 -128.72 163.57 24.84 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 114.816 -1.083 . . . . 0.0 111.14 174.401 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 63.5 m -151.81 123.33 7.86 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 167.775 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 79.8 mt -118.67 137.32 53.02 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.222 -173.255 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.493 ' SG ' ' HG ' ' A' ' 3' ' ' LEU . 18.4 m -101.21 120.41 40.19 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 -177.758 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.52 HD11 HD21 ' A' ' 58' ' ' ASN . 5.5 tt -115.72 147.43 19.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.492 -172.806 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 19.6 t-80 -71.67 126.23 91.58 Favored Pre-proline 0 C--N 1.322 -0.619 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 176.068 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_exo -44.56 -47.43 11.26 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 123.239 2.626 . . . . 0.0 113.002 -177.876 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -84.12 71.14 10.6 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.103 177.625 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.52 HD21 HD11 ' A' ' 54' ' ' ILE . 64.9 t30 -135.99 120.89 13.22 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 116.24 -0.436 . . . . 0.0 109.826 177.064 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -51.05 -30.91 33.01 Favored 'Trans proline' 0 C--O 1.234 0.292 0 C-N-CA 123.495 2.797 . . . . 0.0 113.197 -178.567 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.5 m -62.18 -30.83 71.33 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.568 -177.619 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.501 HD12 HD23 ' A' ' 45' ' ' LEU . 37.8 tp -75.48 -38.82 59.31 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.836 -0.345 . . . . 0.0 110.169 -178.042 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.8 m -60.18 -45.85 91.73 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 121.479 0.657 . . . . 0.0 109.355 174.094 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -61.06 -39.76 91.1 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.523 175.929 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.685 ' CZ2' ' HB ' ' A' ' 26' ' ' VAL . 7.6 t-105 -62.11 -37.3 84.58 Favored 'General case' 0 C--O 1.22 -0.461 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.134 -178.857 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -61.48 -39.84 92.38 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.458 -0.497 . . . . 0.0 110.368 177.265 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -66.32 -47.05 74.78 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 121.6 0.714 . . . . 0.0 110.122 175.115 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.555 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 23.0 m170 -72.44 -39.75 67.6 Favored 'General case' 0 C--O 1.22 -0.471 0 CA-C-N 115.133 -0.94 . . . . 0.0 111.8 -172.139 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.528 HE22 HG21 ' A' ' 29' ' ' VAL . 3.4 pt20 -62.35 -33.78 75.38 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 178.029 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -61.9 -30.79 71.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.422 178.925 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -113.82 19.51 16.59 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.732 -178.968 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.555 ' HB2' ' O ' ' A' ' 67' ' ' HIS . 10.1 ttmm -131.17 -163.71 1.35 Allowed 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 -177.965 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.474 HD21 ' O ' ' A' ' 26' ' ' VAL . 9.9 mp 52.78 -101.06 0.1 Allowed 'General case' 0 C--O 1.232 0.167 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -176.793 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 8.2 t-160 -171.77 19.42 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.622 -175.857 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 79.24 2.75 87.86 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.664 -0.779 . . . . 0.0 111.696 -174.027 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -83.75 82.84 8.14 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-O 121.388 0.613 . . . . 0.0 111.331 -179.535 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 60.5 mt -144.61 153.32 54.75 Favored Pre-proline 0 C--N 1.32 -0.682 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.351 -178.773 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.428 ' HG2' HD22 ' A' ' 79' ' ' LEU . 41.5 Cg_endo -91.42 153.7 3.64 Favored 'Trans proline' 0 N--CA 1.452 -0.913 0 C-N-CA 123.455 2.77 . . . . 0.0 111.792 175.063 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.524 ' HB3' ' HZ3' ' A' ' 78' ' ' LYS . 9.3 mtpm? -85.3 88.84 7.53 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 175.411 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.428 HD22 ' HG2' ' A' ' 77' ' ' PRO . 2.7 pp -99.56 11.9 37.92 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.25 -175.809 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 59.3 89.86 0.06 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 114.633 -1.167 . . . . 0.0 110.624 -178.079 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 14.7 p90 -121.23 12.11 10.95 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.004 0.431 . . . . 0.0 111.454 -177.055 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -75.74 -11.93 84.2 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.802 -178.026 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.473 ' O ' ' HB2' ' A' ' 87' ' ' MET . 0.0 OUTLIER -93.7 2.62 56.24 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.842 0.321 . . . . 0.0 111.434 -175.95 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.453 HD11 ' CZ ' ' A' ' 43' ' ' PHE . 30.3 mt -114.92 12.67 16.89 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -177.201 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 43.3 mtm-85 -84.76 78.3 9.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 122.23 -0.294 . . . . 0.0 110.3 177.365 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.43 ' HA ' ' HD3' ' A' ' 86' ' ' LYS . 69.9 mmtt 63.65 19.39 11.69 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 121.787 0.803 . . . . 0.0 110.508 -175.641 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.473 ' HB2' ' O ' ' A' ' 83' ' ' MET . 50.4 mtt -112.56 11.02 19.63 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 114.908 -1.042 . . . . 0.0 109.248 177.412 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.043 0 CA-C-O 118.752 -1.027 . . . . 0.0 111.014 -177.853 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 86.1 t80 . . . . . 0 N--CA 1.479 1.014 0 CA-C-O 120.971 0.415 . . . . 0.0 110.649 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.3 pp -102.56 145.09 30.13 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 175.455 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.404 HD12 ' HA ' ' A' ' 3' ' ' LEU . 4.4 mm? -65.45 112.71 9.14 Favored Pre-proline 0 C--N 1.325 -0.49 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 175.209 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.619 ' HB2' ' HB ' ' A' ' 7' ' ' THR . 23.4 Cg_exo -64.1 129.7 25.13 Favored 'Trans proline' 0 N--CA 1.463 -0.3 0 C-N-CA 122.69 2.26 . . . . 0.0 112.277 -177.855 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.426 ' C ' ' H ' ' A' ' 7' ' ' THR . 21.1 Cg_endo -60.46 138.41 80.33 Favored 'Trans proline' 0 C--O 1.236 0.419 0 C-N-CA 122.885 2.39 . . . . 0.0 112.017 179.174 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.1 t 71.15 -7.35 1.15 Allowed 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.911 -178.719 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.619 ' HB ' ' HB2' ' A' ' 4' ' ' PRO . 3.1 m -107.36 68.71 0.73 Allowed 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 178.519 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.564 ' HB2' ' HB2' ' A' ' 32' ' ' GLN . . . -79.89 98.45 7.12 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 115.142 -0.936 . . . . 0.0 112.063 -169.978 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.489 ' HA ' ' OE1' ' A' ' 32' ' ' GLN . 10.9 t -144.48 87.99 1.9 Allowed 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 169.422 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 23.5 t -126.0 126.93 45.11 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.28 -170.121 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 38.9 p -96.83 -44.79 6.91 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.712 -175.562 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.23 102.55 7.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.791 0.329 . . . . 0.0 110.454 -179.617 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 79.0 mt -95.33 133.29 39.41 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.541 -179.755 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.476 ' CE2' ' HB2' ' A' ' 16' ' ' LYS . 22.9 t80 -60.63 -46.8 88.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.335 -178.417 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 68.1 mtp180 69.82 2.16 3.73 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.852 173.772 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.476 ' HB2' ' CE2' ' A' ' 14' ' ' TYR . 14.3 mmmm -122.79 153.2 63.39 Favored Pre-proline 0 C--N 1.32 -0.706 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 179.441 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.845 ' HA ' ' HB2' ' A' ' 60' ' ' SER . 39.0 Cg_exo -61.56 136.73 64.84 Favored 'Trans proline' 0 C--O 1.234 0.301 0 C-N-CA 122.46 2.107 . . . . 0.0 111.977 176.075 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.512 ' HB3' HD13 ' A' ' 22' ' ' LEU . 76.8 mt -86.82 155.42 20.29 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.866 0.365 . . . . 0.0 110.691 -179.104 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.676 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 19.6 m -70.45 138.77 51.46 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.325 178.695 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.534 ' HA ' HD13 ' A' ' 23' ' ' LEU . 1.0 OUTLIER -65.94 -28.12 68.68 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.644 -0.253 . . . . 0.0 110.888 -176.069 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.678 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 27.6 mtpp -61.91 -44.33 97.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.013 179.361 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.676 ' HG ' ' O ' ' A' ' 19' ' ' SER . 4.3 pp -72.97 -26.6 61.42 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.198 178.165 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.534 HD13 ' HA ' ' A' ' 20' ' ' ASP . 75.5 mt -63.01 -31.77 72.99 Favored 'General case' 0 C--O 1.223 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.606 -178.959 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.678 ' HG2' ' O ' ' A' ' 21' ' ' LYS . 14.9 ptm180 -68.18 -1.1 5.43 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-O 121.218 0.533 . . . . 0.0 111.15 179.499 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 52.4 mtmt -118.59 4.27 11.69 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.821 -179.254 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.847 HG22 ' HG ' ' A' ' 47' ' ' LEU . 44.5 t -90.02 105.09 15.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 177.623 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.465 ' HA ' HD21 ' A' ' 72' ' ' LEU . 22.1 pt -89.09 -23.77 6.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 -170.233 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.484 ' HA ' ' OE1' ' A' ' 28' ' ' GLN . 15.8 mm-40 -142.03 155.6 45.41 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.023 0.439 . . . . 0.0 111.917 -176.353 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 35.7 t -116.91 125.2 73.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.162 176.632 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -112.22 122.34 47.47 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.973 0.416 . . . . 0.0 110.333 -173.505 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 15.1 tp -101.14 114.47 28.45 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.56 0.695 . . . . 0.0 111.412 -175.885 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.564 ' HB2' ' HB2' ' A' ' 8' ' ' ALA . 7.0 tt0 -90.74 120.55 31.88 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 114.918 -1.037 . . . . 0.0 108.826 173.904 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -96.71 155.46 16.76 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 -179.219 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.07 -13.97 8.44 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 -171.762 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -149.46 11.74 0.79 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.602 0.715 . . . . 0.0 109.49 176.986 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.453 ' O ' ' HB2' ' A' ' 37' ' ' ASP . . . -98.77 97.27 1.84 Allowed Glycine 0 N--CA 1.444 -0.772 0 CA-C-N 115.094 -0.957 . . . . 0.0 111.202 178.837 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.453 ' HB2' ' O ' ' A' ' 36' ' ' GLY . 1.5 m-20 74.71 -10.14 1.23 Allowed 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 123.388 0.675 . . . . 0.0 111.923 -178.232 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.0 t -153.95 -166.76 2.46 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.511 0.196 . . . . 0.0 110.552 -179.971 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 31.1 p-80 -121.91 20.06 10.86 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -175.233 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -155.6 161.89 40.74 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 176.421 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.514 ' HA ' ' O ' ' A' ' 32' ' ' GLN . 7.8 tt0 -101.36 138.29 38.57 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.757 0.313 . . . . 0.0 110.628 178.762 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.547 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -161.51 145.98 13.17 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.622 174.745 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.64 ' CB ' ' HG ' ' A' ' 61' ' ' LEU . 38.8 m-85 -98.05 102.65 14.45 Favored 'General case' 0 C--N 1.314 -0.953 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 173.155 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 58.4 t -96.4 136.69 26.44 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.004 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.716 -175.229 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.511 HD11 HD13 ' A' ' 18' ' ' LEU . 52.5 mt -102.3 123.85 46.84 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 121.242 0.544 . . . . 0.0 111.253 -176.099 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.417 ' HB3' ' HB2' ' A' ' 28' ' ' GLN . 54.2 t-80 -98.77 104.5 16.54 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.477 -175.457 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.847 ' HG ' HG22 ' A' ' 26' ' ' VAL . 5.7 mp -81.89 171.6 14.28 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.092 176.154 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.36 -16.15 59.57 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 112.481 0.549 . . . . 0.0 112.481 -174.81 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.67 5.99 2.93 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.64 -0.424 . . . . 0.0 112.045 -176.502 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -171.0 177.98 3.54 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 120.686 -0.406 . . . . 0.0 111.515 -172.896 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 62.3 m -140.35 136.44 33.18 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.811 0.338 . . . . 0.0 110.762 177.439 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 64.2 mt -117.38 138.2 48.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 178.395 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 48.5 m -101.76 121.59 42.36 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.358 0.599 . . . . 0.0 111.314 -170.935 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.539 ' HB ' ' O ' ' A' ' 43' ' ' PHE . 16.3 mt -115.92 135.42 56.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.698 -175.387 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 50.6 t-80 -60.15 130.43 89.22 Favored Pre-proline 0 C--O 1.225 -0.233 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 173.157 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.547 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 78.1 Cg_exo -49.59 -48.16 20.11 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.931 2.421 . . . . 0.0 112.683 -174.41 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 24.7 mm-40 -79.41 80.61 5.77 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 174.132 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 48.1 t-20 -146.25 126.04 6.83 Favored Pre-proline 0 N--CA 1.451 -0.381 0 CA-C-N 115.483 -0.781 . . . . 0.0 109.525 178.436 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -51.72 -36.99 63.89 Favored 'Trans proline' 0 N--CA 1.465 -0.186 0 C-N-CA 123.363 2.708 . . . . 0.0 112.931 177.44 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.845 ' HB2' ' HA ' ' A' ' 17' ' ' PRO . 35.3 t -62.37 -33.05 73.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.457 -175.768 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.64 ' HG ' ' CB ' ' A' ' 43' ' ' PHE . 0.8 OUTLIER -80.14 -48.5 13.09 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 -177.686 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 18.1 t -59.7 -49.86 76.09 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-O 121.327 0.584 . . . . 0.0 110.216 179.514 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -64.36 -28.66 69.85 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.476 178.205 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.478 ' CZ3' ' HB3' ' A' ' 23' ' ' LEU . 16.3 t-105 -63.58 -42.45 98.28 Favored 'General case' 0 C--O 1.218 -0.6 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.381 177.661 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.471 ' HB3' ' HD3' ' A' ' 85' ' ' ARG . 12.2 m-85 -54.71 -40.25 69.01 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.771 -0.371 . . . . 0.0 110.677 176.123 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.554 ' OE2' ' HD2' ' A' ' 85' ' ' ARG . 41.8 mm-40 -66.44 -50.73 62.39 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 121.528 0.68 . . . . 0.0 111.196 174.701 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.496 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 55.1 m-70 -74.15 -30.17 62.14 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.906 -0.588 . . . . 0.0 112.34 -172.068 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.47 ' HG2' ' O ' ' A' ' 64' ' ' TRP . 12.9 pt20 -69.44 -29.72 67.49 Favored 'General case' 0 CA--C 1.518 -0.281 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 176.093 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.48 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 18.7 tp10 -59.24 -35.52 73.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.263 175.398 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 8.1 ptt180 -113.46 28.37 8.83 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.048 -0.523 . . . . 0.0 112.209 178.071 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.496 ' HB2' ' O ' ' A' ' 67' ' ' HIS . 21.5 ttmt -138.04 -168.34 2.34 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 175.511 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.491 HD21 ' O ' ' A' ' 26' ' ' VAL . 8.9 mp 52.13 -95.45 0.04 OUTLIER 'General case' 0 C--N 1.343 0.285 0 CA-C-O 121.221 0.534 . . . . 0.0 111.218 -172.062 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 18.5 t-160 -164.22 12.13 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.329 -0.85 . . . . 0.0 109.077 -179.326 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 77.03 7.72 86.73 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.043 -174.792 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 40.5 p -87.33 105.33 17.17 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.793 0.33 . . . . 0.0 110.781 -179.02 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 47.3 mt -154.59 154.7 29.72 Favored Pre-proline 0 C--N 1.327 -0.394 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 -174.452 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -86.58 170.85 7.57 Favored 'Trans proline' 0 N--CA 1.456 -0.723 0 C-N-CA 122.587 2.191 . . . . 0.0 112.065 176.842 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 16.8 pttp -81.48 87.99 6.18 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.565 0.697 . . . . 0.0 110.425 176.237 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.3 pp -111.63 34.91 3.88 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.555 -179.384 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.574 ' O ' ' HG2' ' A' ' 83' ' ' MET . 5.9 p30 41.43 47.44 3.15 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.987 0.915 . . . . 0.0 113.259 175.338 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.597 ' O ' ' HG3' ' A' ' 85' ' ' ARG . 27.4 p90 -68.74 -12.61 61.65 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.24 179.941 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -80.38 -6.0 89.49 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.946 179.624 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.574 ' HG2' ' O ' ' A' ' 80' ' ' ASN . 17.4 ptt? -74.21 -21.14 59.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.817 0.308 . . . . 0.0 111.822 -177.703 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.418 HD13 ' CG ' ' A' ' 83' ' ' MET . 0.0 OUTLIER -139.49 0.06 1.82 Allowed 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 -170.468 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.597 ' HG3' ' O ' ' A' ' 81' ' ' PHE . 46.0 mtm180 -70.12 134.85 48.59 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.111 175.371 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 24.4 mmtp 69.18 4.42 4.57 Favored 'General case' 0 N--CA 1.466 0.341 0 O-C-N 123.765 0.666 . . . . 0.0 110.927 179.13 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 25.5 mmt -95.7 -29.68 14.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.857 178.546 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.157 -1.357 . . . . 0.0 111.021 178.039 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 38.2 p90 . . . . . 0 N--CA 1.477 0.891 0 CA-C-O 121.608 0.718 . . . . 0.0 110.54 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.643 ' O ' ' HD3' ' A' ' 4' ' ' PRO . 19.6 tp -133.7 141.65 47.65 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.096 -0.956 . . . . 0.0 108.575 175.665 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.411 HD13 ' HA ' ' A' ' 3' ' ' LEU . 4.4 mm? -97.44 102.5 12.91 Favored Pre-proline 0 C--N 1.321 -0.636 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 172.035 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.643 ' HD3' ' O ' ' A' ' 2' ' ' LEU . 21.0 Cg_exo -70.86 147.74 56.46 Favored 'Trans proline' 0 N--CA 1.464 -0.264 0 C-N-CA 123.325 2.683 . . . . 0.0 112.42 179.608 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 4' ' ' PRO . 44.1 Cg_exo -57.43 127.15 24.34 Favored 'Trans proline' 0 C--O 1.235 0.361 0 C-N-CA 122.657 2.238 . . . . 0.0 111.421 176.995 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.5 m 72.5 11.56 5.64 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.935 -179.092 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.412 ' HB ' ' HB2' ' A' ' 4' ' ' PRO . 79.3 m -129.04 79.51 1.92 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.676 0.75 . . . . 0.0 109.739 174.935 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -97.25 87.14 4.09 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.434 -178.999 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -122.26 80.5 1.72 Allowed 'General case' 0 N--CA 1.443 -0.785 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 -179.804 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 40.8 t -73.96 124.98 27.22 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.651 -1.159 . . . . 0.0 111.525 -173.26 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 33.6 p -103.76 -7.09 20.86 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.878 -179.878 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -148.3 125.87 11.74 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.529 0.68 . . . . 0.0 111.797 -178.257 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.568 HD23 ' SG ' ' A' ' 53' ' ' CYS . 63.7 mt -96.74 145.47 25.78 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.531 -0.758 . . . . 0.0 110.431 -177.474 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -78.73 -27.56 44.85 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 177.374 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.423 HH11 ' HD3' ' A' ' 15' ' ' ARG . 14.6 mmm-85 71.33 -50.95 0.69 Allowed 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 115.336 -0.847 . . . . 0.0 112.117 176.661 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 61.5 tttp -66.38 141.34 97.14 Favored Pre-proline 0 C--N 1.325 -0.487 0 C-N-CA 122.826 0.45 . . . . 0.0 111.454 -178.635 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_exo -57.56 148.05 75.38 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.776 2.317 . . . . 0.0 111.7 170.864 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.602 ' HB3' HD12 ' A' ' 22' ' ' LEU . 63.7 mt -94.29 156.37 16.56 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.931 0.396 . . . . 0.0 111.457 -174.913 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.616 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 12.8 m -81.1 138.86 35.92 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.491 178.549 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.577 ' OD1' ' HE3' ' A' ' 71' ' ' LYS . 25.0 t70 -61.57 -32.04 72.11 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.91 -176.787 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.538 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 89.4 mttt -58.63 -47.48 84.26 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.966 179.866 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.616 ' HG ' ' O ' ' A' ' 19' ' ' SER . 4.6 pp -74.55 -28.99 61.19 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.485 178.461 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.519 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 59.6 mt -61.8 -45.82 92.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.673 -178.44 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.538 ' HG2' ' O ' ' A' ' 21' ' ' LYS . 13.9 ptt180 -57.7 -8.55 0.93 Allowed 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -178.81 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.466 ' HE2' ' HA ' ' A' ' 22' ' ' LEU . 51.6 mtmt -106.31 7.93 31.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.73 0.3 . . . . 0.0 111.719 -177.91 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.498 HG22 ' HG ' ' A' ' 47' ' ' LEU . 91.7 t -75.03 138.96 19.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 174.524 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 28.0 pt -97.56 -41.55 10.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.433 -178.814 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -147.18 151.94 37.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.85 0.357 . . . . 0.0 110.328 -179.13 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.715 HG21 HE22 ' A' ' 68' ' ' GLN . 40.8 t -109.41 136.88 43.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 177.784 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -132.94 171.25 14.2 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.747 -175.42 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -146.18 139.11 25.65 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.273 178.809 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.506 ' HG2' ' O ' ' A' ' 40' ' ' LEU . 9.7 tt0 -81.21 114.48 20.05 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 171.835 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -64.51 130.72 44.8 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.353 -178.408 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.627 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . . . -70.34 -17.77 63.07 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.888 -175.435 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -141.2 -18.2 0.81 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.132 -178.374 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -71.52 -96.2 0.07 OUTLIER Glycine 0 CA--C 1.519 0.334 0 C-N-CA 121.125 -0.56 . . . . 0.0 113.485 -177.679 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -75.36 -26.53 58.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.388 0.613 . . . . 0.0 110.363 -176.477 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 60.2 m -133.07 -175.74 3.89 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.875 -178.646 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 4.8 p80 -120.09 30.11 7.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.169 0.509 . . . . 0.0 111.155 -178.131 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.506 ' O ' ' HG2' ' A' ' 32' ' ' GLN . 0.8 OUTLIER -157.12 156.65 33.1 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 174.792 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.627 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 7.3 tt0 -104.21 143.69 32.61 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.962 -0.295 . . . . 0.0 111.334 -176.871 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.554 ' HA ' ' HG3' ' A' ' 56' ' ' PRO . . . -162.14 127.58 3.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.127 173.805 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.427 ' HD2' ' HA ' ' A' ' 56' ' ' PRO . 30.2 m-85 -86.36 117.92 25.47 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 175.79 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 24.5 t -114.6 137.48 47.84 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.938 -169.403 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.527 ' N ' HD21 ' A' ' 45' ' ' LEU . 2.7 mm? -109.74 113.83 26.91 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.496 -0.774 . . . . 0.0 109.489 -175.477 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -105.33 112.81 26.06 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.791 -171.572 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.498 ' HG ' HG22 ' A' ' 26' ' ' VAL . 4.9 mp -100.67 163.44 12.34 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.642 178.495 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.27 -20.57 63.04 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.865 0.364 . . . . 0.0 111.286 -177.145 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.88 -5.37 12.04 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.352 -176.143 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -169.24 174.48 6.12 Favored 'General case' 0 C--O 1.224 -0.271 0 C-N-CA 121.016 -0.273 . . . . 0.0 110.877 -172.575 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 38.8 m -145.69 123.88 12.21 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.817 0.341 . . . . 0.0 110.378 177.313 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.513 HG21 HD21 ' A' ' 18' ' ' LEU . 54.4 mt -114.18 134.48 56.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.913 178.985 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.568 ' SG ' HD23 ' A' ' 13' ' ' LEU . 42.4 t -104.16 120.38 40.99 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 120.976 0.417 . . . . 0.0 110.412 -178.461 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.52 HG23 ' HB2' ' A' ' 61' ' ' LEU . 0.4 OUTLIER -100.95 144.94 12.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.512 0.672 . . . . 0.0 112.388 -178.526 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 40.9 t-80 -62.03 124.76 83.28 Favored Pre-proline 0 C--O 1.224 -0.272 0 CA-C-N 114.983 -1.008 . . . . 0.0 109.418 173.291 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.554 ' HG3' ' HA ' ' A' ' 42' ' ' ALA . 93.5 Cg_exo -41.95 -58.03 1.32 Allowed 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 123.341 2.694 . . . . 0.0 113.883 -174.195 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -81.45 78.8 8.18 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.792 -0.448 . . . . 0.0 109.792 175.571 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.418 ' HA ' ' HD2' ' A' ' 59' ' ' PRO . 64.1 t30 -137.84 126.18 14.36 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.399 178.307 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 58' ' ' ASN . 11.0 Cg_endo -54.79 -30.32 67.0 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 122.963 2.442 . . . . 0.0 112.238 177.873 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.531 ' HA ' ' OE1' ' A' ' 63' ' ' GLN . 11.7 t -62.25 -35.52 79.19 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.634 -179.796 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.52 ' HB2' HG23 ' A' ' 54' ' ' ILE . 1.1 tm? -71.0 -47.98 55.72 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 179.92 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.5 m -58.69 -50.66 73.05 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.941 179.557 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.531 ' OE1' ' HA ' ' A' ' 60' ' ' SER . 3.7 pt20 -65.38 -28.39 69.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.439 -178.604 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.519 ' CZ3' ' HB3' ' A' ' 23' ' ' LEU . 12.3 t-105 -68.3 -35.48 77.88 Favored 'General case' 0 C--O 1.219 -0.513 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.994 179.647 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.402 ' HA ' ' CD ' ' A' ' 68' ' ' GLN . 6.4 m-85 -62.69 -33.01 74.21 Favored 'General case' 0 C--N 1.319 -0.737 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.24 175.359 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -72.86 -48.81 34.35 Favored 'General case' 0 C--O 1.24 0.59 0 CA-C-O 121.569 0.699 . . . . 0.0 110.367 174.374 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.472 ' O ' ' HG2' ' A' ' 70' ' ' ARG . 12.3 m170 -66.35 -35.86 81.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.562 -177.489 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.715 HE22 HG21 ' A' ' 29' ' ' VAL . 2.0 pt20 -68.06 -29.25 68.17 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.765 -0.458 . . . . 0.0 109.765 179.919 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -62.81 -28.89 70.31 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.161 177.062 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.472 ' HG2' ' O ' ' A' ' 67' ' ' HIS . 8.0 ptp180 -106.57 10.68 31.12 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.534 -178.236 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.577 ' HE3' ' OD1' ' A' ' 20' ' ' ASP . 53.2 mttm -136.59 -154.77 0.57 Allowed 'General case' 0 N--CA 1.468 0.442 0 O-C-N 122.458 -0.151 . . . . 0.0 111.21 179.586 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.9 mp 65.2 -70.24 0.09 Allowed 'General case' 0 C--N 1.345 0.405 0 C-N-CA 123.692 0.797 . . . . 0.0 111.489 -176.12 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 71.6 t60 175.31 -25.1 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.435 -171.776 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 99.51 14.62 34.58 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.022 -178.053 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.8 p -118.29 112.27 19.85 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.693 0.283 . . . . 0.0 111.083 179.709 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.4 ' HA ' HD21 ' A' ' 76' ' ' LEU . 45.7 mt -142.06 157.7 63.3 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.346 -179.578 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -87.87 173.62 5.02 Favored 'Trans proline' 0 N--CA 1.454 -0.845 0 C-N-CA 122.718 2.279 . . . . 0.0 112.734 -176.36 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.77 57.6 4.47 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.381 0.61 . . . . 0.0 111.293 178.249 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -85.05 2.65 42.31 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.732 0.777 . . . . 0.0 110.198 176.599 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 62.47 74.55 0.43 Allowed 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 113.932 -1.486 . . . . 0.0 110.68 -177.891 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.614 ' O ' ' HG3' ' A' ' 85' ' ' ARG . 1.0 OUTLIER -68.83 -21.59 64.28 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.75 178.047 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -72.25 -0.48 45.56 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 121.115 -0.564 . . . . 0.0 112.674 178.267 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 58.2 ttp -61.53 -35.41 77.66 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 121.06 0.457 . . . . 0.0 111.306 179.422 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.452 ' C ' HD21 ' A' ' 84' ' ' LEU . 0.0 OUTLIER -123.74 -3.11 8.26 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.75 -176.853 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.614 ' HG3' ' O ' ' A' ' 81' ' ' PHE . 49.2 mtm180 -82.93 135.23 34.97 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 177.421 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.428 ' HD2' ' HA ' ' A' ' 86' ' ' LYS . 44.4 tptt 70.23 12.18 7.6 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 122.055 0.931 . . . . 0.0 109.305 -175.506 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 49.2 tpp -105.52 -26.71 11.78 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.892 -1.049 . . . . 0.0 109.186 176.148 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.968 0 CA-C-O 118.628 -1.096 . . . . 0.0 111.517 177.866 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 71.2 t80 . . . . . 0 N--CA 1.481 1.076 0 CA-C-O 120.836 0.35 . . . . 0.0 110.172 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 24.9 tp -60.01 141.32 55.85 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 174.141 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.477 ' HG ' ' HB2' ' A' ' 53' ' ' CYS . 4.2 mm? -67.13 114.47 18.54 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 123.31 0.381 . . . . 0.0 110.241 177.244 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.417 ' HB2' ' OG1' ' A' ' 7' ' ' THR . 15.1 Cg_exo -67.74 129.46 19.89 Favored 'Trans proline' 0 N--CA 1.456 -0.714 0 C-N-CA 122.535 2.157 . . . . 0.0 111.112 178.502 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.52 ' HA ' ' OG ' ' A' ' 51' ' ' SER . 53.7 Cg_exo -54.59 126.44 22.35 Favored 'Trans proline' 0 C--O 1.235 0.365 0 C-N-CA 122.912 2.408 . . . . 0.0 112.498 -178.732 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.4 m 70.13 25.79 4.61 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.4 177.858 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.417 ' OG1' ' HB2' ' A' ' 4' ' ' PRO . 13.9 m -117.05 105.84 12.73 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.712 175.077 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -95.89 86.56 4.37 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -172.124 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 7.4 t -164.56 65.41 0.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.89 0.853 . . . . 0.0 109.264 169.474 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 13.0 t -86.6 122.84 31.08 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 114.638 -1.165 . . . . 0.0 110.323 178.146 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.0 t -112.95 5.45 17.3 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.546 176.853 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.447 HE22 HD23 ' A' ' 3' ' ' LEU . 0.1 OUTLIER -135.27 95.17 3.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.777 0.798 . . . . 0.0 111.134 178.413 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.667 HD21 ' SG ' ' A' ' 53' ' ' CYS . 48.5 mt -75.01 142.86 43.78 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.337 -175.756 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 16.8 t80 -75.34 -37.02 60.92 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.638 -0.505 . . . . 0.0 109.638 177.788 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 75.0 mtm180 72.17 -19.55 0.28 Allowed 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 173.327 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -90.64 155.35 45.85 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-O 120.816 0.341 . . . . 0.0 111.439 -177.327 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_endo -76.21 142.39 24.26 Favored 'Trans proline' 0 N--CA 1.461 -0.394 0 C-N-CA 122.494 2.129 . . . . 0.0 111.357 172.494 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.908 ' HB3' HD11 ' A' ' 22' ' ' LEU . 87.2 mt -96.18 144.17 26.63 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 120.945 0.403 . . . . 0.0 110.778 -176.743 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.527 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 17.3 m -70.94 143.81 50.77 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.803 -178.94 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.486 ' HA ' HD13 ' A' ' 23' ' ' LEU . 16.7 t70 -61.69 -30.66 70.89 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.172 -175.826 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.619 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 66.1 mttm -63.21 -46.78 85.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.265 179.094 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.908 HD11 ' HB3' ' A' ' 18' ' ' LEU . 4.5 pp -74.15 -26.64 60.43 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.603 -0.439 . . . . 0.0 110.027 176.874 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.486 HD13 ' HA ' ' A' ' 20' ' ' ASP . 53.7 mt -63.32 -41.63 98.92 Favored 'General case' 0 C--O 1.22 -0.476 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.174 178.223 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.619 ' HG2' ' O ' ' A' ' 21' ' ' LYS . 13.9 ptm180 -64.32 -4.37 3.73 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 121.246 0.546 . . . . 0.0 111.56 -179.084 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.402 ' HD3' ' HA ' ' A' ' 22' ' ' LEU . 40.3 mtpt -103.06 0.13 31.55 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.484 177.538 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.929 HG22 ' HG ' ' A' ' 47' ' ' LEU . 30.5 t -86.79 137.91 20.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 173.812 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 17.7 pt -114.86 -23.68 4.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -175.578 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.481 ' HB2' ' HB3' ' A' ' 46' ' ' HIS . 72.3 mm-40 -143.57 157.54 44.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.976 0.417 . . . . 0.0 111.663 -177.307 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 20.3 t -116.38 122.66 70.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 172.107 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.582 ' HG3' ' HB ' ' A' ' 44' ' ' VAL . 3.7 pt-20 -116.5 122.61 45.24 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.204 0.526 . . . . 0.0 111.02 -177.667 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 40.7 tp -93.33 121.42 34.69 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.357 -173.76 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -91.46 119.9 31.83 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.193 -0.912 . . . . 0.0 109.675 175.899 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -81.12 151.2 28.4 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.591 -176.537 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.652 ' HB1' ' HB2' ' A' ' 41' ' ' GLN . . . -75.88 -8.55 57.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.807 -173.075 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -146.25 4.09 0.92 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.43 -176.308 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -76.15 -86.96 0.33 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.421 -175.302 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -107.64 5.8 27.23 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.054 0.454 . . . . 0.0 110.058 179.915 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -157.29 154.91 29.81 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.011 -0.736 . . . . 0.0 109.011 -178.335 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -92.57 38.29 1.01 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.16 0.505 . . . . 0.0 110.905 179.969 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.5 tt -157.68 138.13 12.85 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 -176.634 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.652 ' HB2' ' HB1' ' A' ' 34' ' ' ALA . 35.6 tt0 -94.55 129.52 41.33 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.948 0.404 . . . . 0.0 110.5 179.658 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.405 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -146.38 151.95 38.3 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.852 -178.454 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.464 ' HB3' ' HG ' ' A' ' 61' ' ' LEU . 22.3 m-85 -109.83 102.45 11.23 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 173.065 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.582 ' HB ' ' HG3' ' A' ' 30' ' ' GLU . 40.9 t -96.36 133.33 38.05 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.425 -173.853 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.673 HD12 HD12 ' A' ' 18' ' ' LEU . 47.2 mt -100.74 122.96 44.25 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.298 0.57 . . . . 0.0 110.784 -179.027 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.481 ' HB3' ' HB2' ' A' ' 28' ' ' GLN . 4.8 t60 -92.85 95.95 9.83 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.068 -0.969 . . . . 0.0 110.214 -176.306 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.929 ' HG ' HG22 ' A' ' 26' ' ' VAL . 6.1 mp -76.71 166.94 22.68 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 174.556 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.35 -17.99 64.97 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 120.943 0.401 . . . . 0.0 111.184 -175.085 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.7 -19.14 10.08 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.385 -175.82 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -162.96 178.08 8.67 Favored 'General case' 0 C--O 1.22 -0.486 0 CA-C-N 116.804 -0.18 . . . . 0.0 111.001 -164.771 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.52 ' OG ' ' HA ' ' A' ' 5' ' ' PRO . 53.9 m -132.46 139.27 47.92 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.99 0.424 . . . . 0.0 110.418 174.003 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 66.5 mt -116.07 142.98 27.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 179.003 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.667 ' SG ' HD21 ' A' ' 13' ' ' LEU . 41.6 t -102.14 120.85 41.12 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.004 0.43 . . . . 0.0 110.9 -174.378 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -116.31 144.75 23.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-O 121.23 0.538 . . . . 0.0 111.037 -177.269 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 40.9 t-80 -77.54 133.25 67.43 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.359 175.794 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.522 ' O ' ' HB2' ' A' ' 57' ' ' GLN . 51.3 Cg_exo -53.95 151.85 25.58 Favored 'Trans proline' 0 CA--C 1.528 0.183 0 C-N-CA 122.467 2.111 . . . . 0.0 112.07 176.956 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.522 ' HB2' ' O ' ' A' ' 56' ' ' PRO . 20.0 mm-40 76.87 -1.76 2.79 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.01 0.524 . . . . 0.0 112.229 -178.224 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -74.92 123.94 89.25 Favored Pre-proline 0 C--N 1.326 -0.453 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 172.311 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -54.73 -26.35 46.69 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 123.451 2.767 . . . . 0.0 112.552 -175.535 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 21.3 t -60.46 -30.33 69.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.146 -179.337 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.464 ' HG ' ' HB3' ' A' ' 43' ' ' PHE . 0.3 OUTLIER -80.44 -54.63 5.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.743 0.306 . . . . 0.0 110.439 -179.317 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.556 ' O ' ' HB2' ' A' ' 65' ' ' PHE . 5.4 m -60.44 -45.92 91.9 Favored 'General case' 0 C--O 1.242 0.661 0 CA-C-O 121.447 0.642 . . . . 0.0 111.011 -177.332 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -64.7 -31.7 73.05 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.227 177.511 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.559 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 25.7 t-105 -65.58 -33.27 75.52 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.489 177.853 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.777 ' HB3' ' O ' ' A' ' 81' ' ' PHE . 2.1 m-85 -52.24 -52.98 49.29 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.147 0.498 . . . . 0.0 110.279 175.614 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -79.07 -31.77 44.52 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 120.216 -0.593 . . . . 0.0 111.186 -179.071 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.525 ' HB2' ' HA ' ' A' ' 64' ' ' TRP . 9.1 m170 -63.25 -44.56 94.84 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.03 178.309 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.559 ' HG2' ' O ' ' A' ' 64' ' ' TRP . 3.9 pt20 -66.61 -31.71 72.58 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-O 120.594 0.235 . . . . 0.0 110.435 -179.59 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -54.66 -36.19 64.34 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.434 178.279 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 26.8 ptt180 -114.68 36.43 3.82 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.954 179.309 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.533 ' HD3' ' HB3' ' A' ' 24' ' ' ARG . 8.0 ttmm -144.02 -157.89 0.83 Allowed 'General case' 0 CA--C 1.535 0.378 0 O-C-N 122.106 -0.371 . . . . 0.0 110.426 -178.054 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.413 ' N ' HD11 ' A' ' 72' ' ' LEU . 7.3 mp 61.56 -88.37 0.02 OUTLIER 'General case' 0 C--N 1.344 0.329 0 C-N-CA 123.081 0.552 . . . . 0.0 111.844 -178.796 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 12.2 t60 -150.89 6.87 0.53 Allowed 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 -177.618 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 84.35 26.41 39.88 Favored Glycine 0 N--CA 1.445 -0.739 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 -170.571 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.522 ' O ' ' HB2' ' A' ' 76' ' ' LEU . 6.0 p -82.2 -176.44 6.17 Favored 'General case' 0 N--CA 1.439 -1.014 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 175.409 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.522 ' HB2' ' O ' ' A' ' 75' ' ' THR . 10.3 mt 72.5 162.22 0.15 Allowed Pre-proline 0 C--N 1.323 -0.563 0 O-C-N 124.02 0.825 . . . . 0.0 110.576 179.624 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.465 ' HD2' ' HB3' ' A' ' 76' ' ' LEU . 44.1 Cg_endo -81.46 111.96 2.41 Favored 'Trans proline' 0 N--CA 1.451 -0.99 0 C-N-CA 121.913 1.742 . . . . 0.0 111.392 -178.259 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.628 ' HB3' ' HZ1' ' A' ' 78' ' ' LYS . 9.4 mtpm? -72.64 89.1 1.3 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.505 0.669 . . . . 0.0 111.119 -175.966 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 77' ' ' PRO . 7.4 mt -124.88 -136.32 0.28 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.561 -1.2 . . . . 0.0 108.175 -179.217 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.663 ' O ' ' HB2' ' A' ' 85' ' ' ARG . 0.2 OUTLIER -125.24 129.01 49.19 Favored 'General case' 0 C--N 1.305 -1.338 0 CA-C-N 114.624 -1.171 . . . . 0.0 107.899 162.896 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.777 ' O ' ' HB3' ' A' ' 65' ' ' PHE . 9.2 p90 -162.68 98.65 0.99 Allowed 'General case' 0 C--N 1.314 -0.972 0 CA-C-O 121.165 0.507 . . . . 0.0 110.608 176.197 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -94.83 -32.53 7.14 Favored Glycine 0 N--CA 1.446 -0.689 0 N-CA-C 109.393 -1.483 . . . . 0.0 109.393 167.912 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.484 ' HE3' ' HB3' ' A' ' 83' ' ' MET . 11.7 mtp -157.5 90.34 1.09 Allowed 'General case' 0 CA--C 1.516 -0.343 0 CA-C-N 114.862 -0.669 . . . . 0.0 110.653 169.208 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.436 ' H ' ' HE2' ' A' ' 65' ' ' PHE . 19.0 mt 62.45 27.42 16.29 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.227 -0.897 . . . . 0.0 112.882 174.224 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.663 ' HB2' ' O ' ' A' ' 80' ' ' ASN . 52.4 mtt180 -64.17 102.58 0.52 Allowed 'General case' 0 N--CA 1.435 -1.188 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 176.223 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.541 ' HB2' ' O ' ' A' ' 85' ' ' ARG . 12.5 mmmm 102.34 -7.33 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 125.189 1.395 . . . . 0.0 109.988 176.501 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 4.5 mpp? -103.36 -21.06 13.87 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.544 172.004 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.154 0 CA-C-O 118.372 -1.238 . . . . 0.0 110.902 177.22 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.425 ' HA ' ' HB2' ' A' ' 38' ' ' CYS . 24.4 t . . . . . 0 N--CA 1.448 -0.538 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 75.4 m -71.97 117.75 13.97 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.707 -1.133 . . . . 0.0 111.03 -176.774 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 16.5 p -92.51 -8.53 44.28 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.655 0.741 . . . . 0.0 109.763 171.178 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -120.42 157.07 30.11 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 114.938 -1.028 . . . . 0.0 110.506 178.581 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 93.5 mt -135.08 139.87 45.07 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 178.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.604 ' CE2' ' HB2' ' A' ' 16' ' ' LYS . 23.0 t80 -70.9 -46.87 61.77 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.558 -177.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 63.0 mtp180 71.23 10.37 6.73 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 171.474 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.604 ' HB2' ' CE2' ' A' ' 14' ' ' TYR . 2.1 mptm? -102.15 148.23 35.09 Favored Pre-proline 0 C--N 1.326 -0.431 0 C-N-CA 120.889 -0.324 . . . . 0.0 110.629 175.215 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -69.89 110.99 2.71 Favored 'Trans proline' 0 C--O 1.239 0.549 0 C-N-CA 122.247 1.965 . . . . 0.0 110.712 169.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.616 HD12 HD12 ' A' ' 45' ' ' LEU . 71.0 mt -69.05 144.33 54.04 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.082 0.468 . . . . 0.0 111.123 -173.786 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.645 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 9.4 m -71.59 131.76 43.68 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.357 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.544 ' HA ' HD12 ' A' ' 23' ' ' LEU . 33.7 t70 -58.73 -28.45 65.86 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.311 0.577 . . . . 0.0 110.724 -178.024 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.605 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 90.6 mttt -59.03 -48.2 82.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.199 -0.909 . . . . 0.0 110.641 177.684 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.645 ' HG ' ' O ' ' A' ' 19' ' ' SER . 4.2 pp -75.3 -27.72 59.44 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.365 176.032 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.594 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 70.5 mt -61.77 -36.29 80.62 Favored 'General case' 0 C--O 1.225 -0.205 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.533 -178.866 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.605 ' HG2' ' O ' ' A' ' 21' ' ' LYS . 13.2 ptm180 -63.88 -0.42 1.07 Allowed 'General case' 0 N--CA 1.47 0.559 0 O-C-N 122.101 -0.375 . . . . 0.0 111.72 179.527 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -114.32 7.29 16.38 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.882 177.301 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 1.044 HG22 ' HG ' ' A' ' 47' ' ' LEU . 43.1 t -92.26 89.47 2.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 121.242 0.544 . . . . 0.0 109.689 178.192 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 26.4 pt -75.68 -15.92 15.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.591 -0.732 . . . . 0.0 112.72 -171.359 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.6 ' HB2' ' HB3' ' A' ' 46' ' ' HIS . 68.5 mm-40 -142.68 151.36 41.31 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.205 0.526 . . . . 0.0 112.007 -175.871 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 54.0 t -120.16 115.19 46.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 170.454 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.636 ' HG3' HG22 ' A' ' 44' ' ' VAL . 6.5 pt-20 -110.34 120.75 43.44 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.747 0.784 . . . . 0.0 111.143 -175.571 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 44.5 tp -84.48 120.56 26.46 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 114.895 -1.048 . . . . 0.0 110.808 -177.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.571 ' NE2' ' HG ' ' A' ' 40' ' ' LEU . 45.2 tt0 -80.23 104.29 10.68 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.342 173.63 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -69.88 141.37 53.19 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.516 -179.393 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.641 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . . . -75.89 4.3 8.42 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.786 -176.216 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -159.29 -39.81 0.06 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.128 178.776 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -69.82 -7.1 58.26 Favored Glycine 0 CA--C 1.521 0.408 0 CA-C-N 115.664 -0.698 . . . . 0.0 113.89 -176.539 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -149.19 -49.53 0.15 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 117.551 0.676 . . . . 0.0 110.863 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.425 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 44.8 t -127.39 179.47 5.46 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 178.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 28.3 p-80 -93.99 9.64 36.71 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.757 0.313 . . . . 0.0 111.627 -178.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.571 ' HG ' ' NE2' ' A' ' 32' ' ' GLN . 0.6 OUTLIER -149.82 163.19 38.68 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 174.111 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.641 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 50.5 tt0 -99.91 139.16 35.98 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.895 0.378 . . . . 0.0 111.126 -176.89 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.594 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -153.19 150.68 29.28 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.638 177.044 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.56 ' O ' ' HB ' ' A' ' 54' ' ' ILE . 15.3 m-85 -106.62 99.51 9.08 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 172.553 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.636 HG22 ' HG3' ' A' ' 30' ' ' GLU . 0.8 OUTLIER -107.55 141.81 21.83 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 C-N-CA 120.048 -0.661 . . . . 0.0 109.917 -175.088 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.616 HD12 HD12 ' A' ' 18' ' ' LEU . 58.0 mt -100.05 132.24 45.52 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.372 -172.413 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.6 ' HB3' ' HB2' ' A' ' 28' ' ' GLN . 22.9 t60 -101.95 101.4 11.81 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.763 -175.2 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 1.044 ' HG ' HG22 ' A' ' 26' ' ' VAL . 5.2 mp -81.94 168.38 17.95 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 173.713 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -76.41 1.38 16.52 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-O 120.804 0.335 . . . . 0.0 111.529 -175.064 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.403 HE21 ' HB2' ' A' ' 49' ' ' GLN . 0.0 OUTLIER -135.24 -2.36 2.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.003 -178.421 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.431 ' HG3' HD13 ' A' ' 47' ' ' LEU . 8.8 ptp180 -175.73 170.95 2.79 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 120.959 -0.296 . . . . 0.0 111.618 -169.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 59.0 m -133.56 138.75 46.2 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.777 172.449 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.436 ' O ' ' HB ' ' A' ' 44' ' ' VAL . 61.5 mt -119.45 144.0 29.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 -178.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.531 ' HA ' ' HB ' ' A' ' 44' ' ' VAL . 33.8 m -100.64 121.8 42.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.417 0.627 . . . . 0.0 110.552 -173.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.56 ' HB ' ' O ' ' A' ' 43' ' ' PHE . 6.2 mt -118.45 141.59 37.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.22 -176.239 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.489 ' CE1' ' HB2' ' A' ' 57' ' ' GLN . 36.1 t-80 -61.59 129.69 91.49 Favored Pre-proline 0 C--N 1.331 -0.196 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.486 174.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.594 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 5.4 Cg_endo -49.49 -43.17 39.85 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.797 2.332 . . . . 0.0 112.393 -177.641 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.489 ' HB2' ' CE1' ' A' ' 55' ' ' HIS . 2.8 mp0 -87.32 82.14 7.68 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 173.046 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.426 ' HA ' ' HD2' ' A' ' 59' ' ' PRO . 64.8 t30 -144.38 126.01 8.04 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 116.638 -0.256 . . . . 0.0 110.603 177.6 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' A' ' 58' ' ' ASN . 9.3 Cg_endo -53.75 -30.81 58.36 Favored 'Trans proline' 0 CA--C 1.531 0.355 0 C-N-CA 123.266 2.644 . . . . 0.0 112.783 178.697 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.3 t -63.3 -33.47 75.59 Favored 'General case' 0 N--CA 1.462 0.129 0 C-N-CA 121.165 -0.214 . . . . 0.0 110.887 -178.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.45 -43.67 31.62 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 67.9 m -60.39 -49.28 78.21 Favored 'General case' 0 C--O 1.241 0.634 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.538 177.657 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.421 ' HG3' ' O ' ' A' ' 59' ' ' PRO . 47.3 mt-30 -61.42 -31.51 71.45 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-O 121.004 0.43 . . . . 0.0 109.951 177.377 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.624 ' CH2' HD21 ' A' ' 72' ' ' LEU . 15.3 t-105 -67.17 -30.28 70.21 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.771 -179.664 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -61.02 -41.92 97.48 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.979 0.418 . . . . 0.0 110.157 174.34 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.402 ' OE1' ' HA ' ' A' ' 63' ' ' GLN . 25.1 mt-10 -66.51 -49.93 64.9 Favored 'General case' 0 C--O 1.239 0.552 0 CA-C-O 121.91 0.862 . . . . 0.0 109.99 176.124 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.437 ' HB3' ' HD3' ' A' ' 71' ' ' LYS . 13.6 m170 -66.12 -44.66 83.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.973 -1.012 . . . . 0.0 111.505 -174.123 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.485 ' HA ' ' CD2' ' A' ' 72' ' ' LEU . 10.9 pt20 -64.25 -28.95 70.08 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.996 0.427 . . . . 0.0 110.287 -177.824 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -68.17 -23.0 64.81 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.688 179.417 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 17.8 ptp180 -111.82 -3.47 14.92 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -178.79 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.437 ' HD3' ' HB3' ' A' ' 67' ' ' HIS . 23.5 mtpp -121.41 -153.27 0.54 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.667 -0.242 . . . . 0.0 110.542 -177.548 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.624 HD21 ' CH2' ' A' ' 64' ' ' TRP . 2.5 mm? . . . . . 0 N--CA 1.467 0.381 0 N-CA-C 112.991 0.737 . . . . 0.0 112.991 -177.201 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 38.0 t . . . . . 0 N--CA 1.45 -0.425 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 71.4 m -106.21 130.61 54.05 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.179 0.514 . . . . 0.0 111.528 -174.143 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.9 p -97.9 4.76 49.52 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.496 176.494 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -144.99 158.64 43.75 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.325 179.119 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.422 HD13 ' HB2' ' A' ' 55' ' ' HIS . 82.3 mt -137.48 143.96 42.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.048 0.451 . . . . 0.0 110.934 -177.016 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -81.82 -36.76 28.0 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.3 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 72.48 -59.36 0.56 Allowed 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.798 0.839 . . . . 0.0 112.294 177.457 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.422 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 26.9 mtpp -62.24 149.77 86.26 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 115.769 -0.65 . . . . 0.0 112.006 -171.52 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 16' ' ' LYS . 24.3 Cg_exo -63.85 122.69 10.83 Favored 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 122.913 2.408 . . . . 0.0 112.063 176.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.772 HD12 HD12 ' A' ' 45' ' ' LEU . 80.9 mt -76.05 172.63 12.44 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.343 179.356 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.484 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 31.7 t -93.63 142.97 26.75 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.735 0.302 . . . . 0.0 110.491 179.307 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -59.07 -28.87 66.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.194 178.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.454 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 58.5 mttp -57.17 -44.99 84.05 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.69 177.646 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.404 ' HG ' ' HB3' ' A' ' 19' ' ' SER . 0.6 OUTLIER -73.95 -35.07 64.51 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-O 121.512 0.672 . . . . 0.0 109.335 -179.737 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' A' ' 19' ' ' SER . 79.0 mt -64.98 -36.36 84.14 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.856 -1.065 . . . . 0.0 111.77 -173.758 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.707 ' HB3' ' HD3' ' A' ' 71' ' ' LYS . 15.6 ptt180 -70.75 4.04 2.79 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 121.057 0.456 . . . . 0.0 111.274 179.248 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.4 mtmt -114.89 6.45 15.41 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.128 178.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.534 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 13.6 t -74.77 141.8 15.5 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.703 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.356 177.845 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.612 HD13 ' HA ' ' A' ' 48' ' ' ALA . 13.6 pt -107.67 -23.51 4.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.327 -179.702 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -155.17 154.32 32.12 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.293 0.568 . . . . 0.0 112.106 -177.378 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -120.21 116.81 51.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.411 170.847 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -122.15 154.49 37.36 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.225 0.536 . . . . 0.0 111.36 -177.43 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 66.3 tp -119.94 124.37 45.82 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.086 -178.224 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.564 ' O ' ' HA ' ' A' ' 41' ' ' GLN . 48.2 tt0 -81.84 115.62 21.13 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 168.782 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -83.09 151.86 25.58 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.742 0.306 . . . . 0.0 110.821 -175.71 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.6 -2.17 18.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.525 -175.511 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -147.96 -30.41 0.3 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.836 176.666 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -70.99 94.38 0.53 Allowed Glycine 0 N--CA 1.449 -0.456 0 CA-C-N 115.832 -0.622 . . . . 0.0 112.744 177.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.7 t70 99.03 -40.68 0.01 OUTLIER 'General case' 0 CA--C 1.507 -0.703 0 C-N-CA 125.234 1.414 . . . . 0.0 108.68 170.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 99.2 m -143.48 171.36 14.26 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 114.74 -1.118 . . . . 0.0 109.955 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 27.3 t60 -106.67 64.86 0.66 Allowed 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 121.064 -0.254 . . . . 0.0 111.523 -175.455 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.533 ' O ' ' HG2' ' A' ' 32' ' ' GLN . 1.1 pp 178.49 149.7 0.23 Allowed 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 171.188 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.564 ' HA ' ' O ' ' A' ' 32' ' ' GLN . 63.0 tt0 -99.3 136.91 38.56 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.742 0.306 . . . . 0.0 110.984 -176.749 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -156.13 136.4 13.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.883 178.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -92.77 122.07 34.8 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 174.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 41.8 t -110.55 122.27 64.78 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-O 121.116 0.484 . . . . 0.0 111.201 -173.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.772 HD12 HD12 ' A' ' 18' ' ' LEU . 50.8 mt -94.61 115.97 28.2 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.731 178.382 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -102.86 102.89 13.02 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.367 -170.084 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.534 ' HA ' ' HA ' ' A' ' 26' ' ' VAL . 6.2 mp -85.71 159.17 19.86 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 172.4 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.612 ' HA ' HD13 ' A' ' 27' ' ' ILE . . . -64.18 -20.98 66.38 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.897 0.379 . . . . 0.0 111.617 -177.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -89.16 -47.78 7.85 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.228 0.537 . . . . 0.0 109.803 -178.779 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.424 ' O ' ' HB2' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -165.27 167.88 17.51 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.333 -0.849 . . . . 0.0 109.855 -179.075 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.6 p -108.59 153.45 23.37 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.037 0.446 . . . . 0.0 111.339 -176.235 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 73.0 mt -120.8 136.93 56.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.266 177.469 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 46.1 m -102.28 121.51 42.42 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.934 0.397 . . . . 0.0 110.073 -175.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.558 HG21 HD23 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -114.17 145.71 19.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-O 121.148 0.499 . . . . 0.0 110.779 -176.208 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.436 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 50.6 t-80 -71.21 133.92 85.33 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.144 174.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 55' ' ' HIS . 24.0 Cg_exo -64.7 179.18 1.42 Allowed 'Trans proline' 0 CA--C 1.528 0.213 0 C-N-CA 122.562 2.175 . . . . 0.0 111.867 177.547 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 23.8 mp0 56.12 28.74 13.46 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 121.203 0.525 . . . . 0.0 110.357 -176.791 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.435 ' HB2' ' O ' ' A' ' 55' ' ' HIS . 64.1 t30 -113.36 127.75 26.46 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.053 -171.761 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.404 ' HD2' ' OD1' ' A' ' 58' ' ' ASN . 76.4 Cg_exo -52.37 -33.5 56.53 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 123.273 2.649 . . . . 0.0 113.361 178.7 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.4 m -55.76 -57.29 12.66 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-O 120.941 0.4 . . . . 0.0 111.0 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.558 HD23 HG21 ' A' ' 54' ' ' ILE . 0.1 OUTLIER -62.2 -36.79 82.99 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.972 178.009 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.533 ' HA ' ' CD2' ' A' ' 65' ' ' PHE . 19.6 m -61.36 -50.81 71.42 Favored 'General case' 0 C--O 1.245 0.863 0 CA-C-O 121.594 0.712 . . . . 0.0 110.875 -178.612 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -60.67 -36.56 79.04 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.364 -0.835 . . . . 0.0 109.874 176.645 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.502 ' HA ' ' HB2' ' A' ' 67' ' ' HIS . 10.5 t-105 -67.65 -30.28 69.79 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.053 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.547 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 15.3 m-85 -53.63 -52.09 61.01 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.043 0.449 . . . . 0.0 110.406 175.046 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.439 ' O ' ' HB3' ' A' ' 69' ' ' GLU . 8.4 mm-40 -79.15 -32.06 44.24 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.415 -0.514 . . . . 0.0 111.943 -179.369 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.502 ' HB2' ' HA ' ' A' ' 64' ' ' TRP . 7.6 m170 -67.39 -35.43 79.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.969 178.367 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.547 ' HG2' ' O ' ' A' ' 65' ' ' PHE . 9.3 pt20 -74.72 -27.09 60.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.216 0.531 . . . . 0.0 110.124 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.439 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 15.0 tp10 -59.35 -33.34 71.03 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.117 175.759 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -113.25 30.95 6.8 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.366 -177.646 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.707 ' HD3' ' HB3' ' A' ' 24' ' ' ARG . 12.6 ttmm -149.89 -150.13 0.33 Allowed 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 110.217 -0.29 . . . . 0.0 110.217 -176.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.531 HD12 ' O ' ' A' ' 26' ' ' VAL . 2.2 mm? . . . . . 0 N--CA 1.466 0.375 0 N-CA-C 112.878 0.696 . . . . 0.0 112.878 -176.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 3.5 t . . . . . 0 N--CA 1.447 -0.59 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.483 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 71.0 m -99.3 118.51 36.13 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.567 -171.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 18.1 p -84.99 2.97 40.67 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.172 173.29 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.483 ' O ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -151.55 167.94 26.48 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.983 -1.008 . . . . 0.0 109.807 -179.548 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.434 HD13 ' HB3' ' A' ' 55' ' ' HIS . 96.7 mt -135.48 152.16 51.09 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.622 0.249 . . . . 0.0 110.892 -177.519 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.427 ' CE2' ' HB2' ' A' ' 16' ' ' LYS . 72.1 t80 -89.26 -41.72 12.02 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 175.73 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 75.3 mtm180 74.85 -51.64 0.67 Allowed 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 115.226 -0.897 . . . . 0.0 112.858 173.538 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.427 ' HB2' ' CE2' ' A' ' 14' ' ' TYR . 47.9 mtmt -63.31 148.94 92.51 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-O 120.482 0.182 . . . . 0.0 111.182 -177.774 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.38 147.8 83.36 Favored 'Trans proline' 0 C--O 1.236 0.423 0 C-N-CA 122.904 2.403 . . . . 0.0 112.359 178.555 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.701 HD12 HD12 ' A' ' 45' ' ' LEU . 69.0 mt -95.62 161.26 14.12 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.11 -175.546 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.699 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 42.4 m -86.73 130.76 34.35 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.13 -178.815 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.421 ' HA ' HD12 ' A' ' 23' ' ' LEU . 14.7 t70 -56.8 -31.44 64.69 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.39 -176.811 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.0 mmtm -63.46 -40.94 98.47 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.908 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.699 ' HG ' ' O ' ' A' ' 19' ' ' SER . 4.5 pp -75.54 -29.94 59.57 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.405 -0.518 . . . . 0.0 109.943 174.689 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.717 ' HB3' ' CH2' ' A' ' 64' ' ' TRP . 73.3 mt -65.86 -42.83 89.91 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.921 -176.257 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 48.8 ptt85 -59.63 -17.51 34.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.803 0.335 . . . . 0.0 111.098 177.171 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.423 ' HE2' ' HA ' ' A' ' 22' ' ' LEU . 50.0 mtmt -97.63 2.3 49.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.976 0.417 . . . . 0.0 110.958 -179.122 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.875 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 17.8 t -71.23 145.06 12.84 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.773 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 173.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.432 HD13 ' HA ' ' A' ' 48' ' ' ALA . 37.1 pt -112.62 -28.81 2.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 C-N-CA 120.896 -0.321 . . . . 0.0 111.453 -178.417 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 74.8 mm-40 -149.4 153.03 36.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.124 0.487 . . . . 0.0 111.616 -177.096 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.7 p -106.68 132.69 53.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.262 -0.881 . . . . 0.0 108.744 170.293 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.441 ' CD ' ' HB2' ' A' ' 46' ' ' HIS . 2.9 pt-20 -128.72 162.43 27.41 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.115 0.483 . . . . 0.0 111.289 -175.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 47.3 tp -134.05 117.78 17.03 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.288 -173.656 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.695 ' O ' ' HA ' ' A' ' 41' ' ' GLN . 60.1 tt0 -74.86 111.1 9.73 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 168.83 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -88.19 145.73 25.75 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 121.102 0.477 . . . . 0.0 111.599 -176.198 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -77.37 0.42 22.48 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.877 -174.548 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -156.44 -27.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 111.79 0.292 . . . . 0.0 111.79 179.722 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -83.1 12.25 50.84 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 120.699 -0.762 . . . . 0.0 113.633 -174.747 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -177.71 -56.62 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.232 0.539 . . . . 0.0 109.946 179.491 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.431 ' SG ' ' HG3' ' A' ' 32' ' ' GLN . 14.4 m -111.59 -166.88 1.12 Allowed 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 176.013 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -114.99 0.15 13.58 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.019 -0.673 . . . . 0.0 111.637 178.59 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -127.66 162.01 27.53 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 175.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.695 ' HA ' ' O ' ' A' ' 32' ' ' GLN . 35.9 tt0 -116.13 134.47 54.9 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.01 0.433 . . . . 0.0 111.811 -173.005 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.606 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -154.61 133.27 12.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.815 178.154 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -85.18 113.56 21.64 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.378 0.608 . . . . 0.0 109.711 174.213 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.5 HG13 ' O ' ' A' ' 52' ' ' ILE . 80.1 t -110.11 137.84 40.58 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.934 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.531 -172.242 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.701 HD12 HD12 ' A' ' 18' ' ' LEU . 82.5 mt -107.57 125.2 51.01 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.2 -177.262 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.441 ' HB2' ' CD ' ' A' ' 30' ' ' GLU . 15.6 t60 -112.84 109.45 18.92 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.645 -0.707 . . . . 0.0 112.174 -168.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.875 ' HA ' ' HA ' ' A' ' 26' ' ' VAL . 5.5 mp -78.87 167.76 20.69 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 171.595 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.432 ' HA ' HD13 ' A' ' 27' ' ' ILE . . . -58.98 -17.6 26.4 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 112.041 0.386 . . . . 0.0 112.041 -177.495 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.404 ' HB2' ' HG3' ' A' ' 50' ' ' ARG . 3.3 mp0 -103.82 -51.28 3.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.807 0.337 . . . . 0.0 110.922 -178.639 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.404 ' HG3' ' HB2' ' A' ' 49' ' ' GLN . 0.0 OUTLIER -147.31 169.62 19.04 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.837 0.31 . . . . 0.0 111.837 -170.6 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.432 ' HB3' ' CG1' ' A' ' 44' ' ' VAL . 53.4 m -112.35 156.98 21.57 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.251 -179.236 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.5 ' O ' HG13 ' A' ' 44' ' ' VAL . 54.4 mt -123.41 143.81 35.19 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 177.149 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 59.2 m -101.73 121.9 42.92 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 121.348 0.594 . . . . 0.0 112.303 -171.041 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 15.0 mt -131.1 143.13 41.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.261 -0.881 . . . . 0.0 109.877 178.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.434 ' HB3' HD13 ' A' ' 13' ' ' LEU . 6.0 p80 -86.16 145.62 40.87 Favored Pre-proline 0 C--N 1.33 -0.255 0 C-N-CA 120.208 -0.597 . . . . 0.0 109.409 177.249 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.606 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 81.8 Cg_exo -43.03 -53.47 4.03 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 124.035 3.157 . . . . 0.0 114.863 -169.676 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -80.91 71.66 7.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.119 0.485 . . . . 0.0 110.918 -177.495 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.404 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 24.1 t-20 -133.43 131.23 21.37 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.402 -178.314 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 58' ' ' ASN . 50.3 Cg_exo -55.68 -35.03 92.37 Favored 'Trans proline' 0 CA--C 1.528 0.194 0 C-N-CA 123.198 2.599 . . . . 0.0 113.13 -178.37 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 10.8 t -73.29 -24.86 60.47 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.749 -0.205 . . . . 0.0 111.055 -175.45 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -79.84 -45.77 18.1 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 -177.312 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.17 -50.87 68.65 Favored 'General case' 0 C--O 1.247 0.965 0 CA-C-O 121.579 0.704 . . . . 0.0 111.175 -178.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.4 pp0? -60.34 -28.23 67.99 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.928 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.717 ' CH2' ' HB3' ' A' ' 23' ' ' LEU . 26.9 t-105 -73.18 -31.11 64.02 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-N 115.476 -0.783 . . . . 0.0 111.058 -179.321 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -56.35 -44.84 80.48 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.487 176.315 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.411 ' O ' ' HB3' ' A' ' 69' ' ' GLU . 51.6 mt-10 -70.68 -40.21 73.06 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-O 121.425 0.631 . . . . 0.0 110.966 178.112 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 62.9 m170 -77.03 -34.96 57.25 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.903 -173.112 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.673 ' HB2' HD22 ' A' ' 72' ' ' LEU . 10.8 pt20 -69.05 -28.18 66.31 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 177.378 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.411 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 34.6 tt0 -61.24 -36.55 80.28 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.157 176.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -97.25 1.37 49.57 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.465 179.347 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.498 ' HD2' ' CH2' ' A' ' 64' ' ' TRP . 60.2 mttm -122.24 -149.72 0.43 Allowed 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 109.252 -0.648 . . . . 0.0 109.252 174.344 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.673 HD22 ' HB2' ' A' ' 68' ' ' GLN . 10.8 mp . . . . . 0 N--CA 1.473 0.681 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 175.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.447 -0.59 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 8.7 t -112.13 148.89 33.02 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 114.917 -1.038 . . . . 0.0 111.178 -169.584 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 21.7 p -121.3 0.98 10.18 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.363 177.464 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.611 ' O ' ' HB2' ' A' ' 53' ' ' CYS . 8.6 mp0 -107.84 97.93 7.58 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 179.011 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.452 HD13 ' HB2' ' A' ' 55' ' ' HIS . 86.9 mt -94.8 112.55 24.27 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.054 0.454 . . . . 0.0 110.457 -177.137 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.554 ' CE2' ' HE2' ' A' ' 16' ' ' LYS . 31.2 t80 -63.59 -57.2 10.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.296 -0.866 . . . . 0.0 111.876 -172.354 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 71.0 mtm180 61.83 71.19 0.55 Allowed 'General case' 0 N--CA 1.468 0.451 0 O-C-N 123.458 0.474 . . . . 0.0 112.105 178.033 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.554 ' HE2' ' CE2' ' A' ' 14' ' ' TYR . 33.3 ttpt -176.02 143.54 0.66 Allowed Pre-proline 0 C--N 1.327 -0.386 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 177.155 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.93 ' HA ' ' HB2' ' A' ' 60' ' ' SER . 49.5 Cg_exo -57.01 122.46 11.86 Favored 'Trans proline' 0 C--O 1.233 0.268 0 C-N-CA 122.34 2.027 . . . . 0.0 112.069 174.118 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.417 HD11 HG21 ' A' ' 52' ' ' ILE . 80.9 mt -83.96 157.04 22.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.579 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.646 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 13.6 m -74.41 131.56 41.19 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.315 178.745 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.491 ' HA ' HD12 ' A' ' 23' ' ' LEU . 18.8 t70 -59.28 -29.24 67.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.134 0.492 . . . . 0.0 110.494 -178.35 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.472 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 13.1 mmmm -57.03 -47.64 80.42 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.379 177.585 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.646 ' HG ' ' O ' ' A' ' 19' ' ' SER . 4.3 pp -75.16 -31.21 60.95 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.162 177.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.575 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 71.9 mt -60.85 -40.77 94.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.706 -177.375 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.502 ' HB3' ' HD3' ' A' ' 71' ' ' LYS . 28.2 ptt180 -64.58 2.31 0.67 Allowed 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -178.598 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.531 ' HB2' HD23 ' A' ' 47' ' ' LEU . 48.7 mtmt -113.63 -0.75 14.22 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.044 178.593 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.621 ' HA ' ' HG ' ' A' ' 47' ' ' LEU . 41.4 t -72.41 105.74 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 179.781 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 35.7 pt -74.11 -32.09 31.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.989 -168.62 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 23.6 mm-40 -150.46 155.33 39.32 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.763 0.316 . . . . 0.0 110.563 178.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 87.1 t -115.42 134.26 59.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.598 176.377 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.414 ' HG2' ' O ' ' A' ' 44' ' ' VAL . 4.7 pt-20 -130.52 141.3 50.49 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.274 0.559 . . . . 0.0 111.436 -175.446 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 44.0 tp -104.48 113.12 26.49 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.886 178.571 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.428 ' O ' ' HA ' ' A' ' 41' ' ' GLN . 52.9 tt0 -79.9 107.83 12.99 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.231 174.491 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -79.29 141.13 37.3 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.079 -176.264 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.679 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . . . -83.2 15.62 2.81 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.583 -0.735 . . . . 0.0 112.194 -174.778 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -157.67 -49.85 0.07 Allowed 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.788 -0.365 . . . . 0.0 111.555 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -62.23 -32.76 83.76 Favored Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.929 -0.653 . . . . 0.0 112.961 -178.712 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -117.29 -65.7 1.16 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.852 0.358 . . . . 0.0 110.244 -178.297 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 35.2 m -113.54 -170.05 1.62 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.322 -176.576 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 7.1 p80 -96.68 -6.16 37.15 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 121.006 -0.278 . . . . 0.0 111.288 178.489 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.0 pp -135.32 153.86 51.72 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 -178.6 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.679 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 59.5 tt0 -98.8 138.07 36.48 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 123.433 0.458 . . . . 0.0 110.588 -176.45 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.513 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -151.96 143.59 23.56 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.099 0.476 . . . . 0.0 111.02 178.678 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.543 ' O ' ' HB ' ' A' ' 54' ' ' ILE . 62.3 m-85 -102.25 100.63 10.84 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 172.197 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.414 ' O ' ' HG2' ' A' ' 30' ' ' GLU . 24.1 t -101.25 125.38 55.23 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.996 0 CA-C-O 121.265 0.555 . . . . 0.0 110.496 -172.83 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 73.1 mt -95.25 115.24 27.16 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.421 -179.066 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -101.95 112.13 24.65 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.177 -169.159 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.621 ' HG ' ' HA ' ' A' ' 26' ' ' VAL . 5.6 mp -100.56 166.36 10.95 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 174.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.38 -11.88 60.37 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.061 0.458 . . . . 0.0 110.926 -176.174 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.41 -23.75 10.14 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.808 -178.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 50' ' ' ARG . 9.9 ptm180 -163.07 171.25 16.71 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.746 -166.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 17.0 m -141.67 128.18 20.13 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.925 0.393 . . . . 0.0 110.456 178.196 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.417 HG21 HD11 ' A' ' 18' ' ' LEU . 4.3 mp -106.35 131.81 55.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 177.115 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.611 ' HB2' ' O ' ' A' ' 12' ' ' GLN . 22.4 m -102.0 120.85 41.08 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.275 0.56 . . . . 0.0 109.908 -177.736 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.547 HG21 ' HB2' ' A' ' 61' ' ' LEU . 1.8 mt -106.69 128.85 61.04 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.968 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.108 -177.321 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.452 ' HB2' HD13 ' A' ' 13' ' ' LEU . 25.0 t-80 -68.38 130.47 92.21 Favored Pre-proline 0 C--N 1.323 -0.583 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 170.284 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.513 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 72.4 Cg_exo -49.56 148.64 11.17 Favored 'Trans proline' 0 N--CA 1.467 -0.082 0 C-N-CA 122.285 1.99 . . . . 0.0 111.82 177.227 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.474 ' HB2' ' O ' ' A' ' 56' ' ' PRO . 47.5 mt-30 78.46 20.3 0.88 Allowed 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.168 0.587 . . . . 0.0 110.369 -175.751 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -94.58 122.53 60.67 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.364 174.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_exo -50.48 -38.72 54.49 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 123.342 2.695 . . . . 0.0 113.096 -175.312 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.93 ' HB2' ' HA ' ' A' ' 17' ' ' PRO . 12.3 t -62.93 -23.88 67.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.634 -176.008 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.547 ' HB2' HG21 ' A' ' 54' ' ' ILE . 0.6 OUTLIER -80.04 -46.73 16.06 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 -179.056 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.0 t -59.24 -49.78 76.53 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.462 177.115 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -59.66 -36.37 76.29 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.701 177.258 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.575 ' CZ3' ' HB3' ' A' ' 23' ' ' LEU . 15.7 t-105 -66.78 -40.36 88.14 Favored 'General case' 0 C--O 1.223 -0.332 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.336 -178.462 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -58.92 -35.23 72.72 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 120.608 -0.437 . . . . 0.0 111.077 179.638 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -79.53 -41.61 26.93 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.088 0.471 . . . . 0.0 110.576 176.16 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.548 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 8.5 m170 -61.56 -46.98 87.6 Favored 'General case' 0 C--O 1.223 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.26 179.718 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.417 ' HG2' ' O ' ' A' ' 64' ' ' TRP . 3.6 pt20 -67.02 -26.24 66.68 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-O 120.585 0.231 . . . . 0.0 110.591 -178.776 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -60.1 -33.49 72.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.45 0.643 . . . . 0.0 109.682 176.792 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 70' ' ' ARG . 19.5 ptt-85 -114.55 32.25 6.09 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.925 177.249 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.548 ' HB2' ' O ' ' A' ' 67' ' ' HIS . 9.1 ttmm -146.12 -166.65 2.52 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 -178.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.1 mp . . . . . 0 N--CA 1.47 0.562 0 N-CA-C 112.651 0.612 . . . . 0.0 112.651 -175.973 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.543 ' HA ' ' OE1' ' A' ' 32' ' ' GLN . 42.6 t . . . . . 0 N--CA 1.451 -0.382 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.451 ' SG ' ' NE2' ' A' ' 12' ' ' GLN . 8.1 t -110.83 130.84 55.46 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.108 -172.723 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 33.7 p -91.8 -59.33 2.15 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.703 -175.569 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.451 ' NE2' ' SG ' ' A' ' 10' ' ' CYS . 0.2 OUTLIER -80.24 161.6 25.07 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.045 0.45 . . . . 0.0 111.398 178.66 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 96.7 mt -132.45 138.91 47.79 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.266 -178.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.518 ' CE2' ' HB2' ' A' ' 16' ' ' LYS . 30.9 t80 -75.93 -49.89 16.51 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.2 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 50.3 mtt180 72.1 -24.93 0.18 Allowed 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 172.312 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.518 ' HB2' ' CE2' ' A' ' 14' ' ' TYR . 34.2 mmtp -71.32 149.9 94.11 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-O 120.897 0.379 . . . . 0.0 111.461 -178.383 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.521 ' HA ' ' OG ' ' A' ' 60' ' ' SER . 20.7 Cg_exo -66.98 122.66 10.02 Favored 'Trans proline' 0 C--O 1.234 0.292 0 C-N-CA 123.162 2.575 . . . . 0.0 112.274 178.527 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.917 ' HB3' HD11 ' A' ' 22' ' ' LEU . 85.6 mt -86.5 136.77 32.96 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.047 178.009 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.688 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 23.3 m -72.13 146.6 47.36 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.05 -178.729 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.525 ' HA ' HD12 ' A' ' 23' ' ' LEU . 34.9 t70 -59.35 -29.06 67.4 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 121.297 0.57 . . . . 0.0 111.113 -177.76 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.573 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 60.4 mttm -57.31 -45.87 83.75 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.584 179.27 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.917 HD11 ' HB3' ' A' ' 18' ' ' LEU . 4.1 pp -76.82 -27.48 55.19 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 121.036 -0.266 . . . . 0.0 111.235 174.255 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.676 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 74.6 mt -62.77 -38.63 91.39 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.781 -0.19 . . . . 0.0 111.49 -176.571 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.573 ' HG2' ' O ' ' A' ' 21' ' ' LYS . 24.4 ptt180 -59.86 -5.85 1.09 Allowed 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 120.87 0.367 . . . . 0.0 111.8 178.352 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.562 ' HD3' ' HA ' ' A' ' 22' ' ' LEU . 22.4 mtpp -106.65 -8.29 16.98 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.75 -178.333 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.864 HG22 ' HG ' ' A' ' 47' ' ' LEU . 21.4 t -80.82 86.15 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.952 179.405 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 22.4 pt -70.24 -22.83 24.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.63 -0.714 . . . . 0.0 112.868 -172.447 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -142.02 157.43 44.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.025 0.441 . . . . 0.0 111.348 -176.416 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 57.4 t -120.5 122.75 68.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.586 176.3 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.423 ' HG3' ' HB2' ' A' ' 46' ' ' HIS . 5.9 mt-10 -109.28 149.86 28.82 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 -175.567 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 55.1 tp -130.06 120.34 24.53 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-O 120.928 0.394 . . . . 0.0 110.711 179.534 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.543 ' OE1' ' HA ' ' A' ' 9' ' ' CYS . 8.8 tt0 -84.51 105.45 15.33 Favored 'General case' 0 N--CA 1.445 -0.71 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 170.59 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -61.41 151.76 31.56 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.836 178.319 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.525 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . . . -74.16 18.7 0.14 Allowed 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 113.11 0.782 . . . . 0.0 113.11 -169.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -177.93 -34.74 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.476 0.179 . . . . 0.0 110.773 -175.154 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -46.62 -67.79 1.3 Allowed Glycine 0 C--N 1.336 0.548 0 O-C-N 123.98 0.8 . . . . 0.0 114.34 -175.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -88.2 -51.71 5.62 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 69.6 m -142.55 155.62 45.03 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.599 -1.182 . . . . 0.0 108.707 175.181 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 6.6 p-80 -79.77 77.55 6.4 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.233 0.54 . . . . 0.0 111.526 -178.515 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.9 tt -168.89 125.52 0.96 Allowed 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 176.366 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.525 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 59.0 tt0 -91.58 117.14 29.46 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.684 0.278 . . . . 0.0 110.348 -178.777 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.568 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -146.33 132.72 19.62 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.902 0.382 . . . . 0.0 111.536 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.775 ' HB3' ' HG ' ' A' ' 61' ' ' LEU . 2.2 m-85 -91.58 113.6 25.91 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 172.812 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 62.0 t -108.77 130.18 62.04 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.94 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.656 -171.465 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.631 HD12 HD12 ' A' ' 18' ' ' LEU . 24.1 mt -92.31 118.34 30.81 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.169 0.509 . . . . 0.0 110.867 -178.612 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.423 ' HB2' ' HG3' ' A' ' 30' ' ' GLU . 61.5 t60 -96.67 97.82 9.67 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.512 -176.832 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.864 ' HG ' HG22 ' A' ' 26' ' ' VAL . 5.7 mp -80.47 162.14 24.54 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 174.318 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.56 -9.18 12.04 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -179.677 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.405 ' HB2' ' HD2' ' A' ' 50' ' ' ARG . 0.2 OUTLIER -107.72 -48.83 3.34 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.705 -0.479 . . . . 0.0 109.705 179.076 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.405 ' HD2' ' HB2' ' A' ' 49' ' ' GLN . 0.0 OUTLIER -153.25 169.53 22.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.022 -173.332 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 56.2 m -108.04 141.73 39.27 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.586 175.716 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 63.9 mt -118.57 140.55 41.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 176.669 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 63.0 m -100.52 125.14 46.83 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.535 0.683 . . . . 0.0 110.895 -172.239 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.635 HD13 ' HB2' ' A' ' 60' ' ' SER . 33.3 mt -127.24 147.26 32.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 114.964 -1.016 . . . . 0.0 110.919 -173.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.461 ' O ' ' HB2' ' A' ' 58' ' ' ASN . 31.9 t-80 -60.36 137.06 91.96 Favored Pre-proline 0 C--N 1.327 -0.374 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 174.312 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.568 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 4.1 Cg_endo -48.04 -62.06 0.5 Allowed 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.593 2.195 . . . . 0.0 112.184 179.221 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 25.6 mp0 -84.02 79.95 9.33 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 172.513 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.461 ' HB2' ' O ' ' A' ' 55' ' ' HIS . 3.1 t30 -134.63 137.28 27.23 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.656 177.661 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -46.61 -44.14 21.81 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 123.236 2.624 . . . . 0.0 112.944 -178.497 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.635 ' HB2' HD13 ' A' ' 54' ' ' ILE . 1.0 OUTLIER -56.13 -46.16 79.28 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.81 -178.834 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.775 ' HG ' ' HB3' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -77.61 -41.28 39.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.741 -172.703 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 9.4 t -72.47 -43.02 64.3 Favored 'General case' 0 C--O 1.239 0.536 0 CA-C-O 120.97 0.415 . . . . 0.0 111.13 -175.646 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -63.97 -28.29 69.72 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 175.367 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.676 ' CZ3' ' HB3' ' A' ' 23' ' ' LEU . 10.3 t-105 -61.31 -39.22 89.69 Favored 'General case' 0 C--O 1.218 -0.568 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.345 176.355 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -56.09 -40.08 73.1 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 121.117 -0.233 . . . . 0.0 110.682 176.296 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.483 ' HB3' HH21 ' A' ' 70' ' ' ARG . 44.9 mt-10 -65.55 -50.79 63.88 Favored 'General case' 0 C--O 1.24 0.557 0 CA-C-O 121.894 0.854 . . . . 0.0 110.223 174.362 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.631 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 11.5 m-70 -65.93 -50.23 65.16 Favored 'General case' 0 C--O 1.219 -0.503 0 CA-C-N 114.817 -1.083 . . . . 0.0 111.509 -173.284 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.505 ' HB3' ' CE2' ' A' ' 64' ' ' TRP . 3.9 pt20 -61.62 -32.59 72.73 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 120.899 0.381 . . . . 0.0 110.789 -177.471 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -55.5 -37.24 67.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.6 177.157 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.483 HH21 ' HB3' ' A' ' 66' ' ' GLU . 1.1 ptt180 -114.53 30.83 7.04 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.329 -0.851 . . . . 0.0 111.261 178.399 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.631 ' HB2' ' O ' ' A' ' 67' ' ' HIS . 5.8 tppt? -136.99 -157.55 0.79 Allowed 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 -176.68 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.549 HD21 ' CZ2' ' A' ' 64' ' ' TRP . 1.8 mm? . . . . . 0 N--CA 1.465 0.315 0 N-CA-C 114.116 1.154 . . . . 0.0 114.116 -176.652 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 44.4 m . . . . . 0 N--CA 1.451 -0.415 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 59.9 m -72.52 116.16 12.66 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.21 -174.186 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.2 p -93.62 -2.38 54.15 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-O 121.633 0.73 . . . . 0.0 109.932 173.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.65 157.21 47.23 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.972 -1.013 . . . . 0.0 110.103 177.832 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.463 HD13 ' HB2' ' A' ' 55' ' ' HIS . 96.0 mt -134.67 127.45 31.12 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 -178.172 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.415 ' CD2' ' HB3' ' A' ' 16' ' ' LYS . 10.2 t80 -69.38 -48.8 60.09 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 -178.248 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.54 ' HA ' ' OD1' ' A' ' 58' ' ' ASN . 68.0 mtm180 59.87 17.39 6.47 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.573 174.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.415 ' HB3' ' CD2' ' A' ' 14' ' ' TYR . 48.8 tttm -122.77 136.24 26.56 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.931 -174.723 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -53.13 127.46 25.16 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.906 2.404 . . . . 0.0 112.319 179.015 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.87 ' HB3' HD11 ' A' ' 22' ' ' LEU . 78.2 mt -85.07 139.85 31.43 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.486 -178.102 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.69 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 15.2 m -63.18 139.92 58.82 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.661 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.534 ' HA ' HD12 ' A' ' 23' ' ' LEU . 12.0 t70 -66.16 -26.72 67.56 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.797 0.332 . . . . 0.0 111.445 -175.099 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.609 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 98.3 mttt -57.84 -47.88 81.39 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.823 176.196 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.87 HD11 ' HB3' ' A' ' 18' ' ' LEU . 4.5 pp -72.96 -27.65 61.94 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.568 -0.453 . . . . 0.0 109.97 176.562 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.534 HD12 ' HA ' ' A' ' 20' ' ' ASP . 21.7 mt -60.04 -40.72 90.38 Favored 'General case' 0 C--O 1.225 -0.234 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.869 179.34 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.628 ' HB3' ' HD2' ' A' ' 71' ' ' LYS . 16.3 ptp180 -71.01 4.64 2.51 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 122.079 -0.388 . . . . 0.0 111.495 -179.29 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.406 ' HB3' HE22 ' A' ' 49' ' ' GLN . 51.5 mtmt -119.46 8.06 11.28 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.949 175.73 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.851 HG22 ' HG ' ' A' ' 47' ' ' LEU . 25.2 t -85.17 101.63 9.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 109.157 -0.682 . . . . 0.0 109.157 177.016 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 39.0 pt -81.59 -25.97 9.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -170.556 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 25.1 mm-40 -147.55 157.38 43.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.008 0.432 . . . . 0.0 111.121 -177.423 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.46 HG13 HD23 ' A' ' 45' ' ' LEU . 35.6 t -118.84 126.06 74.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 174.702 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.644 ' HG3' ' HB ' ' A' ' 44' ' ' VAL . 13.8 pt-20 -120.3 147.8 44.53 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.191 0.519 . . . . 0.0 110.524 -177.746 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 52.0 tp -114.86 128.79 56.5 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.442 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.517 ' O ' ' HA ' ' A' ' 41' ' ' GLN . 6.2 tt0 -87.01 103.58 15.49 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 107.547 -1.279 . . . . 0.0 107.547 170.373 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.515 ' HB2' ' H ' ' A' ' 37' ' ' ASP . 42.5 mt-10 -61.17 152.33 28.96 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 179.787 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.647 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . . . -69.27 1.82 3.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.235 -173.314 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -168.33 -36.0 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.684 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -56.24 -54.69 33.9 Favored Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 115.389 -0.823 . . . . 0.0 113.278 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.515 ' H ' ' HB2' ' A' ' 33' ' ' GLU . 19.7 m-20 -86.16 -45.93 10.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.989 0.424 . . . . 0.0 110.595 179.392 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.49 ' HB3' ' OE1' ' A' ' 32' ' ' GLN . 2.6 t -156.99 -176.03 5.75 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 -179.419 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 61.7 t60 -81.88 10.08 7.01 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.028 0.442 . . . . 0.0 111.34 -175.651 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.7 tt -136.39 136.61 39.75 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 -175.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.647 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 30.1 tt0 -93.29 120.44 33.58 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.351 176.361 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.556 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -148.11 140.38 24.26 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.081 -179.399 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -91.23 113.64 25.96 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 172.761 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.644 ' HB ' ' HG3' ' A' ' 30' ' ' GLU . 66.1 t -108.37 125.16 65.15 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.862 0 CA-C-O 121.141 0.496 . . . . 0.0 110.608 -173.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.729 HD12 HD12 ' A' ' 18' ' ' LEU . 61.9 mt -92.56 121.96 34.51 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.868 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -103.06 101.86 11.86 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.342 -171.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.851 ' HG ' HG22 ' A' ' 26' ' ' VAL . 5.6 mp -83.09 165.21 19.75 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 174.777 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.78 -10.2 59.43 Favored 'General case' 0 C--N 1.318 -0.773 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.953 -179.31 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.406 HE22 ' HB3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -126.48 -6.19 6.43 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.646 179.138 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.53 ' HD2' HD22 ' A' ' 47' ' ' LEU . 50.1 mtt180 -145.41 161.42 39.72 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 -168.181 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 12.8 m -137.17 123.24 20.33 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 168.181 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 67.5 mt -120.28 136.71 56.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 120.564 0.221 . . . . 0.0 110.447 -175.034 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 64.5 m -100.29 120.39 39.85 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.594 0.711 . . . . 0.0 110.427 -174.255 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.464 HG23 ' HB2' ' A' ' 58' ' ' ASN . 1.0 OUTLIER -120.34 141.92 38.47 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.742 -176.839 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.504 ' O ' ' HB2' ' A' ' 58' ' ' ASN . 84.8 t60 -76.95 130.1 76.74 Favored Pre-proline 0 C--N 1.325 -0.473 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 176.502 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.556 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 45.7 Cg_exo -36.93 -48.13 1.48 Allowed 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 123.778 2.985 . . . . 0.0 114.328 -176.184 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 26.1 mm-40 -80.62 53.4 1.86 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.475 0.655 . . . . 0.0 111.169 178.277 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.54 ' OD1' ' HA ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -112.36 112.28 51.98 Favored Pre-proline 0 C--N 1.319 -0.76 0 CA-C-N 115.304 -0.862 . . . . 0.0 108.952 174.744 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -54.29 -24.77 35.79 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.43 2.087 . . . . 0.0 110.807 175.564 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.9 m -53.42 -41.62 66.21 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.043 -0.98 . . . . 0.0 111.503 173.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.453 HD23 HG21 ' A' ' 54' ' ' ILE . 0.2 OUTLIER -73.38 -40.75 64.1 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-O 121.044 0.45 . . . . 0.0 109.934 -177.246 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.9 t -69.16 -42.3 76.11 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.743 0.782 . . . . 0.0 109.666 -179.338 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -63.05 -29.04 70.5 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.732 -1.122 . . . . 0.0 110.113 177.663 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.507 ' CE2' ' HB3' ' A' ' 68' ' ' GLN . 16.6 t-105 -69.88 -38.01 76.24 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.36 176.631 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -54.78 -38.37 67.18 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.97 0.414 . . . . 0.0 110.438 175.673 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -69.43 -51.71 33.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.567 0.699 . . . . 0.0 110.518 175.073 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.731 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 10.4 m170 -69.48 -30.49 68.37 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.596 -0.729 . . . . 0.0 112.316 -172.749 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.507 ' HB3' ' CE2' ' A' ' 64' ' ' TRP . 13.2 pt20 -73.84 -30.24 62.57 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 117.99 0.359 . . . . 0.0 110.13 177.619 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -60.08 -31.4 69.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.584 176.542 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 10.6 ptp180 -112.22 32.66 5.38 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.654 178.181 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.731 ' HB2' ' O ' ' A' ' 67' ' ' HIS . 0.2 OUTLIER -130.61 -149.98 0.41 Allowed 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.904 -176.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.792 HD13 ' H ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.472 0.64 0 O-C-N 124.728 1.268 . . . . 0.0 114.356 -176.084 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.416 ' HA ' ' HB2' ' A' ' 38' ' ' CYS . 36.8 t . . . . . 0 N--CA 1.449 -0.51 0 N-CA-C 107.701 -1.222 . . . . 0.0 107.701 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 18.7 m -61.98 118.93 7.92 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 114.408 -1.269 . . . . 0.0 111.974 -176.224 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 18.7 p -80.28 -44.22 19.97 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.442 170.831 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -79.44 153.89 29.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.314 172.209 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 91.7 mt -142.74 143.02 32.06 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.225 -178.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.662 ' CE2' ' HB2' ' A' ' 16' ' ' LYS . 54.6 t80 -73.11 -56.44 5.11 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.731 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 28.5 ttp180 72.35 -16.98 0.4 Allowed 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 115.556 -0.747 . . . . 0.0 112.879 172.155 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.662 ' HB2' ' CE2' ' A' ' 14' ' ' TYR . 65.5 mttm -84.27 145.57 45.96 Favored Pre-proline 0 C--N 1.322 -0.623 0 O-C-N 121.84 -0.537 . . . . 0.0 110.079 175.749 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.681 ' HA ' ' HB2' ' A' ' 60' ' ' SER . 32.5 Cg_exo -59.39 135.71 66.99 Favored 'Trans proline' 0 C--O 1.237 0.449 0 C-N-CA 122.558 2.172 . . . . 0.0 112.043 177.529 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.699 HD12 HD12 ' A' ' 45' ' ' LEU . 80.6 mt -88.94 152.34 21.77 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.735 -179.133 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 25.0 m -75.74 146.29 40.18 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.88 -179.655 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.413 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 30.2 t70 -58.52 -31.08 67.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.099 -178.381 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 51.8 mttp -55.21 -46.41 75.92 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.487 177.205 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.402 ' HG ' ' H ' ' A' ' 22' ' ' LEU . 0.3 OUTLIER -73.24 -35.7 66.29 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.893 179.406 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.551 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 76.5 mt -63.99 -44.73 91.81 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.1 -175.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.453 ' HB3' ' HD2' ' A' ' 71' ' ' LYS . 17.4 ptm180 -69.81 4.17 2.14 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 121.371 0.605 . . . . 0.0 111.275 177.422 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.6 mtpt -112.06 -2.68 14.96 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.264 179.148 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.74 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 55.8 t -74.13 152.3 7.06 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.672 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.209 175.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 12.0 pt -117.37 -38.67 2.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.134 177.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 58.5 mm-40 -148.37 157.17 43.32 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 120.972 0.415 . . . . 0.0 110.978 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.431 HG13 HD23 ' A' ' 45' ' ' LEU . 43.3 t -108.66 121.28 61.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 172.674 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.739 ' HG3' ' HB ' ' A' ' 44' ' ' VAL . 10.7 pt-20 -106.26 113.02 26.3 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-O 121.553 0.692 . . . . 0.0 110.367 -177.608 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 47.4 tp -82.21 105.55 13.39 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.657 -179.175 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -74.61 104.28 5.23 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.132 172.575 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -77.49 158.52 29.9 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.924 0.392 . . . . 0.0 111.494 -178.293 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.623 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . . . -80.23 3.0 22.22 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.481 -177.598 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -146.56 -45.1 0.19 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.066 177.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -59.25 -63.8 4.84 Favored Glycine 0 CA--C 1.519 0.33 0 C-N-CA 121.19 -0.529 . . . . 0.0 113.507 -178.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -85.78 -49.78 7.66 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.271 0.557 . . . . 0.0 110.935 -176.462 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.416 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 42.7 t -135.42 -171.6 2.87 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 -175.331 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 12.3 p-80 -104.59 16.93 25.09 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.559 0.695 . . . . 0.0 109.992 174.505 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.5 tt -142.75 130.78 21.81 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.116 -0.947 . . . . 0.0 108.495 178.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.623 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 60.5 tt0 -83.29 129.81 35.03 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.686 0.279 . . . . 0.0 110.82 -177.336 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.564 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -148.0 146.68 29.02 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.791 179.452 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.779 ' HB3' ' HG ' ' A' ' 61' ' ' LEU . 22.7 m-85 -99.33 101.14 12.33 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 174.626 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.739 ' HB ' ' HG3' ' A' ' 30' ' ' GLU . 23.2 t -98.96 131.52 46.03 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.567 -173.664 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.699 HD12 HD12 ' A' ' 18' ' ' LEU . 66.7 mt -100.49 123.73 45.08 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.39 -178.616 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -104.43 108.54 20.01 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.594 -175.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.74 ' HA ' ' HA ' ' A' ' 26' ' ' VAL . 6.2 mp -89.31 166.61 13.65 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 176.272 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.12 -7.45 46.67 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.033 0.383 . . . . 0.0 112.033 -174.585 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.423 ' NE2' ' HB3' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -138.57 8.69 2.62 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 113.021 0.749 . . . . 0.0 113.021 177.947 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.432 ' HG2' ' HB2' ' A' ' 47' ' ' LEU . 10.8 ptm180 -168.35 168.28 11.44 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 120.511 -0.476 . . . . 0.0 111.873 -178.095 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.5 m -132.3 139.86 48.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.807 177.453 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 72.2 mt -132.45 132.78 60.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 179.147 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 92.4 m -101.36 121.05 41.22 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.612 0.72 . . . . 0.0 110.924 -175.837 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.401 ' HB ' ' O ' ' A' ' 43' ' ' PHE . 0.9 OUTLIER -109.14 140.63 27.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.395 -0.82 . . . . 0.0 111.17 -177.633 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.466 ' O ' ' HB2' ' A' ' 58' ' ' ASN . 26.8 t-80 -71.39 126.3 91.79 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.816 173.666 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.564 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 50.0 Cg_exo -56.42 161.75 9.0 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.765 2.31 . . . . 0.0 111.351 177.567 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.466 ' HB2' ' O ' ' A' ' 56' ' ' PRO . 2.4 mp0 66.02 58.98 0.72 Allowed 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 -170.416 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.466 ' HB2' ' O ' ' A' ' 55' ' ' HIS . 13.1 t-20 -141.39 128.62 11.74 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-N 114.527 -1.215 . . . . 0.0 110.567 -174.799 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 58' ' ' ASN . 39.6 Cg_exo -56.92 -34.58 97.48 Favored 'Trans proline' 0 N--CA 1.463 -0.297 0 C-N-CA 122.885 2.39 . . . . 0.0 112.86 -178.737 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.681 ' HB2' ' HA ' ' A' ' 17' ' ' PRO . 20.7 t -65.33 -37.82 88.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.879 -0.146 . . . . 0.0 111.137 -175.332 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.779 ' HG ' ' HB3' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -79.53 -44.8 20.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.625 0.25 . . . . 0.0 110.478 -177.573 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.1 t -60.21 -50.63 72.88 Favored 'General case' 0 C--O 1.243 0.713 0 CA-C-O 121.401 0.619 . . . . 0.0 110.349 179.596 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -64.14 -28.95 70.11 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.038 177.766 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.551 ' CZ3' ' HB3' ' A' ' 23' ' ' LEU . 26.4 t-105 -67.89 -37.06 81.29 Favored 'General case' 0 C--O 1.219 -0.538 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.693 179.357 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.631 ' HA ' HE21 ' A' ' 68' ' ' GLN . 2.7 m-85 -55.48 -46.57 76.85 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.924 0.392 . . . . 0.0 110.217 176.218 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -64.82 -48.62 73.72 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-O 121.72 0.772 . . . . 0.0 110.085 175.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.484 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 40.2 m170 -63.92 -43.81 94.81 Favored 'General case' 0 C--O 1.215 -0.743 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.959 -175.129 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.631 HE21 ' HA ' ' A' ' 65' ' ' PHE . 30.3 pt20 -62.73 -35.28 79.25 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 117.648 0.204 . . . . 0.0 110.972 -175.837 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -53.06 -42.93 66.28 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-O 121.309 0.576 . . . . 0.0 109.52 173.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 70' ' ' ARG . 1.5 ptp180 -114.89 26.22 10.33 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 -176.491 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.484 ' HB2' ' O ' ' A' ' 67' ' ' HIS . 14.9 tppt? -104.22 -99.03 0.31 Allowed 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 120.297 -0.561 . . . . 0.0 111.539 -176.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.731 HD13 ' H ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.332 -0.163 0 CA-C-O 120.743 0.306 . . . . 0.0 110.513 170.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.507 ' HA ' ' CB ' ' A' ' 38' ' ' CYS . 45.5 t . . . . . 0 CA--C 1.516 -0.342 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -115.75 119.43 36.03 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.78 -170.827 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 20.9 p -90.62 6.17 44.94 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.896 0.379 . . . . 0.0 111.743 -178.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -155.57 159.36 39.62 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.044 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.451 HD13 ' HA ' ' A' ' 55' ' ' HIS . 85.2 mt -124.8 142.25 51.55 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 178.742 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.453 ' CE2' ' HB3' ' A' ' 16' ' ' LYS . 25.9 t80 -66.46 -33.33 75.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.815 0.34 . . . . 0.0 110.278 -177.567 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 62.7 mtm180 59.19 27.21 16.15 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.899 173.461 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.453 ' HB3' ' CE2' ' A' ' 14' ' ' TYR . 61.0 tttp -146.47 136.45 11.94 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.823 -179.05 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -60.25 144.39 99.5 Favored 'Trans proline' 0 C--O 1.233 0.241 0 C-N-CA 122.529 2.153 . . . . 0.0 111.682 176.066 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.595 ' HB3' HD11 ' A' ' 22' ' ' LEU . 84.8 mt -94.38 159.99 14.87 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.907 -176.475 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.624 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 18.1 m -81.18 137.91 35.88 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.466 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.56 ' HA ' HD12 ' A' ' 23' ' ' LEU . 21.1 t70 -62.43 -29.23 70.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.93 0.395 . . . . 0.0 111.938 -173.523 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.523 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 91.8 mttt -63.51 -46.29 86.73 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.824 -179.221 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.624 ' HG ' ' O ' ' A' ' 19' ' ' SER . 4.4 pp -73.94 -26.73 60.65 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 176.378 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.56 HD12 ' HA ' ' A' ' 20' ' ' ASP . 18.2 mt -60.54 -46.77 88.94 Favored 'General case' 0 C--O 1.221 -0.443 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.599 179.076 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.523 ' HG2' ' O ' ' A' ' 21' ' ' LYS . 5.8 ptm180 -59.74 -7.81 1.77 Allowed 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 -177.808 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.4 mtmt -98.44 -7.02 29.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.828 0.347 . . . . 0.0 110.76 178.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.88 HG22 ' HG ' ' A' ' 47' ' ' LEU . 46.5 t -74.3 120.74 24.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 -178.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 26.8 pt -100.54 -21.55 5.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -169.389 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.518 ' HB2' ' HB3' ' A' ' 46' ' ' HIS . 82.5 mm-40 -144.47 155.96 43.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.007 0.432 . . . . 0.0 111.279 -178.097 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.5 t -127.1 118.11 49.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 175.29 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -125.7 144.3 50.67 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.225 0.536 . . . . 0.0 111.434 -174.814 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 57.4 tp -103.56 127.33 51.0 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.017 -177.288 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.549 ' NE2' ' HB3' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -97.42 119.08 35.3 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 173.244 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -78.98 162.23 26.1 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.946 0.403 . . . . 0.0 111.877 -170.648 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.527 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . . . -78.49 6.28 8.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.874 -174.859 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.443 ' HA ' ' HA ' ' A' ' 39' ' ' HIS . 27.5 t70 -174.08 139.04 0.62 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.192 -178.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 137.26 -111.84 0.87 Allowed Glycine 0 N--CA 1.445 -0.728 0 N-CA-C 111.468 -0.653 . . . . 0.0 111.468 -177.569 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -63.94 -45.79 87.63 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 175.717 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.549 ' HB3' ' NE2' ' A' ' 32' ' ' GLN . 0.5 OUTLIER -136.15 126.97 27.44 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.662 -1.154 . . . . 0.0 108.388 178.517 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.443 ' HA ' ' HA ' ' A' ' 35' ' ' ASP . 8.8 p-80 -90.13 73.56 7.22 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 112.864 0.69 . . . . 0.0 112.864 -172.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.429 HD22 ' O ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -175.01 139.14 0.47 Allowed 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.353 171.35 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.527 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 8.6 tt0 -79.81 127.55 32.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.732 0.301 . . . . 0.0 110.828 -173.376 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.431 ' HB3' ' HB3' ' A' ' 32' ' ' GLN . . . -148.27 138.97 22.94 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.145 -179.595 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.453 ' HB2' HG22 ' A' ' 54' ' ' ILE . 19.0 m-85 -101.92 111.43 23.69 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 173.425 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 14.5 t -105.09 125.55 60.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-O 121.344 0.592 . . . . 0.0 111.263 -171.114 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.49 HD12 HD12 ' A' ' 18' ' ' LEU . 73.3 mt -95.94 124.1 39.82 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.123 179.505 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.518 ' HB3' ' HB2' ' A' ' 28' ' ' GLN . 3.5 t-160 -99.92 99.2 9.94 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.782 -171.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.88 ' HG ' HG22 ' A' ' 26' ' ' VAL . 6.3 mp -83.17 170.21 14.98 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 175.135 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.39 -20.23 66.01 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -172.293 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.59 11.26 3.74 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.85 -175.488 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.9 ptp180 -171.54 166.32 6.8 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 120.641 0.258 . . . . 0.0 111.122 -177.668 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.7 m -132.08 138.66 48.23 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 175.593 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 66.2 mt -121.87 137.44 55.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.355 -0.384 . . . . 0.0 109.99 -178.306 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 72.4 m -101.4 121.51 42.05 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.5 0.666 . . . . 0.0 110.521 -177.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.453 HG22 ' HB2' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -109.51 147.23 14.1 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.866 0 CA-C-N 114.901 -1.045 . . . . 0.0 110.149 -176.742 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.66 ' O ' ' HB2' ' A' ' 58' ' ' ASN . 22.1 t-80 -65.41 131.46 94.93 Favored Pre-proline 0 C--N 1.326 -0.435 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 175.5 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -53.09 141.17 58.68 Favored 'Trans proline' 0 CA--C 1.526 0.117 0 C-N-CA 122.961 2.44 . . . . 0.0 112.817 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 70.43 12.63 7.48 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.85 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.66 ' HB2' ' O ' ' A' ' 55' ' ' HIS . 0.7 OUTLIER -71.28 139.59 84.64 Favored Pre-proline 0 C--N 1.329 -0.284 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 175.692 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -51.46 -40.3 63.03 Favored 'Trans proline' 0 C--O 1.224 -0.214 0 C-N-CA 123.227 2.618 . . . . 0.0 112.644 -178.724 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 12.3 t -62.66 -26.63 68.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.491 -177.221 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.413 HD22 HD21 ' A' ' 45' ' ' LEU . 0.4 OUTLIER -80.05 -46.76 15.99 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 34.1 t -64.09 -50.3 68.85 Favored 'General case' 0 C--O 1.242 0.691 0 CA-C-O 121.409 0.623 . . . . 0.0 110.76 179.043 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -60.73 -28.75 68.91 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.302 178.698 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.619 ' CE2' ' HB3' ' A' ' 68' ' ' GLN . 26.7 t-105 -67.27 -37.46 83.49 Favored 'General case' 0 N--CA 1.447 -0.62 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.885 179.128 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -53.66 -43.65 68.99 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 121.064 0.459 . . . . 0.0 110.005 176.195 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.496 ' O ' ' HB3' ' A' ' 69' ' ' GLU . 54.5 mt-10 -67.5 -49.45 63.44 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-O 121.826 0.822 . . . . 0.0 110.659 177.811 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.42 ' HB3' ' CE ' ' A' ' 71' ' ' LYS . 13.3 m170 -65.33 -49.2 70.33 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.196 -0.911 . . . . 0.0 111.712 -172.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.619 ' HB3' ' CE2' ' A' ' 64' ' ' TRP . 3.7 pt20 -61.61 -28.52 69.42 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.835 0.35 . . . . 0.0 110.156 -179.628 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.496 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 38.9 tt0 -57.84 -36.75 72.73 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.652 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 22.0 ptt180 -113.74 15.97 18.63 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 120.073 -0.651 . . . . 0.0 112.258 179.361 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.534 ' HE3' ' OD1' ' A' ' 20' ' ' ASP . 63.0 mttm -118.85 -160.51 0.8 Allowed 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 110.1 -0.334 . . . . 0.0 110.1 176.19 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.458 HD21 ' O ' ' A' ' 26' ' ' VAL . 7.5 mp . . . . . 0 C--N 1.345 0.382 0 O-C-N 123.557 0.536 . . . . 0.0 111.502 -175.429 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 53.8 t . . . . . 0 N--CA 1.449 -0.516 0 N-CA-C 107.573 -1.269 . . . . 0.0 107.573 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 79.8 m -76.97 117.58 18.7 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 114.868 -1.06 . . . . 0.0 111.552 -171.061 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -92.67 -10.35 37.56 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.572 170.032 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -112.48 149.39 32.68 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.945 -1.025 . . . . 0.0 110.104 174.425 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 96.2 mt -136.24 135.48 39.08 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.716 0.293 . . . . 0.0 110.541 -176.435 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.464 ' CE2' ' HB2' ' A' ' 16' ' ' LYS . 36.5 t80 -72.42 -46.24 56.01 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.555 -179.385 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 47.0 mtp180 71.05 -25.51 0.17 Allowed 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 113.334 0.864 . . . . 0.0 113.334 173.807 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.464 ' HB2' ' CE2' ' A' ' 14' ' ' TYR . 57.6 mttp -85.47 155.22 59.7 Favored Pre-proline 0 C--N 1.322 -0.63 0 O-C-N 122.185 -0.322 . . . . 0.0 110.52 -179.689 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_exo -62.08 143.19 94.53 Favored 'Trans proline' 0 C--O 1.233 0.256 0 C-N-CA 122.558 2.172 . . . . 0.0 111.195 172.801 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.606 HD21 HG21 ' A' ' 52' ' ' ILE . 69.2 mt -91.11 138.46 31.58 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 120.882 0.372 . . . . 0.0 110.873 -176.238 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.553 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 25.0 m -56.24 128.32 35.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.546 177.829 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -61.15 -28.77 69.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.207 -0.451 . . . . 0.0 112.094 -172.414 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.496 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 45.5 mmtm -68.08 -44.16 76.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.5 0.19 . . . . 0.0 111.033 179.657 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.553 ' HG ' ' O ' ' A' ' 19' ' ' SER . 4.5 pp -75.73 -28.62 58.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.221 0.534 . . . . 0.0 110.161 174.855 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.654 ' HG ' ' CZ3' ' A' ' 64' ' ' TRP . 15.9 tp -66.42 -31.5 72.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.452 -173.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.496 ' HG2' ' O ' ' A' ' 21' ' ' LYS . 4.0 ptm180 -68.04 -9.01 42.54 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.674 0.273 . . . . 0.0 111.61 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 47.6 mtmt -104.76 9.19 35.06 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.859 0.362 . . . . 0.0 110.966 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.631 HG22 ' HG ' ' A' ' 47' ' ' LEU . 51.7 t -79.5 98.15 2.94 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.57 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 171.138 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 19.9 pt -83.5 -18.69 10.09 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.919 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.865 -169.764 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 37.5 mm-40 -154.16 157.63 39.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.296 -179.11 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 4.0 p -119.2 126.18 75.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 174.556 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -112.71 127.74 56.21 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.293 0.568 . . . . 0.0 110.82 -175.678 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 41.1 tp -91.44 106.68 18.67 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.285 -177.383 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.526 ' O ' ' HA ' ' A' ' 41' ' ' GLN . 49.1 tt0 -79.84 107.82 12.92 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 171.652 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -76.67 158.77 30.78 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.914 0.388 . . . . 0.0 111.353 -176.33 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.661 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . . . -75.72 -6.54 51.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.915 -175.313 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -168.45 26.5 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.595 0.712 . . . . 0.0 109.494 -178.54 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -93.47 -96.94 1.5 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.669 -0.777 . . . . 0.0 111.636 -179.481 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -78.21 -15.15 59.07 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.389 0.614 . . . . 0.0 109.921 175.552 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.1 t -156.94 170.44 22.51 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 176.226 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.487 ' O ' ' HB2' ' A' ' 40' ' ' LEU . 28.2 t60 -105.03 76.84 1.27 Allowed 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.094 -178.353 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.487 ' HB2' ' O ' ' A' ' 39' ' ' HIS . 5.6 tt 175.59 121.98 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 175.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.661 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 34.5 tt0 -86.12 123.96 32.0 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.357 0.599 . . . . 0.0 111.757 -176.184 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.59 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -148.45 134.7 19.4 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.431 177.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.572 ' O ' ' HB ' ' A' ' 54' ' ' ILE . 13.9 m-85 -89.86 99.99 12.89 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 172.336 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 25.1 t -102.05 136.3 34.8 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.98 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.038 -172.183 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.497 HD12 HD12 ' A' ' 18' ' ' LEU . 53.0 mt -99.06 125.47 44.57 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.173 0.511 . . . . 0.0 110.934 -175.677 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 64.7 t60 -98.08 99.9 11.19 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.696 -172.793 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.631 ' HG ' HG22 ' A' ' 26' ' ' VAL . 5.9 mp -89.1 162.48 15.95 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.057 177.172 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.56 15.57 0.1 Allowed 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.116 -0.493 . . . . 0.0 112.11 -178.025 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.447 ' H ' ' C ' ' A' ' 47' ' ' LEU . 14.7 mp0 -133.27 -51.19 0.88 Allowed 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 179.281 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -163.6 167.19 21.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.234 -178.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.4 m -98.32 144.46 27.7 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.178 0.513 . . . . 0.0 111.737 -176.042 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.606 HG21 HD21 ' A' ' 18' ' ' LEU . 68.4 mt -111.45 135.38 50.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.148 175.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 30.7 m -100.39 121.8 42.1 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.239 0.543 . . . . 0.0 110.823 -169.468 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.572 ' HB ' ' O ' ' A' ' 43' ' ' PHE . 39.6 mt -124.34 142.76 40.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.604 -0.726 . . . . 0.0 111.182 -174.557 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.618 ' O ' ' HB2' ' A' ' 58' ' ' ASN . 42.1 t-80 -70.65 134.61 86.21 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.474 176.594 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.59 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 1.1 Cg_endo -46.16 -48.56 12.81 Favored 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 122.999 2.466 . . . . 0.0 112.702 -179.34 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -84.13 82.0 8.56 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 173.128 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.618 ' HB2' ' O ' ' A' ' 55' ' ' HIS . 0.9 OUTLIER -148.5 122.96 4.88 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-N 115.301 -0.863 . . . . 0.0 108.872 177.25 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -54.37 -29.29 57.63 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.74 2.293 . . . . 0.0 112.225 -173.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.4 p -60.03 -33.62 72.27 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.475 -0.784 . . . . 0.0 112.071 -178.462 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.509 ' HG ' ' HB3' ' A' ' 43' ' ' PHE . 0.3 OUTLIER -79.76 -47.17 15.69 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 121.001 -0.28 . . . . 0.0 110.256 -176.337 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.514 ' HA ' ' CD2' ' A' ' 65' ' ' PHE . 47.0 t -60.06 -46.53 89.23 Favored 'General case' 0 C--O 1.24 0.571 0 CA-C-O 121.268 0.556 . . . . 0.0 110.261 177.196 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -63.59 -28.67 70.09 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.256 177.301 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.654 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 30.6 t-105 -69.33 -34.01 73.99 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.746 177.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.514 ' CD2' ' HA ' ' A' ' 62' ' ' SER . 21.0 m-85 -53.32 -51.31 62.81 Favored 'General case' 0 C--O 1.238 0.483 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 175.223 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -63.97 -47.14 81.57 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.346 178.718 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 33.7 m170 -68.6 -43.29 76.75 Favored 'General case' 0 C--O 1.221 -0.405 0 CA-C-N 115.434 -0.803 . . . . 0.0 112.477 -173.316 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.477 ' HB3' ' CE2' ' A' ' 64' ' ' TRP . 3.8 pt20 -65.03 -27.42 68.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 117.882 0.31 . . . . 0.0 110.592 -176.859 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -63.76 -40.57 97.02 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.145 175.368 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 34.0 ptt180 -113.47 33.4 5.16 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 116.344 -0.389 . . . . 0.0 112.023 -178.144 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.519 ' HB3' HD23 ' A' ' 72' ' ' LEU . 12.2 ttmm -141.04 -167.86 2.48 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 174.281 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.519 HD23 ' HB3' ' A' ' 71' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--N 1.346 0.453 0 C-N-CA 124.114 0.966 . . . . 0.0 112.244 -173.432 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.628 ' HA ' ' NE2' ' A' ' 32' ' ' GLN . 49.3 t . . . . . 0 N--CA 1.445 -0.698 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 76.1 m -79.67 117.25 20.42 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.813 -177.288 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.1 p -94.63 2.05 55.6 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.305 0.574 . . . . 0.0 110.182 173.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.95 145.61 51.04 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.426 177.534 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 98.2 mt -122.1 142.13 50.69 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.535 -177.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.433 ' CE2' ' HB3' ' A' ' 16' ' ' LYS . 12.3 t80 -75.08 -40.42 60.12 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.743 -177.549 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 60.66 23.54 13.36 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 175.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.466 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 85.3 tttt -136.97 133.4 18.64 Favored Pre-proline 0 C--N 1.319 -0.739 0 CA-C-O 120.594 0.235 . . . . 0.0 110.53 -177.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.771 ' HA ' ' HB3' ' A' ' 60' ' ' SER . 33.7 Cg_exo -62.17 130.02 29.11 Favored 'Trans proline' 0 N--CA 1.464 -0.242 0 C-N-CA 122.737 2.292 . . . . 0.0 111.838 176.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.719 ' HB3' HD11 ' A' ' 22' ' ' LEU . 90.4 mt -84.34 160.96 20.58 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.821 -178.078 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.67 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 22.3 m -70.12 135.18 48.93 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.614 177.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.533 ' HA ' HD12 ' A' ' 23' ' ' LEU . 22.7 t70 -60.28 -32.52 71.27 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.963 0.411 . . . . 0.0 111.037 -178.535 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.492 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 36.7 mmtm -59.13 -45.69 90.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.336 177.227 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.719 HD11 ' HB3' ' A' ' 18' ' ' LEU . 4.2 pp -74.86 -26.57 59.77 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.194 177.102 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.554 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 58.4 mt -62.66 -46.11 89.69 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.325 179.74 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.495 ' HB3' ' HD3' ' A' ' 71' ' ' LYS . 26.0 ptt180 -62.69 2.89 0.25 Allowed 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 179.19 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.565 ' HD3' ' HA ' ' A' ' 22' ' ' LEU . 24.2 mtpp -102.5 -17.41 15.78 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 122.747 0.419 . . . . 0.0 110.054 176.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 43.9 t -69.74 102.19 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.07 -174.314 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 33.9 pt -76.5 -26.09 16.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.208 -171.622 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 -146.14 155.33 42.66 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.015 0.436 . . . . 0.0 111.02 -178.666 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 40.6 t -120.18 115.43 47.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 172.564 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -105.26 113.83 27.64 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-O 121.557 0.694 . . . . 0.0 110.417 -175.724 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 41.4 tp -80.21 109.82 15.05 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.585 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.628 ' NE2' ' HA ' ' A' ' 9' ' ' CYS . 42.4 tt0 -72.12 103.88 3.44 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 171.552 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -74.28 152.05 39.75 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.941 -179.399 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.476 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . . . -73.94 6.65 3.16 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 -173.838 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -164.65 -28.9 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.076 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -63.87 -55.17 26.14 Favored Glycine 0 C--N 1.331 0.256 0 CA-C-N 115.969 -0.559 . . . . 0.0 113.038 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -91.29 -39.05 12.27 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.36 0.6 . . . . 0.0 109.995 -177.703 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 35.3 t -168.84 172.93 7.42 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 9.8 t60 -88.25 76.87 8.34 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 118.957 0.799 . . . . 0.0 109.878 179.193 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.611 ' HB3' ' NE2' ' A' ' 32' ' ' GLN . 1.2 tm? -179.79 135.37 0.11 Allowed 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 106.881 -1.526 . . . . 0.0 106.881 -176.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.476 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 41.8 tt0 -107.07 122.48 46.55 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.399 -0.521 . . . . 0.0 110.975 -178.252 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.574 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -153.39 151.14 29.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.002 0.429 . . . . 0.0 111.238 179.336 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.905 ' HB3' ' HG ' ' A' ' 61' ' ' LEU . 1.3 m-85 -102.3 105.12 15.7 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 173.019 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.432 HG13 ' O ' ' A' ' 52' ' ' ILE . 91.4 t -104.29 131.15 53.82 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.285 -171.457 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.474 HD12 HD12 ' A' ' 18' ' ' LEU . 67.7 mt -91.86 126.18 36.84 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.469 -178.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 11.5 t60 -107.75 109.49 21.08 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.923 -173.457 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 5.5 mp -98.54 165.98 11.57 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 174.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.46 -11.75 58.61 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.803 0.335 . . . . 0.0 111.684 -176.097 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.401 ' HB2' ' HG3' ' A' ' 50' ' ' ARG . 3.2 mp0 -102.17 -47.14 4.62 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.971 0.415 . . . . 0.0 110.073 179.376 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.482 HH12 HD11 ' A' ' 52' ' ' ILE . 0.2 OUTLIER -163.79 173.21 13.08 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.02 -174.585 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 48.4 m -113.44 158.49 20.6 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.08 -178.826 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.482 HD11 HH12 ' A' ' 50' ' ' ARG . 62.5 mt -126.92 142.17 44.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.422 176.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 31.4 m -101.1 121.26 41.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.14 0.495 . . . . 0.0 110.673 -171.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.425 ' HB ' ' O ' ' A' ' 43' ' ' PHE . 37.5 mt -127.52 142.56 43.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.396 -175.193 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.532 ' O ' ' HB2' ' A' ' 58' ' ' ASN . 49.0 t-80 -63.22 130.81 94.48 Favored Pre-proline 0 C--N 1.33 -0.243 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 173.59 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.574 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 95.4 Cg_exo -44.87 -55.37 3.41 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 123.055 2.503 . . . . 0.0 112.867 -177.305 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 89.6 mm-40 -85.84 80.59 8.87 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.314 0.578 . . . . 0.0 109.958 174.694 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.532 ' HB2' ' O ' ' A' ' 55' ' ' HIS . 1.4 t-20 -136.05 134.38 20.29 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.068 175.46 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo -58.42 -6.09 2.81 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 123.423 2.748 . . . . 0.0 112.996 -177.559 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.771 ' HB3' ' HA ' ' A' ' 17' ' ' PRO . 13.3 p -85.72 -43.71 13.14 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.852 178.054 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.905 ' HG ' ' HB3' ' A' ' 43' ' ' PHE . 0.2 OUTLIER -80.1 -41.44 25.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.009 0.433 . . . . 0.0 110.695 -174.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 12.2 m -70.59 -47.55 59.65 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.607 0.718 . . . . 0.0 110.433 -176.247 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -59.52 -28.6 67.21 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.111 -0.949 . . . . 0.0 109.218 174.426 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.554 ' CZ3' ' HB3' ' A' ' 23' ' ' LEU . 9.2 t-105 -66.08 -40.18 90.62 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.605 177.5 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -53.13 -39.62 63.63 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.532 0.206 . . . . 0.0 111.007 178.349 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -75.89 -46.33 30.66 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.329 0.585 . . . . 0.0 110.769 177.116 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 11.1 m170 -64.19 -41.89 96.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.702 -177.072 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.548 ' HB3' ' CE2' ' A' ' 64' ' ' TRP . 4.3 pt20 -71.1 -24.84 62.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.648 0.261 . . . . 0.0 110.618 -179.166 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -61.45 -30.49 70.62 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.641 176.676 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 14.5 ptt180 -113.49 14.9 19.13 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 116.141 -0.482 . . . . 0.0 112.023 179.632 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.495 ' HD3' ' HB3' ' A' ' 24' ' ' ARG . 62.1 mttm -127.62 -159.6 0.95 Allowed 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 172.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.8 mp . . . . . 0 C--N 1.346 0.416 0 CA-C-O 121.015 0.436 . . . . 0.0 111.87 -178.876 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 15.3 t . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 122.009 0.909 . . . . 0.0 108.632 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 15.8 t -91.42 138.23 31.74 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.33 -1.304 . . . . 0.0 110.402 -178.118 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.6 p -117.76 -32.75 4.73 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 177.514 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.77 98.5 11.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.709 0.766 . . . . 0.0 111.236 177.442 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.6 HD23 ' SG ' ' A' ' 53' ' ' CYS . 15.3 mt -86.12 141.89 29.07 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.789 -175.816 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.458 ' CE2' ' HB2' ' A' ' 16' ' ' LYS . 50.1 t80 -68.87 -21.54 64.26 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.629 -174.675 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 27.2 ptt180 45.39 31.78 0.92 Allowed 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 113.635 0.976 . . . . 0.0 113.635 174.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.458 ' HB2' ' CE2' ' A' ' 14' ' ' TYR . 59.7 mttp -142.85 149.62 50.39 Favored Pre-proline 0 C--N 1.328 -0.343 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 176.766 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.514 ' HA ' ' HB2' ' A' ' 60' ' ' SER . 9.9 Cg_exo -71.94 136.83 28.23 Favored 'Trans proline' 0 C--O 1.234 0.305 0 C-N-CA 122.97 2.447 . . . . 0.0 111.817 176.274 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.803 ' HB3' HD11 ' A' ' 22' ' ' LEU . 68.5 mt -90.08 162.22 15.43 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.761 -178.081 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.542 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 46.2 m -93.8 145.09 24.85 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.073 -178.191 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.497 ' OD1' ' HE3' ' A' ' 71' ' ' LYS . 20.8 t70 -59.83 -36.93 77.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.727 -174.619 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.589 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 60.0 mttp -60.01 -45.8 91.57 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.356 -179.794 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.803 HD11 ' HB3' ' A' ' 18' ' ' LEU . 4.4 pp -74.39 -27.96 60.88 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.457 -0.497 . . . . 0.0 110.576 176.582 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.49 ' HA ' HG23 ' A' ' 26' ' ' VAL . 67.7 mt -66.32 -37.9 86.46 Favored 'General case' 0 C--O 1.225 -0.237 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.312 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.696 ' HB3' ' HD3' ' A' ' 71' ' ' LYS . 10.9 ptt180 -67.04 4.19 0.94 Allowed 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 121.114 0.483 . . . . 0.0 111.676 -179.041 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.51 ' HE2' ' HA ' ' A' ' 22' ' ' LEU . 34.6 mtmt -117.41 2.15 12.43 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.318 177.8 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.597 HG22 ' HG ' ' A' ' 47' ' ' LEU . 61.8 t -84.08 95.5 3.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 178.679 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.41 HG13 ' HG2' ' A' ' 28' ' ' GLN . 36.9 pt -77.26 -19.92 14.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.152 -170.104 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.742 ' HB2' ' HB3' ' A' ' 46' ' ' HIS . 24.4 mm-40 -134.33 135.81 43.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.0 0.429 . . . . 0.0 111.563 -178.145 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 42.5 t -116.65 115.17 48.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 172.149 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -127.3 141.62 51.66 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.494 0.664 . . . . 0.0 111.992 -173.602 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 53.8 tp -94.88 125.74 39.75 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.602 -179.349 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.422 ' HB3' ' HB3' ' A' ' 42' ' ' ALA . 42.8 tt0 -90.87 113.41 25.59 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.314 173.844 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -79.65 138.91 37.53 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.955 -175.091 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.671 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . . . -75.37 -4.48 39.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.489 -178.463 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -133.9 -15.51 2.33 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.853 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -75.98 -87.9 0.29 Allowed Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.827 -176.375 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -96.7 2.33 51.95 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 122.743 -0.269 . . . . 0.0 111.44 -177.205 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.7 t -159.17 178.87 9.55 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 -175.246 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 11.3 p-80 -108.01 13.21 26.3 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.078 0.466 . . . . 0.0 110.37 177.03 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -135.84 131.37 35.27 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 -176.214 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.671 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 36.1 tt0 -86.69 125.98 34.24 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.596 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -143.54 161.97 37.09 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.122 0.487 . . . . 0.0 111.04 -178.111 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.532 ' CB ' ' HG ' ' A' ' 61' ' ' LEU . 59.7 m-85 -118.22 105.92 12.29 Favored 'General case' 0 C--N 1.314 -0.949 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 173.761 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 26.0 t -102.87 129.37 54.64 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.969 0 CA-C-O 121.311 0.577 . . . . 0.0 110.698 -172.535 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.555 HD12 HD12 ' A' ' 18' ' ' LEU . 72.8 mt -101.78 121.22 41.67 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.915 -179.26 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.742 ' HB3' ' HB2' ' A' ' 28' ' ' GLN . 64.7 t60 -108.98 110.07 21.27 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.282 -170.641 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.597 ' HG ' HG22 ' A' ' 26' ' ' VAL . 4.6 mp -93.87 166.69 12.06 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.19 177.597 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -77.48 -5.19 49.08 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.184 0.516 . . . . 0.0 110.838 -176.462 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -121.96 -11.1 8.56 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.88 -177.481 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -175.36 177.98 1.75 Allowed 'General case' 0 N--CA 1.463 0.178 0 C-N-CA 121.204 -0.199 . . . . 0.0 110.9 -170.34 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 17.9 m -140.01 136.95 34.24 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 177.397 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.407 HG21 HD21 ' A' ' 18' ' ' LEU . 64.3 mt -116.97 138.79 46.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 179.485 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.6 ' SG ' HD23 ' A' ' 13' ' ' LEU . 35.7 t -102.49 120.59 40.78 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.016 0.436 . . . . 0.0 110.407 -174.522 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.449 ' HB ' ' O ' ' A' ' 43' ' ' PHE . 1.6 mt -115.03 143.42 24.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.542 0.687 . . . . 0.0 111.475 -176.538 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.505 ' O ' ' HB2' ' A' ' 58' ' ' ASN . 40.8 t-80 -83.58 139.78 41.15 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.999 179.255 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.596 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 18.3 Cg_endo -60.56 153.04 64.09 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.252 1.968 . . . . 0.0 111.459 176.007 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.458 ' HB2' ' O ' ' A' ' 56' ' ' PRO . 79.0 mt-30 71.17 9.26 6.62 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 122.677 0.391 . . . . 0.0 111.612 -176.85 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.505 ' HB2' ' O ' ' A' ' 55' ' ' HIS . 3.6 m120 -87.74 126.1 62.75 Favored Pre-proline 0 C--O 1.234 0.274 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 172.353 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 58' ' ' ASN . 58.6 Cg_exo -52.34 -35.3 64.1 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 123.305 2.67 . . . . 0.0 112.822 -176.447 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.514 ' HB2' ' HA ' ' A' ' 17' ' ' PRO . 31.8 t -58.63 -28.92 66.11 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.272 -0.422 . . . . 0.0 112.068 -176.234 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.532 ' HG ' ' CB ' ' A' ' 43' ' ' PHE . 0.6 OUTLIER -80.63 -47.17 14.5 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.123 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 32.8 t -62.91 -45.94 90.13 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.103 0.478 . . . . 0.0 110.303 -179.086 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -64.45 -27.15 68.79 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.22 177.746 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.467 ' CZ3' ' HB3' ' A' ' 23' ' ' LEU . 11.4 t-105 -71.32 -33.38 69.6 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.696 177.563 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -60.26 -36.37 77.64 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.255 -0.578 . . . . 0.0 110.381 174.628 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.426 ' O ' ' HB3' ' A' ' 69' ' ' GLU . 75.3 mm-40 -73.52 -43.47 59.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.301 175.881 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.58 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 10.3 m170 -71.19 -37.54 72.13 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.353 -177.731 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.453 ' HG2' HD22 ' A' ' 72' ' ' LEU . 0.5 OUTLIER -60.07 -41.14 91.78 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.102 0.477 . . . . 0.0 109.928 175.831 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.426 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 4.6 tp10 -53.66 -35.15 60.71 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.19 -0.914 . . . . 0.0 110.618 176.87 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.3 ptp180 -113.63 31.5 6.46 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.458 -176.429 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.696 ' HD3' ' HB3' ' A' ' 24' ' ' ARG . 7.3 ttmm -154.92 -163.31 1.54 Allowed 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.701 -0.227 . . . . 0.0 110.666 -176.12 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.504 HD21 ' O ' ' A' ' 26' ' ' VAL . 6.8 mp . . . . . 0 C--N 1.344 0.343 0 N-CA-C 113.991 1.108 . . . . 0.0 113.991 179.463 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 82.8 m . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.507 ' HB2' HE22 ' A' ' 32' ' ' GLN . 97.4 m -110.04 118.77 37.32 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.97 -175.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.8 p -105.07 1.65 28.71 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.64 0.733 . . . . 0.0 109.549 168.427 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.36 158.89 43.51 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.586 -178.611 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.538 HD13 ' HB3' ' A' ' 55' ' ' HIS . 87.1 mt -137.02 153.42 50.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.194 -178.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 56.9 t80 -81.43 -37.86 27.39 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 177.284 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 91.0 mtt180 74.39 -40.39 0.45 Allowed 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.811 0.844 . . . . 0.0 112.507 173.478 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.2 mptp? -79.23 162.33 64.46 Favored Pre-proline 0 C--N 1.324 -0.512 0 C-N-CA 122.349 0.26 . . . . 0.0 111.037 178.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -74.83 158.82 42.59 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.494 2.129 . . . . 0.0 112.498 176.299 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.776 ' HB3' HD11 ' A' ' 22' ' ' LEU . 89.8 mt -103.42 146.1 28.99 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.152 -177.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.663 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 13.6 m -76.14 143.79 40.99 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.479 178.413 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.507 ' HA ' HD12 ' A' ' 23' ' ' LEU . 12.4 t70 -62.65 -28.9 70.24 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 120.83 0.348 . . . . 0.0 110.948 -177.492 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.549 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 57.7 mtpt -57.03 -46.74 82.15 Favored 'General case' 0 C--O 1.227 -0.122 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.214 176.699 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.776 HD11 ' HB3' ' A' ' 18' ' ' LEU . 4.4 pp -75.01 -27.67 60.21 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.611 -0.435 . . . . 0.0 110.291 178.562 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.657 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 77.6 mt -65.02 -40.01 94.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.023 -178.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.592 ' HB3' ' HD3' ' A' ' 71' ' ' LYS . 19.3 ptp180 -72.05 3.9 4.0 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.339 0.59 . . . . 0.0 111.079 179.431 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.412 ' HE2' ' HA ' ' A' ' 22' ' ' LEU . 54.8 mtmt -116.18 6.55 13.93 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.95 178.09 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.745 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 47.1 t -76.54 152.71 5.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 175.08 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.522 HD13 ' HA ' ' A' ' 48' ' ' ALA . 30.1 pt -123.58 -31.75 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 C-N-CA 120.866 -0.334 . . . . 0.0 111.321 179.325 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.454 ' HB2' ' HB3' ' A' ' 46' ' ' HIS . 84.4 mm-40 -139.13 152.63 47.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.172 0.51 . . . . 0.0 111.605 -175.719 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 86.8 t -123.96 134.52 66.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 174.448 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.55 ' HG3' ' HB ' ' A' ' 44' ' ' VAL . 1.5 pt-20 -136.0 141.74 44.4 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.268 0.556 . . . . 0.0 112.03 -174.424 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 50.7 tp -107.66 115.67 30.56 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.94 176.74 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.507 HE22 ' HB2' ' A' ' 10' ' ' CYS . 8.5 tt0 -73.56 104.55 4.56 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 176.436 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -74.21 123.95 25.46 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 175.265 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.417 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . . . -70.88 30.05 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 114.434 1.272 . . . . 0.0 114.434 -163.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -177.2 -39.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.602 0.239 . . . . 0.0 111.278 -178.428 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -59.63 -29.69 67.42 Favored Glycine 0 C--O 1.235 0.163 0 CA-C-N 116.078 -0.51 . . . . 0.0 113.272 -177.701 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -127.16 -51.09 1.42 Allowed 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 177.621 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 6.5 m -149.51 161.89 41.23 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.151 176.341 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.488 ' O ' ' HB3' ' A' ' 40' ' ' LEU . 11.5 p-80 -72.88 165.42 24.96 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 110.473 -0.195 . . . . 0.0 110.473 179.597 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.488 ' HB3' ' O ' ' A' ' 39' ' ' HIS . 55.9 tp 73.74 132.5 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.448 0 O-C-N 123.972 0.795 . . . . 0.0 110.705 -176.854 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.417 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 53.3 tt0 -100.55 134.51 43.4 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.603 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.559 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -155.04 148.34 24.99 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.995 0.426 . . . . 0.0 112.112 -178.252 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -97.73 107.58 20.1 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.403 -0.817 . . . . 0.0 108.914 172.014 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.55 ' HB ' ' HG3' ' A' ' 30' ' ' GLU . 48.6 t -106.34 134.7 47.17 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.052 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.95 -172.436 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.552 HD12 HD12 ' A' ' 18' ' ' LEU . 67.7 mt -105.6 119.65 39.66 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.842 -178.244 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.454 ' HB3' ' HB2' ' A' ' 28' ' ' GLN . 1.7 t60 -104.16 107.09 17.83 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.586 -172.167 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.745 ' HA ' ' HA ' ' A' ' 26' ' ' VAL . 6.9 mp -87.53 167.75 13.67 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.035 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.522 ' HA ' HD13 ' A' ' 27' ' ' ILE . . . -62.22 -26.42 68.36 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.161 0.505 . . . . 0.0 111.295 -177.352 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.42 ' NE2' ' HG3' ' A' ' 50' ' ' ARG . 0.0 OUTLIER -134.94 9.96 3.58 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.412 -178.273 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.55 ' HB2' ' HB2' ' A' ' 47' ' ' LEU . 65.9 mtt180 -146.5 170.22 17.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.041 0.448 . . . . 0.0 111.436 -175.661 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 41.8 m -151.92 122.79 7.52 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.321 173.023 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.595 HG21 HD21 ' A' ' 18' ' ' LEU . 3.7 mp -117.61 130.62 72.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 179.633 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.453 ' SG ' HG22 ' A' ' 44' ' ' VAL . 30.1 t -102.77 121.52 42.64 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.289 0.566 . . . . 0.0 110.237 -177.634 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.401 HG21 ' HB2' ' A' ' 61' ' ' LEU . 28.3 mt -121.37 136.94 56.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.34 -177.691 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.538 ' HB3' HD13 ' A' ' 13' ' ' LEU . 7.3 p80 -76.72 151.12 82.34 Favored Pre-proline 0 C--N 1.327 -0.405 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 177.815 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.559 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 31.9 Cg_exo -57.64 152.67 47.15 Favored 'Trans proline' 0 CA--C 1.528 0.212 0 C-N-CA 122.638 2.225 . . . . 0.0 112.217 -179.39 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 64.88 70.29 0.48 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.849 0.833 . . . . 0.0 110.24 -175.632 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -139.26 132.95 15.86 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.624 179.355 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.591 ' O ' ' HG3' ' A' ' 63' ' ' GLN . 5.4 Cg_endo -47.95 -52.12 8.76 Favored 'Trans proline' 0 N--CA 1.462 -0.344 0 C-N-CA 123.342 2.695 . . . . 0.0 112.547 -179.789 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 12.8 t -62.91 -39.35 94.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.751 0.31 . . . . 0.0 110.973 -175.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.434 HD22 ' HA ' ' A' ' 61' ' ' LEU . 0.6 OUTLIER -66.17 -46.68 76.56 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.844 -179.55 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 60.8 m -62.54 -45.07 94.64 Favored 'General case' 0 C--O 1.243 0.731 0 CA-C-O 121.341 0.591 . . . . 0.0 111.026 177.26 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.591 ' HG3' ' O ' ' A' ' 59' ' ' PRO . 45.3 mt-30 -56.99 -39.52 74.83 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.095 176.828 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.657 ' CZ3' ' HB3' ' A' ' 23' ' ' LEU . 22.8 t-105 -68.0 -31.36 71.0 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.241 -177.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.479 ' HA ' HE21 ' A' ' 68' ' ' GLN . 10.0 m-30 -52.99 -54.39 35.9 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-O 121.189 0.519 . . . . 0.0 110.208 175.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.404 ' O ' ' HG2' ' A' ' 70' ' ' ARG . 37.8 mt-10 -74.8 -35.28 62.49 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.279 -179.446 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.428 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 7.6 m170 -68.35 -41.67 80.35 Favored 'General case' 0 C--O 1.223 -0.308 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.682 -178.371 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.479 HE21 ' HA ' ' A' ' 65' ' ' PHE . 29.7 pt20 -64.64 -33.21 75.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.93 0.395 . . . . 0.0 110.449 -179.158 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -64.07 -28.91 70.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.352 179.491 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.404 ' HG2' ' O ' ' A' ' 66' ' ' GLU . 15.9 ptm180 -114.2 25.71 10.88 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.655 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.592 ' HD3' ' HB3' ' A' ' 24' ' ' ARG . 10.0 ttmm -145.74 -171.31 3.66 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 -178.791 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.408 ' H ' ' HG2' ' A' ' 71' ' ' LYS . 6.7 mp . . . . . 0 N--CA 1.472 0.638 0 N-CA-C 112.608 0.595 . . . . 0.0 112.608 -176.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 36.4 t . . . . . 0 N--CA 1.437 -1.096 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 63.7 m -88.42 123.33 32.86 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 114.15 -1.386 . . . . 0.0 111.627 -171.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 15.7 p -99.43 10.76 40.78 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.9 0.857 . . . . 0.0 108.69 169.453 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.427 HE21 ' HB2' ' A' ' 12' ' ' GLN . 0.0 OUTLIER -120.6 126.66 50.86 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 114.605 -1.179 . . . . 0.0 109.142 -178.839 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.482 HD13 ' HB2' ' A' ' 55' ' ' HIS . 87.0 mt -111.73 110.84 21.42 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 120.894 0.378 . . . . 0.0 110.678 179.186 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.672 ' CE2' ' HB2' ' A' ' 16' ' ' LYS . 27.9 t80 -65.95 -54.0 31.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.126 -178.541 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 50.0 mtp180 71.86 -13.45 0.58 Allowed 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 171.286 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.672 ' HB2' ' CE2' ' A' ' 14' ' ' TYR . 46.2 mmtm -72.33 145.91 88.63 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-O 120.529 0.204 . . . . 0.0 110.529 179.177 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.534 ' HA ' ' HB3' ' A' ' 60' ' ' SER . 19.4 Cg_exo -65.92 114.0 2.8 Favored 'Trans proline' 0 N--CA 1.461 -0.396 0 C-N-CA 122.606 2.204 . . . . 0.0 111.127 175.102 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.777 HD12 HD12 ' A' ' 45' ' ' LEU . 71.7 mt -75.56 146.34 40.53 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.085 0.469 . . . . 0.0 110.967 -178.254 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.647 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 16.6 m -78.11 138.51 38.77 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.967 -178.118 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.633 ' OD1' ' HE3' ' A' ' 71' ' ' LYS . 29.0 t70 -59.05 -33.07 70.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.509 -176.271 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.431 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 97.2 mttt -58.87 -47.09 86.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.157 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.647 ' HG ' ' O ' ' A' ' 19' ' ' SER . 4.5 pp -74.84 -27.95 60.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.691 0.282 . . . . 0.0 110.548 177.614 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' A' ' 19' ' ' SER . 60.9 mt -63.46 -48.04 79.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.771 -177.155 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.679 ' HB3' ' HD3' ' A' ' 71' ' ' LYS . 16.3 ptm180 -55.14 -21.24 12.55 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 120.927 0.394 . . . . 0.0 111.924 179.588 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.433 ' HE3' ' HA ' ' A' ' 22' ' ' LEU . 48.8 mtmt -93.64 10.98 30.52 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.113 0.482 . . . . 0.0 111.582 -178.436 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.638 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 6.4 t -74.17 129.67 36.36 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.869 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 171.682 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.556 HD13 ' HA ' ' A' ' 48' ' ' ALA . 19.9 pt -94.34 -30.68 4.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.242 -175.294 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 72.8 mm-40 -152.94 157.02 40.0 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.25 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 40.4 t -116.59 120.07 63.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 174.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.466 ' HG3' ' HB ' ' A' ' 44' ' ' VAL . 3.4 pt-20 -107.42 131.94 53.73 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.231 0.538 . . . . 0.0 110.962 -175.345 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 55.0 tp -102.18 116.24 32.25 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.552 -178.291 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.401 ' HB3' ' H ' ' A' ' 42' ' ' ALA . 18.4 tt0 -87.38 110.88 20.57 Favored 'General case' 0 C--N 1.314 -0.975 0 N-CA-C 108.183 -1.044 . . . . 0.0 108.183 173.776 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.496 ' OE1' ' HA3' ' A' ' 36' ' ' GLY . 80.1 mt-10 -67.31 164.34 18.66 Favored 'General case' 0 C--N 1.318 -0.766 0 C-N-CA 121.061 -0.256 . . . . 0.0 110.355 -177.513 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.31 -11.38 60.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.809 0.337 . . . . 0.0 111.55 -172.162 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.499 ' HA ' ' HA ' ' A' ' 39' ' ' HIS . 14.9 t70 -175.62 25.08 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.25 -1.018 . . . . 0.0 108.25 -177.245 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.496 ' HA3' ' OE1' ' A' ' 33' ' ' GLU . . . -117.18 95.05 0.65 Allowed Glycine 0 N--CA 1.446 -0.689 0 CA-C-N 114.978 -1.01 . . . . 0.0 111.156 -177.53 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 36.7 t70 99.95 -38.35 0.01 OUTLIER 'General case' 0 CA--C 1.506 -0.747 0 C-N-CA 125.815 1.646 . . . . 0.0 107.022 -175.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 74.1 m -153.61 158.32 40.97 Favored 'General case' 0 N--CA 1.442 -0.862 0 CA-C-N 113.687 -1.597 . . . . 0.0 109.46 173.768 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.499 ' HA ' ' HA ' ' A' ' 35' ' ' ASP . 13.1 p-80 -79.06 164.01 24.68 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 171.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.406 ' HB3' ' O ' ' A' ' 39' ' ' HIS . 2.1 tm? 75.03 105.31 0.07 Allowed 'General case' 0 N--CA 1.467 0.382 0 O-C-N 123.951 0.782 . . . . 0.0 110.17 179.134 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -75.54 132.61 40.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.69 -178.664 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.565 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -144.63 137.26 26.55 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.248 -178.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.652 ' HB3' ' HG ' ' A' ' 61' ' ' LEU . 4.8 m-85 -94.02 104.19 16.24 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 171.218 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.466 ' HB ' ' HG3' ' A' ' 30' ' ' GLU . 60.6 t -106.68 128.12 61.61 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-O 121.278 0.561 . . . . 0.0 111.065 -172.272 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.777 HD12 HD12 ' A' ' 18' ' ' LEU . 66.8 mt -95.1 123.57 38.67 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.291 -177.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -103.34 99.25 9.09 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.575 -173.791 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.638 ' HA ' ' HA ' ' A' ' 26' ' ' VAL . 6.8 mp -76.48 164.87 25.55 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 173.222 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.556 ' HA ' HD13 ' A' ' 27' ' ' ILE . . . -64.03 -14.21 52.55 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.794 0.331 . . . . 0.0 111.761 -178.143 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -108.26 -34.74 6.73 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.555 -176.434 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' A' ' 50' ' ' ARG . 0.0 OUTLIER -166.98 165.58 15.79 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.72 0.295 . . . . 0.0 111.517 -176.942 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 67.4 m -98.25 145.32 26.76 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 178.435 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.505 HG21 HD21 ' A' ' 18' ' ' LEU . 67.6 mt -117.52 125.97 74.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 173.303 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.463 ' HA ' HG22 ' A' ' 44' ' ' VAL . 6.2 m -100.64 120.96 40.83 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.311 0.577 . . . . 0.0 110.376 -170.034 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 59.3 mt -124.25 139.38 50.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.396 -173.514 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.504 ' O ' ' HB2' ' A' ' 58' ' ' ASN . 50.6 t-80 -74.19 135.94 76.12 Favored Pre-proline 0 C--N 1.325 -0.46 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 173.469 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.565 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 68.5 Cg_exo -53.65 168.16 0.8 Allowed 'Trans proline' 0 CA--C 1.531 0.326 0 C-N-CA 122.937 2.424 . . . . 0.0 112.602 177.034 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.407 ' HB2' ' O ' ' A' ' 56' ' ' PRO . 31.1 mm-40 69.81 -1.13 2.43 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 122.851 0.461 . . . . 0.0 111.711 -177.427 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.504 ' HB2' ' O ' ' A' ' 55' ' ' HIS . 1.9 t-20 -80.31 127.34 76.62 Favored Pre-proline 0 C--N 1.329 -0.323 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_endo -49.81 -33.61 33.38 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 123.712 2.941 . . . . 0.0 112.882 -176.086 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.534 ' HB3' ' HA ' ' A' ' 17' ' ' PRO . 49.4 p -57.85 -48.48 79.66 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.453 -179.075 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.652 ' HG ' ' HB3' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -70.2 -41.65 73.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.028 -176.938 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 35.6 t -60.99 -48.97 79.38 Favored 'General case' 0 C--O 1.24 0.554 0 CA-C-O 121.231 0.539 . . . . 0.0 110.667 179.405 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -63.93 -30.81 71.86 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.24 177.778 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.499 ' CZ3' ' HB3' ' A' ' 23' ' ' LEU . 18.6 t-105 -70.42 -32.88 70.67 Favored 'General case' 0 C--O 1.219 -0.516 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.932 178.239 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.467 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 7.1 m-85 -54.85 -45.37 74.53 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.13 0.491 . . . . 0.0 110.425 174.593 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -71.44 -46.08 60.97 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.578 0.704 . . . . 0.0 111.064 177.754 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -67.7 -32.88 73.82 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.923 -176.204 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.467 ' HG2' ' O ' ' A' ' 65' ' ' PHE . 12.3 pt20 -70.43 -29.33 65.89 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 179.104 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -63.57 -27.26 69.13 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.063 0.458 . . . . 0.0 110.22 177.742 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -108.42 15.09 24.23 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 179.547 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.679 ' HD3' ' HB3' ' A' ' 24' ' ' ARG . 54.4 mttm -136.4 -159.9 1.0 Allowed 'General case' 0 N--CA 1.467 0.38 0 O-C-N 122.37 -0.206 . . . . 0.0 110.838 177.415 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.48 HD11 ' CZ2' ' A' ' 64' ' ' TRP . 7.3 mp . . . . . 0 C--N 1.343 0.298 0 O-C-N 123.522 0.514 . . . . 0.0 111.645 -174.303 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.478 ' HA ' ' OE1' ' A' ' 32' ' ' GLN . 38.5 t . . . . . 0 N--CA 1.448 -0.541 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.7 t -112.69 118.18 34.31 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.916 -173.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.5 t -113.53 11.51 18.36 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.091 176.772 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -163.58 119.59 1.7 Allowed 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.347 179.199 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.478 HD23 ' SG ' ' A' ' 53' ' ' CYS . 88.6 mt -86.47 140.43 29.96 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.486 -179.443 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.411 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 51.9 t80 -70.15 -38.45 75.48 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 175.309 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.411 ' HB2' ' O ' ' A' ' 14' ' ' TYR . 44.5 mtm180 74.25 -51.21 0.69 Allowed 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 115.319 -0.855 . . . . 0.0 112.878 174.002 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -67.99 148.72 98.38 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-O 120.699 0.285 . . . . 0.0 111.228 179.077 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -63.9 125.87 16.21 Favored 'Trans proline' 0 C--O 1.235 0.361 0 C-N-CA 122.684 2.256 . . . . 0.0 111.727 175.855 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.738 HD12 HD12 ' A' ' 45' ' ' LEU . 56.4 mt -65.26 135.21 55.1 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.071 0.462 . . . . 0.0 110.706 179.527 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.2 m -68.81 150.64 47.61 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.099 -177.561 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.448 ' HA ' ' HB2' ' A' ' 23' ' ' LEU . 7.9 t70 -56.49 -30.11 62.58 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.256 0.55 . . . . 0.0 110.49 -178.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.461 ' O ' ' HE2' ' A' ' 25' ' ' LYS . 67.4 mmtt -55.1 -46.61 75.54 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.088 -0.96 . . . . 0.0 110.653 178.027 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.94 -38.29 66.86 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 -179.724 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.448 ' HB2' ' HA ' ' A' ' 20' ' ' ASP . 5.4 mp -57.67 -45.82 85.07 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.747 -1.115 . . . . 0.0 112.176 -174.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.1 ptp180 -70.28 -4.97 24.47 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.192 0.52 . . . . 0.0 111.328 -179.318 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.461 ' HE2' ' O ' ' A' ' 21' ' ' LYS . 53.7 mtmt -111.84 2.15 16.92 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.945 -178.459 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.741 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 45.6 t -76.76 150.76 5.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 108.693 -0.855 . . . . 0.0 108.693 174.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 14.0 pt -127.96 -19.68 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 C-N-CA 121.015 -0.274 . . . . 0.0 111.64 179.586 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.668 ' HB2' ' HB3' ' A' ' 46' ' ' HIS . 58.6 mm-40 -148.36 155.09 40.82 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.043 0.449 . . . . 0.0 112.0 -177.63 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 45.7 t -114.16 118.88 59.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 108.72 -0.845 . . . . 0.0 108.72 172.585 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.441 ' CD ' ' HB2' ' A' ' 46' ' ' HIS . 3.5 mt-10 -113.2 155.17 25.5 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.95 0.405 . . . . 0.0 110.244 -174.099 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 62.0 tp -128.51 122.08 30.34 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.584 -179.087 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.52 ' O ' ' HA ' ' A' ' 41' ' ' GLN . 7.9 tt0 -76.79 104.02 7.06 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 173.382 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.405 ' C ' ' H ' ' A' ' 35' ' ' ASP . 29.8 mt-10 -69.7 133.32 47.39 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 176.337 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.568 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . . . -72.84 29.96 0.06 Allowed 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 113.064 0.764 . . . . 0.0 113.064 -169.112 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.405 ' H ' ' C ' ' A' ' 33' ' ' GLU . 34.0 t70 -177.82 -29.19 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.052 178.028 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -60.42 -28.58 67.53 Favored Glycine 0 C--N 1.332 0.359 0 CA-C-N 115.595 -0.73 . . . . 0.0 112.87 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -126.95 -65.03 0.98 Allowed 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 176.532 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 52.5 m -125.38 -173.87 2.92 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.175 177.392 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 73.3 m-70 -78.32 -24.5 46.59 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 -167.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.41 ' O ' ' HA ' ' A' ' 34' ' ' ALA . 1.1 pt? -110.04 172.7 6.71 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.446 -0.501 . . . . 0.0 111.623 -175.07 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.568 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 55.0 tt0 -114.38 141.75 47.23 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.326 179.02 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.733 ' HA ' ' HG3' ' A' ' 56' ' ' PRO . . . -156.7 150.05 24.31 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.744 178.479 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.465 ' CB ' ' HG ' ' A' ' 61' ' ' LEU . 10.0 m-85 -93.23 118.67 31.52 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 173.461 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 61.3 t -117.83 129.86 73.59 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.138 -172.477 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.738 HD12 HD12 ' A' ' 18' ' ' LEU . 51.2 mt -98.39 127.35 44.29 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.078 0.466 . . . . 0.0 111.072 -178.318 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.668 ' HB3' ' HB2' ' A' ' 28' ' ' GLN . 4.7 t60 -98.27 106.53 18.83 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.868 -177.209 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.741 ' HA ' ' HA ' ' A' ' 26' ' ' VAL . 6.6 mp -92.95 170.6 9.54 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 178.268 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.94 7.23 0.97 Allowed 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 -175.497 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -121.2 -52.99 2.05 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 175.669 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.98 178.27 9.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.296 -0.866 . . . . 0.0 110.376 -177.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 61.5 m -98.11 151.6 20.22 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.036 0.446 . . . . 0.0 111.1 -179.552 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 63.7 mt -124.17 144.96 32.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 176.395 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.478 ' SG ' HD23 ' A' ' 13' ' ' LEU . 40.8 t -101.91 129.69 48.23 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.277 0.56 . . . . 0.0 111.484 -174.519 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -120.93 143.04 34.43 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.646 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.742 -178.194 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 42.8 t-80 -56.9 122.83 55.34 Favored Pre-proline 0 C--O 1.224 -0.278 0 CA-C-N 115.668 -0.697 . . . . 0.0 109.457 173.439 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.733 ' HG3' ' HA ' ' A' ' 42' ' ' ALA . 87.2 Cg_exo -44.02 -52.88 5.13 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 123.072 2.514 . . . . 0.0 113.49 -173.684 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -86.94 75.57 9.54 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.356 0.598 . . . . 0.0 110.242 174.815 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 47.2 t-20 -128.59 125.51 23.14 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.36 177.592 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -48.57 -36.02 30.67 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 123.07 2.513 . . . . 0.0 112.749 177.447 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.54 ' HA ' ' OE1' ' A' ' 63' ' ' GLN . 5.7 m -62.68 -32.71 73.84 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.449 -177.246 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.465 ' HG ' ' CB ' ' A' ' 43' ' ' PHE . 0.5 OUTLIER -77.31 -47.39 20.14 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 -178.867 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.0 m -61.63 -49.86 74.88 Favored 'General case' 0 C--O 1.246 0.92 0 CA-C-O 121.52 0.676 . . . . 0.0 110.678 178.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.54 ' OE1' ' HA ' ' A' ' 60' ' ' SER . 2.9 pt20 -63.59 -27.63 69.38 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.772 179.218 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 17.8 t-105 -64.3 -36.76 85.14 Favored 'General case' 0 C--O 1.219 -0.55 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.619 178.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -56.68 -41.66 77.7 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.49 -0.484 . . . . 0.0 109.96 175.311 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.44 ' O ' ' HB3' ' A' ' 69' ' ' GLU . 6.5 mm-40 -71.51 -47.82 52.87 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-O 121.777 0.798 . . . . 0.0 111.162 177.434 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.436 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 13.7 m170 -71.97 -30.47 65.31 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.312 -173.432 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 16.7 tm0? -68.09 -37.72 81.53 Favored 'General case' 0 CA--C 1.517 -0.303 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 175.152 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.44 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 13.7 tp10 -52.41 -35.52 52.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.092 178.196 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.429 HH11 ' HD3' ' A' ' 70' ' ' ARG . 15.1 ptt180 -114.19 32.11 6.13 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 120.571 -0.452 . . . . 0.0 111.881 176.401 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.506 ' HG2' ' H ' ' A' ' 72' ' ' LEU . 25.9 ttmt -142.95 -167.93 2.66 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 174.861 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.506 ' H ' ' HG2' ' A' ' 71' ' ' LYS . 9.6 mp . . . . . 0 N--CA 1.467 0.392 0 CA-C-O 121.307 0.575 . . . . 0.0 111.242 -172.254 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.429 ' HA ' ' HB2' ' A' ' 38' ' ' CYS . 49.3 t . . . . . 0 N--CA 1.452 -0.355 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 56.2 m -84.95 118.61 24.65 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.872 -176.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.7 p -81.29 -40.71 23.25 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-O 121.334 0.587 . . . . 0.0 109.938 172.797 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.29 156.85 17.99 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.667 175.044 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.503 HD13 ' HB3' ' A' ' 55' ' ' HIS . 94.8 mt -136.02 151.97 50.43 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.439 179.659 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -76.95 -47.75 20.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.924 -175.008 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 72.3 mtt180 67.71 6.7 5.2 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 112.907 0.706 . . . . 0.0 112.907 175.382 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt -118.23 151.07 48.81 Favored Pre-proline 0 C--N 1.322 -0.617 0 C-N-CA 120.985 -0.286 . . . . 0.0 110.898 -178.735 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_exo -65.78 125.45 14.3 Favored 'Trans proline' 0 C--O 1.236 0.395 0 C-N-CA 122.998 2.465 . . . . 0.0 111.847 175.562 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.635 HD21 HG21 ' A' ' 52' ' ' ILE . 60.1 mt -77.54 141.47 39.56 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.279 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.558 ' HB2' ' HG ' ' A' ' 22' ' ' LEU . 5.1 m -70.31 146.18 50.73 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.607 -178.293 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -56.91 -32.92 66.42 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.422 0.629 . . . . 0.0 110.956 -177.526 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -67.09 -38.56 85.91 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.923 -1.035 . . . . 0.0 111.381 -177.059 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.558 ' HG ' ' HB2' ' A' ' 19' ' ' SER . 0.7 OUTLIER -74.27 -37.07 63.81 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 175.31 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.529 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 21.4 mt -64.57 -40.53 95.72 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.139 -1.391 . . . . 0.0 112.386 -174.481 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -66.26 0.1 2.26 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 177.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -118.11 14.18 13.97 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.123 0.487 . . . . 0.0 110.874 -179.561 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.502 ' O ' ' HG ' ' A' ' 72' ' ' LEU . 20.7 t -77.56 136.34 24.49 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.775 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.97 176.135 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.457 HD13 ' HA ' ' A' ' 48' ' ' ALA . 29.4 pt -111.86 -25.11 3.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.419 -177.282 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.62 ' HB2' ' HB3' ' A' ' 46' ' ' HIS . 77.5 mm-40 -146.58 149.19 33.09 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.932 0.396 . . . . 0.0 111.244 -175.672 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 4.0 p -124.25 116.43 47.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 172.025 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -118.98 145.05 46.14 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.294 0.569 . . . . 0.0 111.844 -169.563 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 50.3 tp -101.41 114.46 28.48 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.435 177.703 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.427 ' O ' ' HA ' ' A' ' 41' ' ' GLN . 38.5 tt0 -82.88 105.41 13.87 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.37 173.518 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -71.18 147.94 47.81 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.957 0.408 . . . . 0.0 111.16 -179.497 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.472 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . . . -76.58 0.05 21.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.493 178.443 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -153.25 112.02 3.72 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.397 -0.82 . . . . 0.0 108.845 177.687 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 122.79 -78.34 0.35 Allowed Glycine 0 N--CA 1.446 -0.675 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.345 -175.412 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -66.88 -41.04 87.91 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-O 121.219 0.533 . . . . 0.0 110.219 177.404 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.429 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 5.9 t -156.37 -169.66 3.1 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.751 -175.094 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -98.88 -21.07 16.49 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.041 0.448 . . . . 0.0 110.688 177.852 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -119.17 161.33 20.53 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 177.041 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.472 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 35.0 tt0 -101.32 138.61 38.11 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.841 -175.637 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.566 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -153.83 143.14 21.48 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 178.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -93.64 106.45 18.42 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 170.198 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 73.8 t -104.74 135.8 41.11 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.95 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.728 -171.526 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.551 HD12 HD12 ' A' ' 18' ' ' LEU . 81.6 mt -103.31 130.77 50.66 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.165 -176.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.62 ' HB3' ' HB2' ' A' ' 28' ' ' GLN . 3.5 t60 -112.1 116.81 31.11 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.171 -169.488 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.5 mp -99.35 169.86 9.05 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 173.403 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.457 ' HA ' HD13 ' A' ' 27' ' ' ILE . . . -57.25 -24.18 53.06 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.748 0.648 . . . . 0.0 112.748 -175.558 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.3 mp0 -135.71 -0.89 2.55 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.684 -177.039 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 20.7 mtp180 -139.11 148.13 42.85 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.136 -171.069 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 12.9 m -126.94 123.5 37.31 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 175.495 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.635 HG21 HD21 ' A' ' 18' ' ' LEU . 68.3 mt -114.09 127.07 71.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-O 120.792 0.33 . . . . 0.0 110.305 -176.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 19.5 m -101.46 124.46 47.16 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.073 0.464 . . . . 0.0 110.867 -170.762 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 56.8 mt -131.94 134.1 60.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.99 -175.679 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.503 ' HB3' HD13 ' A' ' 13' ' ' LEU . 1.2 p80 -67.49 138.06 93.69 Favored Pre-proline 0 N--CA 1.462 0.14 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 172.865 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.566 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 63.1 Cg_exo -51.28 -34.24 48.59 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 123.228 2.619 . . . . 0.0 113.077 -174.709 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 19.7 mp0 -84.35 57.01 4.03 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.483 -178.205 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -136.87 129.16 17.13 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.492 -177.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -51.43 -37.99 62.67 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 123.263 2.642 . . . . 0.0 113.334 -177.485 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.2 t -58.3 -37.31 74.79 Favored 'General case' 0 C--O 1.222 -0.368 0 CA-C-N 116.667 -0.242 . . . . 0.0 111.121 -178.524 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.406 HD22 ' HA ' ' A' ' 61' ' ' LEU . 0.4 OUTLIER -76.65 -45.97 27.68 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 -174.229 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 24.6 t -62.82 -48.52 78.72 Favored 'General case' 0 C--O 1.243 0.735 0 CA-C-O 121.239 0.542 . . . . 0.0 110.51 178.555 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -61.41 -31.61 71.54 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.604 176.687 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.685 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 12.4 t-105 -70.77 -36.41 73.05 Favored 'General case' 0 C--O 1.216 -0.664 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.468 -179.812 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.2 m-30 -52.23 -43.42 64.28 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.08 0.466 . . . . 0.0 110.259 176.259 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -64.6 -56.32 14.71 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-O 121.549 0.69 . . . . 0.0 111.065 174.684 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.527 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 32.8 m170 -69.91 -32.12 70.27 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.451 -0.795 . . . . 0.0 112.696 -169.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.685 ' HG2' ' O ' ' A' ' 64' ' ' TRP . 4.1 pt20 -73.36 -35.39 65.95 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 117.898 0.317 . . . . 0.0 110.376 178.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -58.15 -32.86 68.58 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.383 0.611 . . . . 0.0 110.114 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.407 ' H ' ' HG2' ' A' ' 70' ' ' ARG . 0.8 OUTLIER -114.82 35.38 4.31 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.848 179.001 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.625 ' HB3' HD13 ' A' ' 72' ' ' LEU . 20.8 ttmt -147.26 -164.92 2.11 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 119.158 -0.449 . . . . 0.0 109.835 176.237 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.625 HD13 ' HB3' ' A' ' 71' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.946 0 N-CA-C 114.972 1.471 . . . . 0.0 114.972 -172.274 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.52 ' HB2' ' OD1' ' A' ' 37' ' ' ASP . 38.3 t . . . . . 0 CA--C 1.518 -0.263 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 64.7 m -72.68 118.74 15.98 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.844 -1.071 . . . . 0.0 111.294 -172.677 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.0 p -87.31 -0.39 56.68 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.585 175.035 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -138.14 162.17 34.91 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.316 -0.857 . . . . 0.0 109.801 175.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.52 HD13 ' HB2' ' A' ' 55' ' ' HIS . 43.2 mt -138.52 135.32 34.95 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.686 0.279 . . . . 0.0 110.431 -177.668 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -66.21 -43.44 86.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.527 -176.6 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 81.5 mtm180 73.9 -44.21 0.56 Allowed 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 115.531 -0.759 . . . . 0.0 112.352 174.565 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.418 ' HA ' ' HD3' ' A' ' 16' ' ' LYS . 35.2 mmtm -71.85 148.48 92.25 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-O 120.699 0.285 . . . . 0.0 111.157 179.679 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -63.61 143.57 87.63 Favored 'Trans proline' 0 C--O 1.236 0.406 0 C-N-CA 122.623 2.216 . . . . 0.0 111.845 177.742 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.698 ' HB3' HD11 ' A' ' 22' ' ' LEU . 48.0 mt -89.15 148.86 23.43 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.352 -177.81 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.605 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 13.8 m -68.69 133.37 48.33 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.635 179.333 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.53 ' OD1' ' HE3' ' A' ' 71' ' ' LYS . 23.3 t70 -60.41 -28.75 68.5 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.109 0.48 . . . . 0.0 110.973 -176.679 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.63 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 58.3 mttp -66.4 -45.18 80.84 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.184 178.112 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.698 HD11 ' HB3' ' A' ' 18' ' ' LEU . 4.5 pp -73.32 -27.39 61.5 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.023 176.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.618 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 50.2 mt -62.51 -46.55 87.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.028 177.759 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.63 ' HG2' ' O ' ' A' ' 21' ' ' LYS . 13.3 ptm180 -62.55 -12.72 24.34 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 120.977 0.418 . . . . 0.0 111.02 -179.478 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -101.15 9.84 41.53 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.872 179.044 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.695 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 9.5 t -79.99 132.41 31.94 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.862 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 172.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.604 HD13 ' HA ' ' A' ' 48' ' ' ALA . 10.7 pt -97.42 -36.6 6.17 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.36 -176.267 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 75.0 mm-40 -146.28 157.6 43.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.119 0.485 . . . . 0.0 111.328 -178.041 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.414 HG13 HD23 ' A' ' 45' ' ' LEU . 65.7 t -116.09 134.36 59.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 175.569 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.447 ' HG3' ' HB ' ' A' ' 44' ' ' VAL . 9.6 pt-20 -125.78 137.45 53.79 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.384 0.611 . . . . 0.0 111.247 -176.689 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 47.5 tp -97.18 115.27 27.26 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.326 179.112 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.413 ' O ' ' HA ' ' A' ' 41' ' ' GLN . 41.8 tt0 -70.98 104.36 2.95 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 174.234 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -69.91 130.04 41.16 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.651 -176.843 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.684 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . . . -79.61 23.6 0.41 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.608 -178.092 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -155.94 -59.43 0.1 Allowed 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.992 -0.283 . . . . 0.0 111.604 -178.025 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -61.27 -39.63 97.47 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 121.11 -0.567 . . . . 0.0 113.271 -176.039 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.52 ' OD1' ' HB2' ' A' ' 9' ' ' CYS . 9.9 t0 -110.32 -61.88 1.6 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.38 0.61 . . . . 0.0 110.39 -178.815 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.4 t -112.18 178.03 4.44 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.452 -171.144 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -87.91 -30.76 19.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.137 0.494 . . . . 0.0 110.628 174.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.404 ' HG ' ' NE2' ' A' ' 32' ' ' GLN . 0.7 OUTLIER -111.96 157.37 20.78 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.369 -179.567 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.684 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 35.8 tt0 -99.0 143.42 29.3 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.541 179.536 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.471 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -150.08 148.6 29.19 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.043 177.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.544 ' O ' ' HB ' ' A' ' 54' ' ' ILE . 34.8 m-85 -99.08 106.8 19.06 Favored 'General case' 0 C--N 1.312 -1.042 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 174.672 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.447 ' HB ' ' HG3' ' A' ' 30' ' ' GLU . 60.2 t -106.3 131.04 57.0 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.946 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.81 -171.385 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.657 HD12 HD12 ' A' ' 18' ' ' LEU . 63.4 mt -104.08 130.04 51.77 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.176 -177.399 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -114.32 107.99 16.31 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.234 -171.748 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.695 ' HA ' ' HA ' ' A' ' 26' ' ' VAL . 6.3 mp -79.15 168.58 19.41 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 174.127 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.604 ' HA ' HD13 ' A' ' 27' ' ' ILE . . . -55.57 -23.02 24.63 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.095 0.474 . . . . 0.0 111.977 179.206 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -138.34 3.84 2.39 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.904 -173.033 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.506 ' HB2' ' HB2' ' A' ' 47' ' ' LEU . 82.5 mtp180 -141.07 157.46 45.28 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.895 0.379 . . . . 0.0 111.718 -172.183 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 12.9 m -134.71 124.2 24.88 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.345 175.509 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.594 HG21 HD21 ' A' ' 18' ' ' LEU . 66.3 mt -125.91 132.69 70.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 110.371 -0.233 . . . . 0.0 110.371 -177.486 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 38.3 m -101.65 121.52 42.17 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.295 0.569 . . . . 0.0 110.622 -174.131 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.544 ' HB ' ' O ' ' A' ' 43' ' ' PHE . 22.8 mt -117.97 133.87 63.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.161 -176.465 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.52 ' HB2' HD13 ' A' ' 13' ' ' LEU . 53.3 t-80 -71.34 135.07 84.46 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.916 174.743 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 59.7 Cg_exo -52.86 159.78 4.73 Favored 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 122.823 2.348 . . . . 0.0 112.071 175.828 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 20.4 mp0 64.86 28.04 12.81 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.418 0.627 . . . . 0.0 111.205 -176.256 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 43.1 t-20 -103.0 124.45 38.47 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.205 174.288 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -48.65 -38.81 37.3 Favored 'Trans proline' 0 N--CA 1.463 -0.293 0 C-N-CA 123.184 2.589 . . . . 0.0 112.995 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 20.1 t -63.41 -29.87 71.09 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.503 0.192 . . . . 0.0 111.18 -176.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.496 ' HG ' ' CB ' ' A' ' 43' ' ' PHE . 1.1 tm? -80.15 -48.65 12.85 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 -179.279 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 21.6 m -63.17 -48.62 77.61 Favored 'General case' 0 C--O 1.241 0.638 0 CA-C-O 121.366 0.603 . . . . 0.0 110.764 179.669 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -60.39 -28.05 67.92 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.381 176.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.642 ' CZ2' HD21 ' A' ' 72' ' ' LEU . 16.9 t-105 -66.71 -33.95 76.76 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.885 -0.326 . . . . 0.0 111.151 178.505 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -59.77 -39.88 86.35 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.455 -0.498 . . . . 0.0 110.047 175.242 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -74.89 -43.43 54.38 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-O 121.488 0.661 . . . . 0.0 110.623 177.836 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.48 ' O ' ' HG2' ' A' ' 70' ' ' ARG . 9.0 m170 -65.43 -41.71 93.24 Favored 'General case' 0 C--O 1.223 -0.314 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.532 -178.426 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.439 ' HB2' ' HG ' ' A' ' 72' ' ' LEU . 11.4 pt20 -65.26 -34.72 79.03 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 -179.455 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -56.32 -31.32 63.58 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.745 178.453 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.48 ' HG2' ' O ' ' A' ' 67' ' ' HIS . 5.9 ptp180 -103.65 11.9 35.49 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.732 -179.314 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.53 ' HE3' ' OD1' ' A' ' 20' ' ' ASP . 52.7 mttm -137.79 -144.75 0.19 Allowed 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.702 0.287 . . . . 0.0 110.55 179.25 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.642 HD21 ' CZ2' ' A' ' 64' ' ' TRP . 0.2 OUTLIER . . . . . 0 C--N 1.341 0.229 0 CA-C-N 115.736 -0.666 . . . . 0.0 112.699 174.134 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 49.4 t . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 121.257 0.551 . . . . 0.0 109.777 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 97.8 m -86.08 118.79 25.77 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.016 -178.664 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.1 p -91.45 4.72 51.81 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.948 177.429 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -150.66 165.67 32.69 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.541 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.457 HD13 ' HB2' ' A' ' 55' ' ' HIS . 56.9 mt -129.03 149.26 50.92 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.418 -177.789 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.406 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 24.0 t80 -82.21 -39.56 22.94 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.1 178.734 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.406 ' HB2' ' O ' ' A' ' 14' ' ' TYR . 41.6 mtp180 73.55 -46.24 0.63 Allowed 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 112.817 0.673 . . . . 0.0 112.817 175.341 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.412 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 45.2 mtmt -74.21 151.41 87.97 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-O 120.632 0.253 . . . . 0.0 111.486 -177.332 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 16' ' ' LYS . 7.4 Cg_exo -73.15 128.77 13.32 Favored 'Trans proline' 0 N--CA 1.462 -0.382 0 C-N-CA 122.885 2.39 . . . . 0.0 111.791 176.47 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.573 ' HB3' HD11 ' A' ' 22' ' ' LEU . 83.5 mt -74.32 159.82 31.9 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.663 -179.784 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.683 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 20.8 m -85.99 141.66 29.34 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.907 -179.701 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.476 ' OD1' ' HE3' ' A' ' 71' ' ' LYS . 16.6 t70 -60.76 -28.63 68.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.967 -173.595 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 49.7 mmtm -60.81 -42.89 98.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.928 178.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.683 ' HG ' ' O ' ' A' ' 19' ' ' SER . 3.8 pp -76.04 -25.7 55.9 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.842 176.686 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.458 ' HG ' ' CE3' ' A' ' 64' ' ' TRP . 5.7 mp -59.66 -42.97 94.04 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.539 178.596 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.3 ptp180 -68.09 3.96 1.41 Allowed 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 176.113 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.581 ' HD3' ' HA ' ' A' ' 22' ' ' LEU . 29.1 mtpp -106.88 -21.7 12.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.412 178.292 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.409 HG22 ' HG ' ' A' ' 47' ' ' LEU . 38.6 t -61.62 145.51 12.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.721 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.409 HG12 ' O ' ' A' ' 46' ' ' HIS . 36.6 pt -109.39 -29.46 2.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 C-N-CA 120.755 -0.378 . . . . 0.0 111.625 -177.438 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 70.2 mm-40 -148.53 151.05 34.45 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.143 0.496 . . . . 0.0 112.063 -174.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.6 p -111.46 124.25 68.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.253 -0.885 . . . . 0.0 108.705 171.38 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -122.67 149.95 43.35 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.826 0.346 . . . . 0.0 111.466 -168.686 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.557 HD13 ' CZ ' ' A' ' 43' ' ' PHE . 30.7 tp -120.87 114.48 21.64 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.174 0.512 . . . . 0.0 111.227 -177.882 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.447 ' O ' ' HA ' ' A' ' 41' ' ' GLN . 47.3 tt0 -89.28 107.94 19.34 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.475 -0.784 . . . . 0.0 108.981 172.837 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -75.0 150.18 39.06 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 -178.622 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.659 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . . . -75.67 23.75 0.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 -167.599 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -175.96 -20.08 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.418 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -58.61 -48.73 83.01 Favored Glycine 0 C--N 1.333 0.385 0 C-N-CA 121.063 -0.589 . . . . 0.0 112.346 178.456 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -108.01 -58.95 1.91 Allowed 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 175.429 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 71.6 m -137.08 156.42 48.41 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.395 -0.821 . . . . 0.0 109.52 179.673 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.1 p80 -72.92 70.35 1.01 Allowed 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 121.205 0.526 . . . . 0.0 111.688 -179.477 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.3 tt -173.61 124.67 0.38 Allowed 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 179.671 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.659 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 34.7 tt0 -90.54 116.66 28.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.072 0.463 . . . . 0.0 110.162 179.574 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -136.36 161.78 34.85 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.998 -177.495 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.557 ' CZ ' HD13 ' A' ' 31' ' ' LEU . 41.8 m-85 -120.0 124.24 45.44 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 171.421 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 38.8 t -100.89 121.81 52.16 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.072 0 CA-C-O 121.008 0.432 . . . . 0.0 110.093 -176.692 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.654 HD21 HD13 ' A' ' 61' ' ' LEU . 13.9 mt -91.87 103.25 15.82 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 108.342 -0.985 . . . . 0.0 108.342 177.553 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.409 ' O ' HG12 ' A' ' 27' ' ' ILE . 4.5 t-160 -96.18 106.26 18.43 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.191 -0.913 . . . . 0.0 111.729 -165.431 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.409 ' HG ' HG22 ' A' ' 26' ' ' VAL . 5.3 mp -93.97 160.45 14.72 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 171.233 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.57 -11.66 60.26 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.825 0.345 . . . . 0.0 111.788 -171.293 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.49 3.76 8.35 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.72 -177.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.9 ptm180 -175.26 147.27 0.88 Allowed 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 31.2 m -118.34 129.28 55.35 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.817 0.341 . . . . 0.0 110.131 178.268 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 73.0 mt -111.79 137.64 43.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.189 -177.703 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 61.1 m -102.43 121.72 42.89 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.97 0.414 . . . . 0.0 110.675 -175.069 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.488 HD11 ' HB2' ' A' ' 60' ' ' SER . 3.7 tt -123.33 148.41 27.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.907 -175.787 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.457 ' HB2' HD13 ' A' ' 13' ' ' LEU . 32.7 t-80 -92.79 135.93 25.56 Favored Pre-proline 0 C--N 1.322 -0.616 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 -177.819 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.45 ' HD2' ' CD2' ' A' ' 55' ' ' HIS . 67.2 Cg_exo -40.35 -38.11 2.22 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 124.027 3.151 . . . . 0.0 115.211 -177.009 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.42 -6.2 38.52 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 121.038 0.447 . . . . 0.0 112.14 -175.795 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.421 ' HB2' ' O ' ' A' ' 55' ' ' HIS . 2.4 m120 -66.35 118.04 49.54 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.744 -177.018 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.432 ' O ' ' HG3' ' A' ' 63' ' ' GLN . 17.8 Cg_endo -61.21 -22.74 75.54 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.387 2.058 . . . . 0.0 110.468 173.441 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.488 ' HB2' HD11 ' A' ' 54' ' ' ILE . 0.8 OUTLIER -58.43 -38.45 77.47 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.273 176.06 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.654 HD13 HD21 ' A' ' 45' ' ' LEU . 41.4 tp -78.56 -35.57 45.79 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.147 -178.085 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.3 m -57.74 -46.42 84.48 Favored 'General case' 0 C--O 1.238 0.456 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 172.082 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.432 ' HG3' ' O ' ' A' ' 59' ' ' PRO . 77.1 mt-30 -60.65 -44.32 96.54 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.311 -0.859 . . . . 0.0 109.842 173.835 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.525 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 10.5 t-105 -58.51 -48.46 80.75 Favored 'General case' 0 C--O 1.216 -0.698 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.364 -178.091 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -53.55 -39.45 64.74 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 117.953 0.342 . . . . 0.0 111.575 179.507 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -76.36 -42.26 45.31 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-O 121.339 0.59 . . . . 0.0 110.643 177.7 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 13.0 m170 -66.93 -43.1 84.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.206 -178.279 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.525 ' HG2' ' O ' ' A' ' 64' ' ' TRP . 12.8 pt20 -64.51 -29.71 70.74 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-O 120.836 0.35 . . . . 0.0 110.286 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -63.99 -29.11 70.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.398 178.325 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.3 ptt180 -107.96 10.26 28.42 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 120.693 -0.403 . . . . 0.0 111.147 178.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.476 ' HE3' ' OD1' ' A' ' 20' ' ' ASP . 63.2 mttm -125.68 -164.16 1.28 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.278 175.589 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.1 mp . . . . . 0 N--CA 1.464 0.254 0 O-C-N 123.762 0.664 . . . . 0.0 111.662 -179.739 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.803 ' HA ' ' OE1' ' A' ' 32' ' ' GLN . 38.2 t . . . . . 0 N--CA 1.448 -0.528 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 84.5 m -87.77 117.03 26.32 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.284 -0.871 . . . . 0.0 111.219 -174.083 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.3 p -86.11 -39.47 16.7 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.405 0.621 . . . . 0.0 109.725 172.025 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.26 163.55 16.05 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.016 -0.993 . . . . 0.0 110.751 175.161 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.521 HD13 ' HB3' ' A' ' 55' ' ' HIS . 61.1 mt -141.25 140.5 33.92 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.189 -177.876 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.614 ' CE2' ' HB2' ' A' ' 16' ' ' LYS . 77.2 t80 -83.55 -41.14 18.26 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 178.135 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 17.5 ptm180 48.19 27.3 1.25 Allowed 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.507 1.123 . . . . 0.0 113.997 172.032 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.614 ' HB2' ' CE2' ' A' ' 14' ' ' TYR . 68.3 mttm -123.18 147.89 53.19 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 122.153 -0.342 . . . . 0.0 110.34 178.788 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.416 ' HA ' ' HB2' ' A' ' 60' ' ' SER . 51.0 Cg_exo -55.7 124.45 16.31 Favored 'Trans proline' 0 C--O 1.238 0.481 0 C-N-CA 123.222 2.614 . . . . 0.0 113.365 -178.775 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.78 ' HB3' HD11 ' A' ' 22' ' ' LEU . 87.2 mt -93.52 148.21 22.28 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.338 178.166 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.612 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 11.3 m -89.25 151.25 22.24 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.728 -178.895 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.506 ' HA ' ' HB2' ' A' ' 23' ' ' LEU . 18.5 m-20 -59.33 -29.29 67.54 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.603 -0.272 . . . . 0.0 111.422 178.857 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -55.48 -48.88 73.88 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.376 178.83 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.78 HD11 ' HB3' ' A' ' 18' ' ' LEU . 3.9 pp -77.09 -33.8 56.99 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.932 175.735 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.506 ' HB2' ' HA ' ' A' ' 20' ' ' ASP . 2.2 tp -63.58 -35.83 81.79 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.551 -0.75 . . . . 0.0 112.26 -171.598 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -66.02 -12.18 53.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.934 0.397 . . . . 0.0 111.562 179.475 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.538 ' HE2' ' HA ' ' A' ' 22' ' ' LEU . 53.7 mtmt -96.92 5.94 49.57 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.16 -177.35 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.478 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 12.3 t -74.25 130.19 36.11 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.865 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.797 175.234 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.518 HD13 ' HA ' ' A' ' 48' ' ' ALA . 16.0 pt -105.32 -27.23 3.15 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.931 -178.423 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.45 ' HG2' HG13 ' A' ' 27' ' ' ILE . 81.0 mm-40 -137.82 134.26 34.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.511 -179.054 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 52.3 t -107.99 115.78 49.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 170.183 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -125.32 147.96 48.92 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.396 0.617 . . . . 0.0 111.779 -173.148 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 44.7 tp -111.09 108.83 18.66 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.498 -0.773 . . . . 0.0 109.928 176.143 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.803 ' OE1' ' HA ' ' A' ' 9' ' ' CYS . 8.8 tt0 -72.45 128.5 35.79 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 173.896 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -99.42 158.11 15.95 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 120.668 0.27 . . . . 0.0 110.692 -175.52 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.16 -11.77 58.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.113 -0.494 . . . . 0.0 112.026 -174.318 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -143.02 -6.99 0.83 Allowed 'General case' 0 C--N 1.317 -0.847 0 CA-C-O 121.284 0.564 . . . . 0.0 110.09 177.65 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -87.19 109.35 3.44 Favored Glycine 0 N--CA 1.448 -0.506 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.985 -178.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.6 t70 73.32 -53.45 0.7 Allowed 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 123.769 0.828 . . . . 0.0 110.323 -178.684 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 31.7 t -117.12 -165.83 1.11 Allowed 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.154 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 36.5 p-80 -124.51 28.47 6.6 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.546 0.573 . . . . 0.0 112.546 -174.741 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.5 pp -159.38 155.43 26.69 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 110.409 -0.219 . . . . 0.0 110.409 176.381 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.597 ' HA ' ' O ' ' A' ' 32' ' ' GLN . 62.2 tt0 -93.89 131.71 39.04 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.909 0.385 . . . . 0.0 110.817 -176.161 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.58 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -159.84 134.73 7.9 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.687 176.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.5 ' CB ' ' HG ' ' A' ' 61' ' ' LEU . 64.1 m-85 -84.89 103.1 13.65 Favored 'General case' 0 C--N 1.317 -0.848 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 172.066 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 85.1 t -99.84 134.9 37.64 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.931 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.401 -173.563 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.565 HD12 HD12 ' A' ' 18' ' ' LEU . 60.7 mt -105.49 119.54 39.35 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.889 -177.149 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -106.71 109.07 20.88 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.773 -171.371 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.478 ' HA ' ' HA ' ' A' ' 26' ' ' VAL . 7.0 mp -87.2 163.08 17.12 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 175.71 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.518 ' HA ' HD13 ' A' ' 27' ' ' ILE . . . -57.98 -25.48 61.09 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.853 -0.612 . . . . 0.0 112.225 -178.608 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -128.79 3.87 5.44 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.964 -0.562 . . . . 0.0 112.398 -170.591 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -167.37 170.8 11.15 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.861 -176.187 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 15.5 m -139.91 135.2 32.61 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.829 0.347 . . . . 0.0 110.725 -179.037 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 81.4 mt -124.77 129.3 73.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.57 -179.617 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 34.3 m -102.05 121.52 42.33 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.16 0.505 . . . . 0.0 110.645 -174.024 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 43.8 mt -122.47 138.91 51.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.019 -179.46 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.521 ' HB3' HD13 ' A' ' 13' ' ' LEU . 3.7 p80 -86.23 157.08 56.84 Favored Pre-proline 0 C--N 1.326 -0.429 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 177.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.58 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 19.2 Cg_endo -58.92 153.14 53.03 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.282 1.988 . . . . 0.0 111.421 175.609 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 32.3 mm-40 65.93 64.54 0.55 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.588 0.709 . . . . 0.0 110.501 -174.176 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -141.47 130.17 12.32 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 115.155 -0.93 . . . . 0.0 109.454 177.752 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -51.12 -31.76 36.95 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 123.54 2.827 . . . . 0.0 113.61 -177.088 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.416 ' HB2' ' HA ' ' A' ' 17' ' ' PRO . 4.2 t -70.51 -43.0 70.56 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.639 0.257 . . . . 0.0 110.808 -176.721 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.5 ' HG ' ' CB ' ' A' ' 43' ' ' PHE . 0.2 OUTLIER -70.76 -41.8 71.28 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 -176.044 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 27.9 t -58.54 -48.5 80.66 Favored 'General case' 0 C--O 1.24 0.576 0 CA-C-O 121.258 0.551 . . . . 0.0 109.938 177.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -60.34 -37.03 79.37 Favored 'General case' 0 C--O 1.224 -0.269 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.485 176.771 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.449 ' CE3' ' HG ' ' A' ' 23' ' ' LEU . 5.8 t-105 -68.97 -28.3 66.49 Favored 'General case' 0 C--O 1.217 -0.62 0 C-N-CA 121.06 -0.256 . . . . 0.0 111.313 -177.317 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -61.47 -50.7 71.69 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.17 -0.612 . . . . 0.0 110.074 173.537 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -64.33 -45.75 86.53 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-O 121.395 0.617 . . . . 0.0 110.627 176.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.535 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 12.2 m170 -68.72 -40.73 79.76 Favored 'General case' 0 C--O 1.217 -0.623 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.984 -175.279 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -64.17 -32.6 74.24 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.13 0.49 . . . . 0.0 110.227 -177.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -61.25 -32.71 72.51 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.838 176.383 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 -115.04 30.53 7.29 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.836 179.623 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.535 ' HB2' ' O ' ' A' ' 67' ' ' HIS . 7.5 tppt? -141.79 -155.49 0.59 Allowed 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 -178.06 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.495 ' H ' ' HG3' ' A' ' 71' ' ' LYS . 1.5 mm? . . . . . 0 C--O 1.233 0.199 0 C-N-CA 123.932 0.893 . . . . 0.0 113.312 -174.19 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 11.2 t . . . . . 0 N--CA 1.448 -0.538 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 59.6 m -71.35 117.46 12.91 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.894 -177.396 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 15.3 p -102.59 -3.36 26.84 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.683 0.754 . . . . 0.0 109.378 172.701 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.8 159.71 28.95 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.706 -1.133 . . . . 0.0 109.279 175.297 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 88.3 mt -134.76 142.77 46.82 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.583 0.23 . . . . 0.0 110.513 -176.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -65.34 -44.33 88.09 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.886 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 51.1 mtp180 66.3 7.65 5.06 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.579 -0.737 . . . . 0.0 112.503 172.653 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.447 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 72.6 mmtt -124.28 142.06 39.09 Favored Pre-proline 0 C--N 1.323 -0.555 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 179.809 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' A' ' 16' ' ' LYS . 32.3 Cg_exo -62.71 128.91 24.61 Favored 'Trans proline' 0 N--CA 1.463 -0.295 0 C-N-CA 122.837 2.358 . . . . 0.0 111.701 177.423 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.665 ' HB3' HD11 ' A' ' 22' ' ' LEU . 82.8 mt -77.45 156.32 31.16 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.055 -176.631 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.552 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 48.9 m -72.49 135.93 45.81 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.14 176.042 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -62.88 -28.66 70.19 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 121.124 0.488 . . . . 0.0 110.581 -176.46 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.462 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 27.1 mtpp -60.11 -49.24 78.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.861 178.735 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.665 HD11 ' HB3' ' A' ' 18' ' ' LEU . 4.4 pp -75.97 -27.58 57.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.973 0.416 . . . . 0.0 110.608 175.724 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.644 ' HG ' ' CZ3' ' A' ' 64' ' ' TRP . 14.5 tp -67.76 -37.34 81.97 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.104 -174.324 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.697 ' HB3' ' HD3' ' A' ' 71' ' ' LYS . 14.0 ptm180 -66.37 -5.7 11.68 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 121.041 0.448 . . . . 0.0 111.37 179.09 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.6 mtpt -105.32 7.29 33.33 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.738 -179.616 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.702 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 43.4 t -82.42 130.82 35.12 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.01 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 170.586 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 14.6 pt -99.2 -36.38 5.41 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.344 -175.408 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -142.68 157.52 44.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.831 0.348 . . . . 0.0 110.618 -177.191 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 4.5 p -111.84 115.86 50.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 172.28 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.412 ' H ' ' HG2' ' A' ' 30' ' ' GLU . 10.1 pt-20 -108.16 117.33 33.85 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.602 0.715 . . . . 0.0 111.388 -173.649 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 48.4 tp -76.86 118.66 19.68 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.75 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -79.92 110.71 15.55 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.241 172.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -80.53 147.2 30.94 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 179.245 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.635 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . . . -77.18 28.15 0.14 Allowed 'General case' 0 C--O 1.236 0.384 0 N-CA-C 112.907 0.706 . . . . 0.0 112.907 -167.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.431 ' H ' ' H ' ' A' ' 36' ' ' GLY . 12.5 t70 -177.39 -14.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.597 0.236 . . . . 0.0 111.038 -178.812 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.431 ' H ' ' H ' ' A' ' 35' ' ' ASP . . . -62.14 -74.39 0.41 Allowed Glycine 0 C--N 1.334 0.427 0 C-N-CA 121.315 -0.469 . . . . 0.0 113.099 -178.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -84.16 -44.6 13.82 Favored 'General case' 0 CA--C 1.516 -0.331 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 179.067 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 94.8 m -150.92 -176.55 5.58 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.329 -1.305 . . . . 0.0 108.632 172.469 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 16.3 p80 -78.24 173.75 11.94 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.754 -0.379 . . . . 0.0 110.091 174.487 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.2 tm? 75.92 121.6 0.05 OUTLIER 'General case' 0 N--CA 1.471 0.621 0 O-C-N 124.241 0.963 . . . . 0.0 110.373 -179.568 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.635 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 63.7 tt0 -94.31 131.25 40.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.499 -179.41 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.505 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -147.91 163.03 38.06 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.946 -179.211 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.455 ' O ' ' HB ' ' A' ' 54' ' ' ILE . 2.3 m-85 -109.27 103.7 12.7 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 174.489 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.447 HG13 ' O ' ' A' ' 52' ' ' ILE . 57.9 t -99.68 131.17 47.57 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.696 -171.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 64.3 mt -94.41 124.37 38.39 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.24 0.543 . . . . 0.0 110.569 -178.68 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 10.8 t60 -102.18 103.59 14.12 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.989 -172.733 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.702 ' HA ' ' HA ' ' A' ' 26' ' ' VAL . 6.0 mp -79.97 161.96 25.19 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 172.096 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.13 -13.85 20.42 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -178.154 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.4 mp0 -109.99 -42.73 4.14 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.155 -177.648 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.7 168.86 24.98 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.66 -0.245 . . . . 0.0 111.123 -174.391 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.1 m -110.76 157.15 20.09 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.032 0.444 . . . . 0.0 111.757 -176.564 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.447 ' O ' HG13 ' A' ' 44' ' ' VAL . 62.2 mt -125.71 143.9 37.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.127 175.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 25.1 m -99.93 121.52 41.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.025 0.44 . . . . 0.0 110.501 -171.46 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.455 ' HB ' ' O ' ' A' ' 43' ' ' PHE . 5.8 mt -126.44 144.74 35.58 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.722 -174.391 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 20.9 t-80 -65.58 129.46 94.36 Favored Pre-proline 0 CA--C 1.531 0.242 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.689 176.115 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.505 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 72.7 Cg_exo -48.85 -42.61 37.09 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.911 2.408 . . . . 0.0 113.11 -178.694 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 26.1 mm-40 -93.49 78.78 4.36 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 174.183 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -140.31 131.41 14.08 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.905 179.493 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -52.91 -34.85 68.31 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 123.059 2.506 . . . . 0.0 112.982 -177.188 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.4 t -63.75 -30.23 71.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.281 -178.309 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.46 ' O ' ' HB3' ' A' ' 64' ' ' TRP . 0.4 OUTLIER -79.99 -43.61 21.69 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 -176.913 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.0 p -66.59 -44.69 81.5 Favored 'General case' 0 C--O 1.242 0.702 0 CA-C-O 121.684 0.754 . . . . 0.0 110.946 178.341 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -60.56 -28.44 68.46 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.09 175.695 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.649 ' CH2' HD11 ' A' ' 72' ' ' LEU . 13.1 t-105 -61.62 -46.07 91.38 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.803 178.473 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -53.16 -41.11 64.86 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.843 0.354 . . . . 0.0 110.541 177.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -76.21 -38.87 55.89 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.054 0.454 . . . . 0.0 111.103 179.368 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.669 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 8.9 m170 -70.42 -45.85 65.09 Favored 'General case' 0 C--O 1.219 -0.539 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.408 -177.612 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -65.38 -29.72 70.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.992 0.425 . . . . 0.0 110.173 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -57.65 -34.73 69.65 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.974 175.636 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 -114.24 27.29 9.6 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.251 -178.727 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.697 ' HD3' ' HB3' ' A' ' 24' ' ' ARG . 4.5 ttmm -146.54 -158.16 0.88 Allowed 'General case' 0 C--N 1.328 -0.368 0 O-C-N 122.294 -0.254 . . . . 0.0 110.733 -174.599 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.649 HD11 ' CH2' ' A' ' 64' ' ' TRP . 6.9 mp . . . . . 0 C--N 1.342 0.245 0 CA-C-O 120.777 0.322 . . . . 0.0 110.901 -175.263 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 92.2 m . . . . . 0 N--CA 1.448 -0.55 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.462 ' HB2' ' OE1' ' A' ' 32' ' ' GLN . 62.2 m -64.64 129.69 40.76 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.061 178.69 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 13.8 t -128.5 12.3 6.41 Favored 'General case' 0 C--N 1.312 -1.055 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 171.165 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -144.81 146.08 31.94 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 113.991 -1.459 . . . . 0.0 109.552 -179.558 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 68.5 mt -132.48 122.5 24.99 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 179.193 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -59.26 -50.68 73.06 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.752 -176.038 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.411 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 40.9 ttp180 63.93 25.82 14.04 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.681 0.753 . . . . 0.0 111.091 174.775 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.556 ' HD2' ' HD2' ' A' ' 17' ' ' PRO . 22.2 mmtp -140.06 154.9 70.78 Favored Pre-proline 0 C--N 1.319 -0.743 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.051 177.725 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.723 ' HA ' ' OG ' ' A' ' 60' ' ' SER . 31.5 Cg_endo -64.18 142.14 78.94 Favored 'Trans proline' 0 N--CA 1.462 -0.327 0 C-N-CA 122.666 2.244 . . . . 0.0 112.099 176.352 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 87.4 mt -98.13 167.12 11.07 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.356 177.408 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.669 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 16.5 m -99.09 137.17 38.0 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.806 -179.043 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -63.28 -27.4 69.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.575 -179.007 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 38.4 mttm -54.93 -49.72 70.64 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.021 0.439 . . . . 0.0 109.852 178.662 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.669 ' HG ' ' O ' ' A' ' 19' ' ' SER . 4.0 pp -76.16 -36.36 58.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.677 175.866 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.438 ' HG ' ' CZ3' ' A' ' 64' ' ' TRP . 6.7 tp -63.21 -36.96 85.38 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.675 -0.693 . . . . 0.0 112.138 -170.183 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.3 ptp180 -64.7 -11.81 39.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.872 0.368 . . . . 0.0 111.275 179.726 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -101.28 13.17 35.94 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.264 -177.309 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.794 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 20.3 t -72.01 147.62 10.39 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.695 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.486 172.699 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 13.3 pt -114.13 -35.76 2.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 C-N-CA 121.151 -0.22 . . . . 0.0 111.346 179.356 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 -141.41 157.62 44.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.795 0.331 . . . . 0.0 110.762 -178.35 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 46.9 t -119.36 120.83 64.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 174.735 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.407 ' CD ' ' HD1' ' A' ' 46' ' ' HIS . 0.1 OUTLIER -124.11 111.25 15.71 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.336 -171.703 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.534 ' H ' HD23 ' A' ' 31' ' ' LEU . 2.0 pt? -90.22 130.05 36.4 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.361 0.601 . . . . 0.0 109.94 176.202 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.535 ' O ' ' HA ' ' A' ' 41' ' ' GLN . 58.2 tt0 -77.44 105.48 8.6 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.596 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -73.3 134.92 44.34 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 176.165 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.528 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . . . -67.85 7.7 0.49 Allowed 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 114.12 1.155 . . . . 0.0 114.12 -167.236 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -175.66 -21.68 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 178.499 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -70.92 -33.33 65.84 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.882 -0.675 . . . . 0.0 111.877 174.059 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -110.72 -50.47 2.95 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.151 0.501 . . . . 0.0 110.301 179.004 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 19.6 t -168.43 161.35 11.78 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.827 -1.175 . . . . 0.0 107.827 -178.799 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 15.2 t60 -74.64 78.41 2.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 118.754 0.706 . . . . 0.0 112.22 -172.744 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.508 ' O ' ' HA ' ' A' ' 34' ' ' ALA . 62.5 tp 174.09 153.56 0.11 Allowed 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 124.328 1.051 . . . . 0.0 108.452 171.696 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.535 ' HA ' ' O ' ' A' ' 32' ' ' GLN . 29.8 tt0 -113.1 121.9 45.94 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 176.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.499 ' HA ' ' HG3' ' A' ' 56' ' ' PRO . . . -155.55 176.16 12.96 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 -178.074 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.427 ' HB2' HG22 ' A' ' 54' ' ' ILE . 74.1 m-85 -126.44 112.05 15.16 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.258 -0.428 . . . . 0.0 109.878 175.726 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 11.4 t -104.33 132.62 50.48 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-O 121.026 0.441 . . . . 0.0 110.476 -175.132 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 70.2 mt -104.58 119.0 37.98 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.889 -179.626 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.407 ' HD1' ' CD ' ' A' ' 30' ' ' GLU . 3.8 t60 -104.42 103.53 13.25 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.418 -168.429 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.794 ' HA ' ' HA ' ' A' ' 26' ' ' VAL . 6.5 mp -83.3 159.55 21.88 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 173.303 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.53 -3.66 9.32 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.646 0.26 . . . . 0.0 111.321 178.305 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.429 ' HB2' ' HD3' ' A' ' 50' ' ' ARG . 0.0 OUTLIER -109.77 -47.75 3.31 Favored 'General case' 0 N--CA 1.446 -0.656 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 -179.544 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.429 ' HD3' ' HB2' ' A' ' 49' ' ' GLN . 0.0 OUTLIER -156.88 174.67 15.16 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.137 -177.377 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.2 m -124.1 135.63 53.68 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.657 0.265 . . . . 0.0 110.745 -178.838 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 4.9 mp -107.88 136.44 43.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 174.775 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 44.4 t -101.7 127.84 48.28 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.64 0.733 . . . . 0.0 110.132 -178.348 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.427 HG22 ' HB2' ' A' ' 43' ' ' PHE . 0.2 OUTLIER -111.43 134.72 52.88 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.872 0 CA-C-N 115.098 -0.955 . . . . 0.0 111.166 -173.907 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.591 ' O ' ' HB2' ' A' ' 58' ' ' ASN . 50.3 t60 -63.3 132.87 95.26 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.344 172.323 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.499 ' HG3' ' HA ' ' A' ' 42' ' ' ALA . 50.3 Cg_exo -53.76 141.48 65.05 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 121.926 1.75 . . . . 0.0 111.789 178.557 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.498 ' HB2' ' O ' ' A' ' 56' ' ' PRO . 21.5 mp0 74.95 17.06 2.82 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 123.428 0.691 . . . . 0.0 111.181 -175.641 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.591 ' HB2' ' O ' ' A' ' 55' ' ' HIS . 6.7 t30 -76.26 130.57 77.2 Favored Pre-proline 0 C--O 1.235 0.301 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 174.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.516 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 3.9 Cg_endo -46.3 -47.75 14.5 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 123.693 2.929 . . . . 0.0 113.045 -177.078 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.723 ' OG ' ' HA ' ' A' ' 17' ' ' PRO . 66.3 m -63.02 -19.43 64.36 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 113.186 0.809 . . . . 0.0 113.186 -176.239 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.91 -39.98 29.2 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 179.742 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 40.9 t -69.39 -50.92 41.58 Favored 'General case' 0 C--O 1.244 0.794 0 CA-C-O 121.375 0.607 . . . . 0.0 110.812 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.516 ' HG2' ' O ' ' A' ' 59' ' ' PRO . 2.7 pt20 -61.17 -27.52 68.47 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.967 177.066 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.52 ' HB2' ' O ' ' A' ' 60' ' ' SER . 5.4 t-105 -61.91 -39.07 90.74 Favored 'General case' 0 C--O 1.22 -0.48 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.342 179.06 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.792 ' HA ' ' NE2' ' A' ' 68' ' ' GLN . 10.4 m-85 -59.05 -35.71 73.78 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.995 0.426 . . . . 0.0 110.812 176.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.424 ' O ' ' HB3' ' A' ' 69' ' ' GLU . 37.1 mt-10 -74.79 -46.89 33.92 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-O 121.708 0.766 . . . . 0.0 110.907 175.746 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.583 ' HB3' ' HE2' ' A' ' 71' ' ' LYS . 16.8 m170 -68.22 -41.39 81.36 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.227 -175.423 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.792 ' NE2' ' HA ' ' A' ' 65' ' ' PHE . 15.5 pt20 -67.23 -26.86 66.8 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 -179.627 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.424 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 8.2 tp10 -60.95 -29.57 69.71 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.151 175.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.413 ' HG2' ' O ' ' A' ' 67' ' ' HIS . 17.4 ptp180 -114.58 12.17 17.2 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -177.046 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.583 ' HE2' ' HB3' ' A' ' 67' ' ' HIS . 61.8 mttm -130.57 -156.17 0.74 Allowed 'General case' 0 N--CA 1.469 0.479 0 O-C-N 122.111 -0.368 . . . . 0.0 110.977 177.726 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.0 mp . . . . . 0 CA--C 1.513 -0.451 0 N-CA-C 114.253 1.205 . . . . 0.0 114.253 175.772 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.452 ' HA ' ' HB2' ' A' ' 38' ' ' CYS . 33.1 t . . . . . 0 C--O 1.233 0.219 0 N-CA-C 106.387 -1.709 . . . . 0.0 106.387 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.432 ' O ' HD11 ' A' ' 40' ' ' LEU . 8.3 t -59.11 118.38 5.79 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 113.207 -1.815 . . . . 0.0 110.638 -174.186 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.9 p -85.08 -56.35 3.6 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.323 -179.314 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.419 ' NE2' ' SG ' ' A' ' 10' ' ' CYS . 0.2 OUTLIER -76.54 137.35 39.53 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.549 0.69 . . . . 0.0 111.401 178.062 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.452 HD13 ' HA ' ' A' ' 55' ' ' HIS . 83.2 mt -119.55 144.84 46.84 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 -177.698 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -76.34 -34.72 58.98 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.574 -0.284 . . . . 0.0 110.836 -175.52 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.772 ' HG3' ' H ' ' A' ' 16' ' ' LYS . 5.7 tpt180 63.58 -177.42 0.15 Allowed 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 -176.846 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.772 ' H ' ' HG3' ' A' ' 15' ' ' ARG . 36.4 mtmm 68.41 166.86 0.12 Allowed Pre-proline 0 N--CA 1.466 0.372 0 CA-C-O 120.915 0.388 . . . . 0.0 111.441 177.148 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.5 ' HA ' ' HB2' ' A' ' 60' ' ' SER . 1.7 Cg_endo -84.3 138.33 7.55 Favored 'Trans proline' 0 N--CA 1.454 -0.803 0 C-N-CA 122.754 2.303 . . . . 0.0 111.259 170.486 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.425 ' HB2' HD21 ' A' ' 23' ' ' LEU . 89.3 mt -80.5 144.26 32.66 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.943 -0.392 . . . . 0.0 109.943 178.198 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.6 ' HB2' ' HG ' ' A' ' 22' ' ' LEU . 48.3 m -61.48 147.45 45.22 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.909 179.921 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -56.76 -37.21 70.75 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.879 -177.51 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -56.99 -44.01 82.3 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.955 177.759 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.6 ' HG ' ' HB2' ' A' ' 19' ' ' SER . 1.0 OUTLIER -73.38 -43.47 60.54 Favored 'General case' 0 CA--C 1.512 -0.493 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 -179.709 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.514 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 33.7 mt -58.53 -49.13 78.51 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 115.087 -0.961 . . . . 0.0 111.95 -174.214 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -61.71 -9.45 6.37 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -177.67 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 47.3 mtmt -99.52 -7.46 25.92 Favored 'General case' 0 C--O 1.236 0.395 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.816 179.623 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.679 HG22 ' HG ' ' A' ' 47' ' ' LEU . 39.9 t -74.82 133.39 31.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 175.608 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 19.8 pt -110.14 -22.72 4.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 112.445 0.535 . . . . 0.0 112.445 -173.519 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 70.2 mm-40 -149.16 156.98 43.0 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.964 0.411 . . . . 0.0 111.651 -179.462 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 43.8 t -112.94 128.5 69.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.401 177.33 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -119.16 139.37 51.93 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.937 0.398 . . . . 0.0 110.655 -176.361 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.461 HD13 ' CZ ' ' A' ' 43' ' ' PHE . 42.3 tp -105.13 119.43 39.02 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.15 0.5 . . . . 0.0 111.304 -179.285 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -87.02 104.7 16.56 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 170.609 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -74.28 144.6 44.52 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.778 -176.71 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.716 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . . . -78.14 5.76 9.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.515 -176.833 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -157.77 -30.79 0.08 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.966 179.612 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -71.0 3.29 13.75 Favored Glycine 0 CA--C 1.521 0.468 0 C-N-CA 120.996 -0.621 . . . . 0.0 113.383 -179.822 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -165.29 -65.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.408 0.623 . . . . 0.0 109.979 178.198 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.452 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 11.5 t -111.29 164.52 12.82 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.176 -0.92 . . . . 0.0 109.363 -175.336 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.3 p-80 -91.5 30.04 1.38 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.078 0.465 . . . . 0.0 111.782 179.873 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.432 HD11 ' O ' ' A' ' 10' ' ' CYS . 1.0 OUTLIER -158.34 151.7 23.11 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 171.493 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.716 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 9.4 tt0 -98.44 143.85 28.44 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.952 0.406 . . . . 0.0 111.078 -175.331 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -153.84 152.13 30.32 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.122 176.876 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.531 ' CB ' ' HG ' ' A' ' 61' ' ' LEU . 16.5 m-85 -111.5 106.61 15.54 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 172.729 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.4 t -105.97 126.84 61.42 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.406 -170.56 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.7 mt -95.81 131.14 42.43 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.478 -176.791 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 70.5 t60 -108.2 112.01 24.29 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.276 0.56 . . . . 0.0 110.99 -177.121 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.679 ' HG ' HG22 ' A' ' 26' ' ' VAL . 4.4 mp -89.22 164.83 14.8 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 172.88 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.55 0.45 12.54 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.043 0.449 . . . . 0.0 110.814 178.569 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -117.18 -28.47 6.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.122 179.432 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.5 ptm180 -165.81 175.54 8.64 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.885 -0.326 . . . . 0.0 111.467 -168.434 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.8 m -127.09 139.03 53.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 109.973 177.423 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 63.4 mt -125.87 136.76 59.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 -179.708 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 66.9 m -100.07 121.06 40.8 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.305 0.574 . . . . 0.0 110.472 -174.797 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.516 ' HB ' ' O ' ' A' ' 43' ' ' PHE . 5.4 mt -111.2 141.38 26.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.982 -177.328 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.452 ' HA ' HD13 ' A' ' 13' ' ' LEU . 50.2 t-80 -62.48 127.88 90.64 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.677 173.978 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -46.99 -58.83 1.5 Allowed 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 123.045 2.497 . . . . 0.0 113.318 -174.903 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -77.65 72.86 4.21 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.131 0.491 . . . . 0.0 110.077 176.669 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.403 ' HB2' ' O ' ' A' ' 55' ' ' HIS . 3.2 m-20 -131.35 137.47 30.61 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.118 177.343 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -61.18 -30.32 88.46 Favored 'Trans proline' 0 N--CA 1.463 -0.284 0 C-N-CA 122.58 2.187 . . . . 0.0 111.708 176.954 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.5 ' HB2' ' HA ' ' A' ' 17' ' ' PRO . 27.0 t -66.17 -32.59 74.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.846 -175.635 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.531 ' HG ' ' CB ' ' A' ' 43' ' ' PHE . 1.0 OUTLIER -80.35 -46.47 16.03 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.287 -176.873 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.3 p -64.22 -47.65 78.87 Favored 'General case' 0 C--O 1.248 0.978 0 CA-C-O 121.653 0.739 . . . . 0.0 110.674 179.919 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -61.07 -28.7 69.26 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.303 177.615 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.514 ' CZ3' ' HB3' ' A' ' 23' ' ' LEU . 23.2 t-105 -62.98 -38.74 92.36 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.676 -179.075 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -54.41 -42.35 70.36 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.143 0.497 . . . . 0.0 110.143 176.549 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.475 ' O ' ' HB3' ' A' ' 69' ' ' GLU . 47.3 mt-10 -75.36 -41.35 56.66 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 121.326 0.584 . . . . 0.0 111.183 177.211 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.47 ' HB2' ' HA ' ' A' ' 64' ' ' TRP . 9.5 m170 -63.69 -45.48 89.84 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.601 -177.279 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.502 ' HG2' ' O ' ' A' ' 64' ' ' TRP . 11.1 pt20 -68.07 -26.32 65.78 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.791 0.329 . . . . 0.0 110.269 -179.851 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.475 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 42.0 tt0 -58.01 -34.58 70.16 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.294 177.244 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.4 ptt180 -105.42 10.97 33.15 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 178.447 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 62.9 mttm -127.13 -159.18 0.92 Allowed 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 175.781 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.9 mp . . . . . 0 C--N 1.342 0.26 0 O-C-N 123.511 0.507 . . . . 0.0 111.533 -178.317 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 34.5 t . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 121.603 0.716 . . . . 0.0 109.679 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 83.0 m -76.24 118.95 19.49 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.831 -179.9 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -95.33 2.12 54.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.436 0.636 . . . . 0.0 110.573 173.403 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -128.13 161.76 28.49 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.736 174.022 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 95.4 mt -137.78 139.91 40.3 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.319 -176.623 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.439 ' CE2' ' HB2' ' A' ' 16' ' ' LYS . 61.4 t80 -66.68 -44.0 82.97 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.825 177.916 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.435 HH11 ' HD2' ' A' ' 15' ' ' ARG . 62.3 mtt85 73.37 -38.1 0.4 Allowed 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 115.617 -0.719 . . . . 0.0 112.918 172.647 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.439 ' HB2' ' CE2' ' A' ' 14' ' ' TYR . 65.4 mttm -73.9 154.09 88.96 Favored Pre-proline 0 C--N 1.323 -0.585 0 N-CA-C 110.389 -0.226 . . . . 0.0 110.389 176.176 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_exo -70.85 143.78 46.49 Favored 'Trans proline' 0 N--CA 1.459 -0.515 0 C-N-CA 122.53 2.154 . . . . 0.0 111.836 176.148 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.904 ' HB3' HD11 ' A' ' 22' ' ' LEU . 70.1 mt -89.34 136.98 32.72 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.497 179.305 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.678 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 20.2 m -66.55 142.42 57.51 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.72 178.985 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.551 ' OD1' ' HE3' ' A' ' 71' ' ' LYS . 20.5 t70 -60.47 -29.52 69.09 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.168 0.508 . . . . 0.0 111.063 -176.555 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -56.78 -46.75 81.31 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.557 178.181 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.904 HD11 ' HB3' ' A' ' 18' ' ' LEU . 4.2 pp -75.85 -29.36 58.54 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.818 176.958 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.511 HD12 ' HA ' ' A' ' 20' ' ' ASP . 69.3 mt -60.39 -45.43 93.57 Favored 'General case' 0 C--O 1.223 -0.34 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.624 -177.481 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -60.96 0.03 0.26 Allowed 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 -178.197 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.619 ' NZ ' ' HA ' ' A' ' 22' ' ' LEU . 35.9 mtmm -113.54 -3.52 13.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.59 0.233 . . . . 0.0 111.164 177.254 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.732 HG22 ' HG ' ' A' ' 47' ' ' LEU . 22.4 t -76.72 94.63 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.452 0.644 . . . . 0.0 109.38 -179.594 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.425 ' CD1' ' HB2' ' A' ' 48' ' ' ALA . 42.0 pt -76.66 -25.34 16.0 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.885 0 CA-C-N 115.235 -0.893 . . . . 0.0 112.303 -169.868 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -137.61 146.18 43.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.867 0.365 . . . . 0.0 111.56 -176.386 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.6 t -113.85 120.21 63.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 174.654 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -112.07 132.99 54.5 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.018 0.437 . . . . 0.0 111.006 -171.515 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 41.2 tp -97.67 105.65 17.83 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.123 0.487 . . . . 0.0 110.03 176.682 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.452 ' O ' ' HA ' ' A' ' 41' ' ' GLN . 39.0 tt0 -71.04 104.43 3.0 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.31 174.758 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -77.48 141.67 39.54 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.498 -179.195 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.477 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . . . -82.24 4.45 23.52 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.542 -179.253 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -139.8 -42.42 0.44 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.994 179.82 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -67.9 -21.36 73.27 Favored Glycine 0 C--N 1.332 0.331 0 C-N-CA 121.053 -0.594 . . . . 0.0 113.196 -177.34 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -141.95 -65.48 0.42 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.373 0.606 . . . . 0.0 110.164 -178.005 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 17.2 t -99.47 -171.03 1.99 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.485 -174.388 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 45.3 p-80 -106.0 -4.65 20.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.308 0.575 . . . . 0.0 109.577 172.816 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.4 tt -128.42 138.92 52.55 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.213 -0.903 . . . . 0.0 108.744 -179.669 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.477 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 29.0 tt0 -94.58 131.37 40.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.133 0.492 . . . . 0.0 111.23 -177.818 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.707 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -142.25 170.36 15.86 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.055 -177.791 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.402 ' O ' ' HB ' ' A' ' 54' ' ' ILE . 2.7 m-85 -121.7 103.49 8.92 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 173.663 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.464 HG13 ' O ' ' A' ' 52' ' ' ILE . 73.8 t -102.64 138.92 25.1 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 CA-C-O 121.195 0.521 . . . . 0.0 111.125 -171.704 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.526 HD12 HD12 ' A' ' 18' ' ' LEU . 72.4 mt -105.7 125.27 50.79 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.642 -177.299 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.409 ' HD2' ' HA ' ' A' ' 48' ' ' ALA . 0.6 OUTLIER -105.5 111.97 24.88 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.668 -175.911 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.815 ' HB2' ' HB2' ' A' ' 50' ' ' ARG . 6.1 mp -96.04 12.09 31.78 Favored 'General case' 0 CA--C 1.506 -0.725 0 CA-C-N 115.193 -0.912 . . . . 0.0 109.011 179.301 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.425 ' HB2' ' CD1' ' A' ' 27' ' ' ILE . . . 80.96 -65.32 0.15 Allowed 'General case' 0 C--N 1.305 -1.36 0 CA-C-N 112.614 -2.085 . . . . 0.0 109.973 172.116 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 18.9 mp0 -79.51 -22.09 44.43 Favored 'General case' 0 C--N 1.311 -1.105 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 173.607 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.815 ' HB2' ' HB2' ' A' ' 47' ' ' LEU . 72.9 mtt180 -120.1 154.85 34.1 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 115.604 -0.726 . . . . 0.0 111.659 178.599 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.1 m -142.23 124.1 15.22 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 173.613 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.464 ' O ' HG13 ' A' ' 44' ' ' VAL . 67.8 mt -123.14 140.37 47.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.252 -175.954 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.415 ' HA ' HG22 ' A' ' 44' ' ' VAL . 63.1 m -101.35 121.51 42.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.543 0.687 . . . . 0.0 111.184 -173.185 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.402 ' HB ' ' O ' ' A' ' 43' ' ' PHE . 49.0 mt -130.7 148.44 33.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.04 -0.982 . . . . 0.0 109.404 -178.755 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 5.3 p80 -99.7 155.89 35.98 Favored Pre-proline 0 C--N 1.328 -0.336 0 O-C-N 121.781 -0.574 . . . . 0.0 110.161 178.044 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.707 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 62.2 Cg_exo -50.57 147.24 17.85 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 123.202 2.601 . . . . 0.0 112.638 177.258 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 67.4 mt-30 70.95 29.54 2.99 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.28 175.843 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -97.47 134.78 22.18 Favored Pre-proline 0 C--N 1.326 -0.415 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 171.696 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.42 ' O ' ' HG3' ' A' ' 63' ' ' GLN . 73.1 Cg_exo -49.26 -36.95 38.76 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 123.061 2.508 . . . . 0.0 113.148 -177.665 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.3 t -67.84 -37.87 82.45 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.726 -0.216 . . . . 0.0 111.029 -176.227 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.28 -47.04 59.34 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 -176.902 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 25.1 m -61.29 -48.14 82.75 Favored 'General case' 0 C--O 1.242 0.68 0 CA-C-O 121.043 0.449 . . . . 0.0 111.222 178.997 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.42 ' HG3' ' O ' ' A' ' 59' ' ' PRO . 46.2 mt-30 -61.57 -33.16 73.4 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.375 178.833 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.445 ' CZ2' ' HB ' ' A' ' 26' ' ' VAL . 14.1 t-105 -65.67 -35.98 82.34 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.696 179.343 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -53.44 -46.22 69.75 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.902 0.382 . . . . 0.0 110.746 176.007 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.463 ' O ' ' HB3' ' A' ' 69' ' ' GLU . 46.0 mt-10 -81.05 -36.94 29.87 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-O 121.3 0.571 . . . . 0.0 111.106 -178.269 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 8.6 m170 -65.88 -44.93 83.89 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.806 -179.307 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -63.33 -29.78 71.03 Favored 'General case' 0 CA--C 1.521 -0.167 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 178.948 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.463 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 12.5 tp10 -55.75 -32.24 63.24 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.575 178.872 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 21.6 ptt180 -111.95 10.66 20.59 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 112.492 0.552 . . . . 0.0 112.492 -178.744 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.551 ' HE3' ' OD1' ' A' ' 20' ' ' ASP . 59.3 mttm -124.59 -149.08 0.41 Allowed 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 -177.196 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.494 HD22 ' N ' ' A' ' 72' ' ' LEU . 2.5 mm? . . . . . 0 C--N 1.35 0.618 0 C-N-CA 123.516 0.726 . . . . 0.0 111.802 -171.668 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 22.2 t . . . . . 0 N--CA 1.448 -0.548 0 CA-C-O 121.804 0.811 . . . . 0.0 108.982 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -83.52 123.29 29.59 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 114.659 -1.155 . . . . 0.0 109.684 -178.571 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.1 p -76.56 -15.16 59.93 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.066 -0.515 . . . . 0.0 112.113 -175.636 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.04 165.32 27.69 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.926 0.393 . . . . 0.0 110.923 -178.083 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.508 HD13 ' HB3' ' A' ' 55' ' ' HIS . 87.3 mt -129.79 144.96 51.56 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.523 -178.095 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.448 ' O ' ' HB3' ' A' ' 15' ' ' ARG . 19.4 t80 -71.79 -37.38 70.42 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.894 -0.322 . . . . 0.0 110.732 -176.84 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.448 ' HB3' ' O ' ' A' ' 14' ' ' TYR . 43.6 ttt180 74.82 -42.38 0.49 Allowed 'General case' 0 N--CA 1.468 0.47 0 O-C-N 123.729 0.643 . . . . 0.0 112.209 173.193 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -69.74 152.46 96.12 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 122.416 -0.178 . . . . 0.0 110.543 176.302 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -68.01 144.14 62.84 Favored 'Trans proline' 0 N--CA 1.461 -0.427 0 C-N-CA 122.084 1.856 . . . . 0.0 110.658 170.385 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.889 ' HB3' HD11 ' A' ' 22' ' ' LEU . 60.0 mt -87.55 142.09 28.11 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.897 0.379 . . . . 0.0 111.479 -174.559 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.532 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 49.6 m -66.1 145.01 56.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.393 -179.372 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -62.56 -34.74 77.56 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.822 -175.773 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.417 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 28.9 mtpp -62.6 -45.66 91.87 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.969 -177.269 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.889 HD11 ' HB3' ' A' ' 18' ' ' LEU . 4.7 pp -74.03 -27.78 61.11 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 121.003 -0.279 . . . . 0.0 110.767 177.88 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 19' ' ' SER . 66.1 mt -62.97 -45.49 92.17 Favored 'General case' 0 C--O 1.224 -0.248 0 CA-C-O 120.472 0.177 . . . . 0.0 111.292 179.938 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.6 ' HB3' ' HD3' ' A' ' 71' ' ' LYS . 16.4 ptp180 -67.49 4.96 0.87 Allowed 'General case' 0 CA--C 1.536 0.435 0 CA-C-O 120.804 0.335 . . . . 0.0 111.726 179.614 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -118.92 11.68 12.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.032 176.282 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 37.8 t -79.04 144.19 11.4 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 CA-C-N 116.323 -0.399 . . . . 0.0 109.986 177.222 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.418 HG12 ' O ' ' A' ' 46' ' ' HIS . 25.3 pt -110.48 -35.2 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 C-N-CA 120.508 -0.477 . . . . 0.0 112.277 -177.023 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 18.3 mm-40 -145.86 157.64 43.9 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.952 0.406 . . . . 0.0 111.585 -177.194 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 45.3 t -120.35 121.59 66.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 173.501 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -114.97 157.12 23.85 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.631 0.253 . . . . 0.0 111.289 -171.353 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.505 HD13 ' CE2' ' A' ' 43' ' ' PHE . 48.6 tp -119.56 116.19 25.54 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 121.28 0.562 . . . . 0.0 111.038 179.381 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -94.54 116.39 28.72 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.028 -0.987 . . . . 0.0 109.223 173.094 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -79.87 154.62 28.25 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.878 0.371 . . . . 0.0 111.593 -174.516 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.738 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . . . -82.89 12.37 4.96 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.885 -0.598 . . . . 0.0 112.053 -174.556 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -170.77 12.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.105 0.478 . . . . 0.0 110.272 179.218 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -93.16 -90.95 1.55 Allowed Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.662 -0.78 . . . . 0.0 111.603 -179.07 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -96.97 7.19 47.19 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.134 0.493 . . . . 0.0 110.415 179.68 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.9 t -164.01 177.41 8.51 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.838 179.325 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 70.0 t60 -88.27 -41.61 12.8 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -177.211 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.646 HD13 ' H ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -102.19 154.25 19.19 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.467 -0.493 . . . . 0.0 110.881 -179.169 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.738 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 36.7 tt0 -93.69 130.28 39.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.15 -177.444 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.481 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -147.1 127.9 14.36 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.14 0.495 . . . . 0.0 111.534 -177.206 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.55 ' HB3' ' HG ' ' A' ' 61' ' ' LEU . 0.7 OUTLIER -88.96 109.82 20.58 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 170.197 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.0 t -97.02 126.24 49.83 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.205 -170.206 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.841 HD12 HD12 ' A' ' 18' ' ' LEU . 29.6 mt -92.71 108.33 19.9 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.859 0.838 . . . . 0.0 109.419 175.911 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.418 ' O ' HG12 ' A' ' 27' ' ' ILE . 3.7 t60 -95.91 111.76 23.67 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.441 -170.36 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.416 ' HB2' ' O ' ' A' ' 50' ' ' ARG . 6.2 mp -94.61 157.43 15.98 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 172.303 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.55 -12.71 55.42 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.834 0.35 . . . . 0.0 111.586 -177.992 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -106.46 -37.24 6.55 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.277 -175.168 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.416 ' O ' ' HB2' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -160.63 154.37 22.48 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.342 177.608 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 6.9 m -98.89 134.99 40.97 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.479 178.222 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.596 HG21 HD21 ' A' ' 18' ' ' LEU . 53.9 mt -112.98 128.96 69.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 177.532 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 56.9 m -102.25 126.21 49.18 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.698 0.761 . . . . 0.0 111.349 -172.415 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -124.28 146.75 29.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 114.919 -1.037 . . . . 0.0 109.839 -177.73 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.508 ' HB3' HD13 ' A' ' 13' ' ' LEU . 3.5 p80 -83.81 138.88 40.34 Favored Pre-proline 0 C--N 1.327 -0.412 0 C-N-CA 119.795 -0.762 . . . . 0.0 109.301 173.204 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.481 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 70.9 Cg_exo -50.54 -24.21 12.14 Favored 'Trans proline' 0 N--CA 1.48 0.716 0 C-N-CA 123.678 2.918 . . . . 0.0 114.237 -174.082 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.45 ' HB2' ' CE1' ' A' ' 55' ' ' HIS . 23.2 mp0 -80.8 7.77 9.67 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.257 -178.028 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.46 ' HA ' ' HD2' ' A' ' 59' ' ' PRO . 47.5 t-20 -90.62 121.34 68.4 Favored Pre-proline 0 C--N 1.329 -0.288 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 176.452 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.46 ' HD2' ' HA ' ' A' ' 58' ' ' ASN . 3.5 Cg_endo -48.47 -35.05 27.56 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 123.853 3.035 . . . . 0.0 113.156 178.763 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.2 m -60.0 -31.67 70.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.229 -0.441 . . . . 0.0 112.054 -173.768 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.55 ' HG ' ' HB3' ' A' ' 43' ' ' PHE . 0.8 OUTLIER -69.28 -44.16 72.39 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-O 120.663 0.268 . . . . 0.0 110.402 -178.165 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.448 ' HA ' ' CD2' ' A' ' 65' ' ' PHE . 41.2 t -70.7 -49.36 47.89 Favored 'General case' 0 C--O 1.24 0.6 0 CA-C-O 121.352 0.596 . . . . 0.0 110.869 -178.001 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -60.45 -27.3 67.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.246 177.564 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.495 ' CE2' ' HB3' ' A' ' 68' ' ' GLN . 22.8 t-105 -65.44 -36.65 84.56 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.868 176.282 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.448 ' CD2' ' HA ' ' A' ' 62' ' ' SER . 26.3 m-85 -53.37 -46.91 69.8 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.078 0.466 . . . . 0.0 109.97 176.204 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.495 ' O ' ' HB3' ' A' ' 69' ' ' GLU . 41.5 mt-10 -65.81 -45.98 80.31 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 121.897 0.856 . . . . 0.0 110.935 178.385 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.587 ' O ' ' HG3' ' A' ' 71' ' ' LYS . 35.9 m80 -76.69 -24.71 53.17 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.732 -0.667 . . . . 0.0 112.418 -170.881 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.495 ' HB3' ' CE2' ' A' ' 64' ' ' TRP . 4.9 pt20 -79.63 -18.61 51.13 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.293 -0.563 . . . . 0.0 110.035 175.527 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.495 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 12.3 tp10 -65.38 -27.85 68.86 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 170.876 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.3 ptp180 -108.94 1.69 20.89 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 112.273 0.472 . . . . 0.0 112.273 179.176 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.6 ' HD3' ' HB3' ' A' ' 24' ' ' ARG . 71.6 mttt -119.3 -170.5 1.94 Allowed 'General case' 0 CA--C 1.515 -0.38 0 O-C-N 122.063 -0.398 . . . . 0.0 110.223 174.077 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.3 mt . . . . . 0 N--CA 1.468 0.456 0 O-C-N 124.321 1.013 . . . . 0.0 111.927 177.578 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.686 ' HA ' ' HB2' ' A' ' 38' ' ' CYS . 48.6 t . . . . . 0 N--CA 1.447 -0.62 0 N-CA-C 107.626 -1.249 . . . . 0.0 107.626 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.637 ' O ' HD21 ' A' ' 40' ' ' LEU . 59.8 m -69.37 118.37 12.17 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.84 -1.073 . . . . 0.0 112.023 -171.975 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 25.4 p -98.0 11.62 36.93 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.581 170.818 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -158.86 160.92 36.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.392 -179.073 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.407 HD13 ' HB2' ' A' ' 55' ' ' HIS . 77.1 mt -136.59 137.27 39.98 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 177.995 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.442 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 48.0 t80 -65.52 -43.79 88.95 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 -174.672 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.447 ' HA ' ' OD1' ' A' ' 58' ' ' ASN . 73.8 mtt180 75.69 -26.9 0.19 Allowed 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 113.593 0.96 . . . . 0.0 113.593 174.203 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -101.29 165.59 13.85 Favored Pre-proline 0 C--N 1.321 -0.643 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -172.15 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.509 ' HA ' ' HB2' ' A' ' 60' ' ' SER . 13.0 Cg_exo -72.18 120.88 7.08 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 123.151 2.567 . . . . 0.0 111.703 172.653 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.651 HD21 HG21 ' A' ' 52' ' ' ILE . 6.0 mp -75.49 156.75 34.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.7 0.286 . . . . 0.0 110.245 179.554 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.658 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 20.8 m -64.68 129.86 41.41 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.825 179.742 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.547 ' OD1' ' HE3' ' A' ' 71' ' ' LYS . 21.0 t70 -61.27 -28.34 69.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.181 0.515 . . . . 0.0 110.748 -178.07 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.438 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 93.0 mttt -57.5 -47.53 81.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.866 177.615 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.658 ' HG ' ' O ' ' A' ' 19' ' ' SER . 4.5 pp -75.83 -27.5 57.9 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.994 -0.282 . . . . 0.0 110.583 177.069 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.669 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 61.5 mt -60.78 -47.29 86.98 Favored 'General case' 0 C--O 1.226 -0.176 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.202 -179.156 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.438 ' HG2' ' O ' ' A' ' 21' ' ' LYS . 37.5 ptt180 -62.9 -1.9 1.04 Allowed 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -179.544 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.428 ' HE2' ' HA ' ' A' ' 22' ' ' LEU . 48.3 mtmt -110.18 0.35 18.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.694 0.283 . . . . 0.0 111.034 178.537 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.546 ' O ' ' HG ' ' A' ' 72' ' ' LEU . 48.7 t -75.79 107.21 6.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 177.788 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 18.9 pt -67.55 -36.42 76.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.996 -174.471 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 39.4 mm-40 -155.63 158.64 38.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.124 0.488 . . . . 0.0 111.645 -177.021 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 30.0 m -106.96 151.25 8.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.463 172.796 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.56 ' CG ' ' HB ' ' A' ' 44' ' ' VAL . 15.1 pt-20 -134.43 135.54 42.62 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.278 0.561 . . . . 0.0 110.647 179.728 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 38.1 tp -96.17 111.03 23.2 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.952 177.66 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.78 106.88 15.82 Favored 'General case' 0 N--CA 1.444 -0.749 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 176.962 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.428 ' HB2' ' HA3' ' A' ' 36' ' ' GLY . 31.8 mt-10 -64.89 154.01 38.6 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.868 -175.166 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.69 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . . . -76.71 22.29 0.18 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.848 0.356 . . . . 0.0 111.815 -173.878 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.416 ' H ' ' C ' ' A' ' 33' ' ' GLU . 4.9 p-10 179.69 -2.09 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.766 -177.095 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.428 ' HA3' ' HB2' ' A' ' 33' ' ' GLU . . . -80.69 -3.68 90.28 Favored Glycine 0 C--N 1.331 0.265 0 C-N-CA 121.11 -0.567 . . . . 0.0 112.838 -175.84 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -171.3 -43.4 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.394 0.616 . . . . 0.0 109.439 178.32 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.686 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 11.2 t -127.44 160.38 31.62 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.33 -0.85 . . . . 0.0 108.815 177.682 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -74.59 4.96 5.3 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 113.247 0.832 . . . . 0.0 113.247 -173.566 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.637 HD21 ' O ' ' A' ' 10' ' ' CYS . 3.2 pp -131.33 153.76 49.27 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 120.737 -0.385 . . . . 0.0 111.093 -179.507 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.69 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 62.9 tt0 -90.49 134.34 34.43 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.848 178.947 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.455 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -146.33 151.13 37.01 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.091 0.472 . . . . 0.0 111.308 -178.76 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.584 ' O ' ' HB ' ' A' ' 54' ' ' ILE . 3.0 m-85 -107.27 100.93 10.35 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 172.68 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.56 ' HB ' ' CG ' ' A' ' 30' ' ' GLU . 39.3 t -95.69 132.01 40.96 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.998 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.388 -172.833 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.422 HD21 ' CD2' ' A' ' 61' ' ' LEU . 51.4 mt -93.02 117.07 29.66 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.2 0.524 . . . . 0.0 109.663 -179.944 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 14.0 t60 -102.41 108.14 19.37 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.486 -167.416 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.455 ' HG ' ' HA ' ' A' ' 26' ' ' VAL . 6.1 mp -98.35 169.98 9.18 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 173.131 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -78.78 0.7 25.87 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.007 0.432 . . . . 0.0 111.377 -171.767 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -131.38 -8.35 3.73 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.165 -177.793 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 12.6 ptp180 -171.44 166.59 6.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.792 0.329 . . . . 0.0 111.49 -169.672 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.9 m -138.6 124.23 19.66 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.776 178.371 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.651 HG21 HD21 ' A' ' 18' ' ' LEU . 4.5 mp -102.08 136.96 31.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 178.329 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 49.5 t -101.09 136.19 41.33 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.665 0.745 . . . . 0.0 111.072 -173.445 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.584 ' HB ' ' O ' ' A' ' 43' ' ' PHE . 1.2 mt -134.03 143.78 37.37 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.833 0 CA-C-N 114.938 -1.028 . . . . 0.0 111.346 -171.724 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.672 ' O ' ' HB2' ' A' ' 58' ' ' ASN . 26.6 t-80 -69.61 135.2 88.28 Favored Pre-proline 0 C--O 1.217 -0.617 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 173.573 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 82.4 Cg_exo -45.75 -46.35 15.38 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.172 1.915 . . . . 0.0 112.224 178.619 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -86.94 83.05 7.59 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 168.307 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.672 ' HB2' ' O ' ' A' ' 55' ' ' HIS . 6.7 t30 -132.36 133.58 23.88 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.225 179.351 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 58' ' ' ASN . 50.9 Cg_exo -55.2 -28.18 60.29 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 123.249 2.633 . . . . 0.0 113.05 -178.792 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.509 ' HB2' ' HA ' ' A' ' 17' ' ' PRO . 4.2 t -77.59 -33.9 53.71 Favored 'General case' 0 C--O 1.222 -0.384 0 C-N-CA 120.63 -0.428 . . . . 0.0 111.149 179.775 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.568 HD23 HG21 ' A' ' 54' ' ' ILE . 0.3 OUTLIER -77.21 -48.52 17.35 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.436 0.16 . . . . 0.0 111.285 -168.066 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.0 t -59.81 -50.04 75.34 Favored 'General case' 0 C--O 1.242 0.675 0 CA-C-O 121.318 0.58 . . . . 0.0 110.02 -179.254 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -61.19 -31.49 71.25 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.423 175.624 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.669 ' CZ3' ' HB3' ' A' ' 23' ' ' LEU . 7.3 t-105 -66.16 -36.38 82.95 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 120.871 -0.331 . . . . 0.0 110.565 -178.119 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -58.47 -39.44 79.98 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.694 175.745 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.505 ' O ' ' HB3' ' A' ' 69' ' ' GLU . 21.4 mm-40 -75.56 -39.26 58.46 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.251 0.548 . . . . 0.0 111.231 177.27 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.42 ' HB2' ' HE3' ' A' ' 64' ' ' TRP . 10.0 m170 -68.28 -41.6 80.77 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.232 -179.609 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.503 ' HB2' HD21 ' A' ' 72' ' ' LEU . 13.5 pt20 -68.63 -25.02 64.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.962 0.411 . . . . 0.0 110.163 179.027 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.505 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 21.7 tp10 -59.16 -32.65 70.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.595 175.039 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.6 ptp180 -113.54 19.76 16.58 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.675 -177.849 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.547 ' HE3' ' OD1' ' A' ' 20' ' ' ASP . 42.9 mttm -141.61 -169.35 2.87 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 119.515 -0.278 . . . . 0.0 110.429 177.959 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.605 HD11 ' CH2' ' A' ' 64' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.484 1.246 0 N-CA-C 114.991 1.478 . . . . 0.0 114.991 -173.483 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 80.5 m . . . . . 0 N--CA 1.451 -0.406 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 62.0 m -65.17 120.17 12.21 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.625 -0.716 . . . . 0.0 112.602 -176.61 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.2 p -108.35 6.6 26.57 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.922 168.117 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.8 152.95 40.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.041 -0.981 . . . . 0.0 110.288 -179.501 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 60.3 mt -132.45 132.85 43.16 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 179.779 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -63.48 -40.8 98.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.383 -174.158 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 11.1 mmm180 70.95 -53.16 0.68 Allowed 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.594 0.758 . . . . 0.0 112.438 178.754 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -62.23 139.04 96.22 Favored Pre-proline 0 C--N 1.327 -0.38 0 O-C-N 123.216 0.322 . . . . 0.0 111.391 -178.76 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -61.31 126.58 19.67 Favored 'Trans proline' 0 C--O 1.237 0.435 0 C-N-CA 122.98 2.453 . . . . 0.0 112.012 177.27 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.632 HD12 HD12 ' A' ' 45' ' ' LEU . 62.0 mt -73.82 153.02 40.11 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.818 -179.736 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.622 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 17.9 m -82.06 140.47 33.86 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.834 -179.691 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.558 ' HA ' HD12 ' A' ' 23' ' ' LEU . 9.0 t0 -63.71 -29.07 70.34 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.597 -177.545 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.595 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 65.2 mttm -61.09 -45.43 94.76 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.238 179.707 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.622 ' HG ' ' O ' ' A' ' 19' ' ' SER . 4.6 pp -73.84 -25.17 59.94 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.175 177.144 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.558 HD12 ' HA ' ' A' ' 20' ' ' ASP . 67.7 mt -61.0 -36.6 79.9 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.511 179.667 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.733 ' HB3' ' HD3' ' A' ' 71' ' ' LYS . 12.6 ptm180 -65.03 -4.56 4.82 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-O 121.293 0.568 . . . . 0.0 111.459 177.705 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.525 ' HD3' ' HA ' ' A' ' 22' ' ' LEU . 51.0 mtpt -108.69 1.22 21.03 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.527 -176.645 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.583 HG22 ' HG ' ' A' ' 47' ' ' LEU . 52.6 t -79.57 143.84 11.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 174.514 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.552 HD11 ' HD2' ' A' ' 46' ' ' HIS . 5.0 pt -104.47 -37.63 4.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 C-N-CA 120.155 -0.618 . . . . 0.0 111.694 -178.588 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -154.88 157.84 38.43 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-O 120.691 0.282 . . . . 0.0 111.027 178.837 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.495 HG13 HD23 ' A' ' 45' ' ' LEU . 20.5 t -100.7 126.59 54.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 174.55 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.471 ' HG3' ' HB ' ' A' ' 44' ' ' VAL . 15.1 pt-20 -117.5 126.09 52.0 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.604 0.716 . . . . 0.0 111.263 -176.524 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 41.5 tp -90.05 117.65 29.0 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.848 179.404 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.448 ' HB3' ' HB3' ' A' ' 42' ' ' ALA . 50.7 tt0 -78.64 107.27 11.2 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 173.229 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -64.66 148.48 50.89 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.95 179.264 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.715 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . . . -80.72 25.21 0.44 Allowed 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -170.921 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 31.5 t70 178.32 -37.84 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.737 -0.211 . . . . 0.0 110.756 -175.508 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -48.98 -43.87 31.68 Favored Glycine 0 C--N 1.336 0.539 0 O-C-N 123.832 0.708 . . . . 0.0 113.558 -176.901 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -108.42 -63.11 1.37 Allowed 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 175.543 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 66.3 m -135.65 146.53 47.92 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.42 -0.809 . . . . 0.0 108.972 171.608 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.404 ' HA ' ' O ' ' A' ' 34' ' ' ALA . 1.9 p-80 -72.72 82.73 1.15 Allowed 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -173.876 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.2 tt -172.79 123.77 0.44 Allowed 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 174.19 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.715 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 24.6 tt0 -86.16 116.76 24.56 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.906 0.384 . . . . 0.0 110.663 -177.813 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.55 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -137.91 155.32 49.04 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.032 -178.097 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.632 ' HB3' ' HG ' ' A' ' 61' ' ' LEU . 0.5 OUTLIER -116.26 107.42 14.83 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 176.003 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.471 ' HB ' ' HG3' ' A' ' 30' ' ' GLU . 60.6 t -110.23 139.0 35.54 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.142 -170.523 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.632 HD12 HD12 ' A' ' 18' ' ' LEU . 75.3 mt -99.79 114.75 28.11 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.966 179.325 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.552 ' HD2' HD11 ' A' ' 27' ' ' ILE . 5.9 t60 -88.41 102.62 15.06 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.146 -176.168 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.583 ' HG ' HG22 ' A' ' 26' ' ' VAL . 6.1 mp -89.83 164.09 14.77 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 172.61 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.37 -13.55 61.5 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.232 0.539 . . . . 0.0 110.858 -175.042 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.6 mp0 -101.48 -36.18 8.91 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.081 -177.941 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.561 ' O ' ' HB2' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -174.9 161.96 3.09 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.58 179.072 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.0 m -99.75 140.47 33.9 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 120.967 0.413 . . . . 0.0 110.767 177.361 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.475 HG21 HD21 ' A' ' 18' ' ' LEU . 61.5 mt -105.97 135.57 43.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 176.457 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 47.5 t -101.12 124.91 47.57 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.366 0.603 . . . . 0.0 111.03 -172.059 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.404 ' HB ' HD23 ' A' ' 61' ' ' LEU . 31.2 mt -125.88 145.84 32.65 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.574 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.789 -176.346 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 45.3 t-80 -68.46 131.12 91.77 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.085 174.613 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.55 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 77.6 Cg_exo -52.12 140.49 50.48 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.907 2.405 . . . . 0.0 112.017 177.103 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 69.5 45.65 0.8 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.61 0.719 . . . . 0.0 110.575 -178.286 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -107.88 140.09 21.28 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 114.948 -1.024 . . . . 0.0 109.039 173.474 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -42.87 -47.36 8.2 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 123.453 2.769 . . . . 0.0 113.566 179.847 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 49.2 m -70.4 -34.82 73.0 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 111.804 0.298 . . . . 0.0 111.804 -176.208 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.632 ' HG ' ' HB3' ' A' ' 43' ' ' PHE . 0.2 OUTLIER -70.84 -47.68 58.03 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 -178.377 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 39.8 t -65.9 -47.24 75.44 Favored 'General case' 0 C--O 1.241 0.651 0 CA-C-O 121.004 0.43 . . . . 0.0 110.72 179.785 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -60.62 -28.97 68.94 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.771 -179.288 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.536 ' CZ3' ' HB3' ' A' ' 23' ' ' LEU . 27.6 t-105 -68.33 -38.41 81.49 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.138 179.932 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -53.2 -40.23 64.3 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.425 -0.51 . . . . 0.0 110.038 175.634 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -79.43 -41.92 26.55 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.043 -179.337 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 23.7 m170 -65.68 -39.76 91.62 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.821 179.72 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.497 ' HB2' ' CE2' ' A' ' 64' ' ' TRP . 17.0 tt0 -62.86 -34.52 77.54 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.524 177.698 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -61.45 -28.08 69.02 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.67 178.194 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 14.4 ptt180 -113.99 24.35 12.12 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.726 179.063 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.733 ' HD3' ' HB3' ' A' ' 24' ' ' ARG . 24.6 ttmt -144.17 -150.1 0.3 Allowed 'General case' 0 C--O 1.236 0.371 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.362 -177.987 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.504 HD21 ' CZ2' ' A' ' 64' ' ' TRP . 8.5 mt . . . . . 0 C--N 1.345 0.383 0 C-N-CA 123.278 0.631 . . . . 0.0 111.744 -178.103 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.3 t . . . . . 0 C--O 1.233 0.212 0 N-CA-C 106.706 -1.59 . . . . 0.0 106.706 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 43.5 t -53.77 137.1 38.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 113.336 -1.756 . . . . 0.0 112.495 -172.647 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.8 t -130.87 15.64 5.26 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.808 178.113 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.61 95.21 2.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.729 0.776 . . . . 0.0 111.005 176.753 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.555 HD23 ' SG ' ' A' ' 53' ' ' CYS . 50.6 mt -83.05 135.51 34.82 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.373 -0.83 . . . . 0.0 111.019 -176.448 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -62.8 -46.7 86.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.972 -176.512 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 75.08 -44.28 0.53 Allowed 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.667 0.787 . . . . 0.0 112.485 177.763 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -63.65 129.92 94.04 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 120.591 0.234 . . . . 0.0 111.142 -178.527 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -59.89 116.98 3.68 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.95 2.434 . . . . 0.0 111.958 177.23 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.808 ' HB3' HD11 ' A' ' 22' ' ' LEU . 82.0 mt -71.13 138.53 49.74 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.074 -177.101 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.618 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 5.1 m -74.08 140.62 45.44 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.857 -178.374 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.489 ' HA ' HD12 ' A' ' 23' ' ' LEU . 9.9 t70 -55.53 -34.58 64.8 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 121.057 0.456 . . . . 0.0 111.131 -178.643 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.438 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 66.5 mttm -56.91 -46.68 81.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.337 179.281 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.808 HD11 ' HB3' ' A' ' 18' ' ' LEU . 4.3 pp -76.37 -26.85 56.08 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.794 176.605 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.519 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 76.6 mt -65.2 -36.75 85.17 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.725 -178.045 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.441 ' HB3' ' HD3' ' A' ' 71' ' ' LYS . 15.2 ptm180 -67.54 4.79 0.94 Allowed 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 121.217 0.532 . . . . 0.0 111.366 178.298 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.602 ' HD3' ' HA ' ' A' ' 22' ' ' LEU . 24.1 mtpp -109.01 0.18 19.85 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.057 178.91 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.884 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 25.1 t -84.74 150.55 3.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 177.625 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 18.0 pt -124.49 -24.1 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -178.54 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 22.7 mm-40 -152.34 154.09 34.95 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 120.753 0.311 . . . . 0.0 111.462 -177.935 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.486 HG13 HE22 ' A' ' 68' ' ' GLN . 13.7 m -98.68 126.07 51.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.298 0.57 . . . . 0.0 109.863 169.581 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.949 ' HB2' ' HB ' ' A' ' 44' ' ' VAL . 3.2 mm-40 -95.7 110.8 22.88 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 -179.811 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 32.1 tp -90.1 105.36 17.76 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 120.136 -0.626 . . . . 0.0 110.81 -179.823 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.435 ' HB3' ' HB3' ' A' ' 42' ' ' ALA . 46.5 tt0 -82.14 104.27 12.36 Favored 'General case' 0 N--CA 1.442 -0.859 0 CA-C-N 115.232 -0.894 . . . . 0.0 108.634 172.522 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -73.52 154.78 39.73 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.175 -176.757 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.655 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . . . -83.1 1.98 37.57 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.978 -179.294 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -156.29 -28.11 0.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.589 179.728 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -63.81 -13.57 52.37 Favored Glycine 0 CA--C 1.524 0.602 0 CA-C-N 116.255 -0.43 . . . . 0.0 114.006 -176.749 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -159.33 -62.33 0.07 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.366 0.603 . . . . 0.0 109.6 177.137 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 52.7 t -99.44 167.26 10.73 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.378 -0.828 . . . . 0.0 108.789 176.449 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.2 p-80 -96.19 8.94 42.54 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.152 0.501 . . . . 0.0 111.103 178.543 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.3 tt -125.94 134.7 51.45 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 178.474 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.655 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 29.8 tt0 -90.09 135.01 33.92 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 110.264 -0.273 . . . . 0.0 110.264 -177.243 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.549 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -150.65 157.64 43.22 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.953 0.406 . . . . 0.0 111.135 179.202 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.624 ' HB3' ' HG ' ' A' ' 61' ' ' LEU . 7.0 m-85 -118.34 102.44 8.95 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.372 0.606 . . . . 0.0 109.602 175.42 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.949 ' HB ' ' HB2' ' A' ' 30' ' ' GLU . 68.7 t -94.91 140.63 16.41 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.99 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.983 -176.316 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.623 HD12 HD12 ' A' ' 18' ' ' LEU . 23.0 mt -103.1 117.38 34.42 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.138 0.494 . . . . 0.0 110.78 178.603 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.439 ' HB2' ' CD ' ' A' ' 30' ' ' GLU . 3.4 t-160 -93.48 95.56 9.34 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.068 -176.871 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.884 ' HA ' ' HA ' ' A' ' 26' ' ' VAL . 6.0 mp -80.64 157.83 25.85 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 174.042 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.54 17.33 0.11 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.965 0.412 . . . . 0.0 111.47 -178.234 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.464 ' H ' ' C ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -138.54 -39.4 0.52 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.945 -176.872 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.531 ' O ' ' HB2' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -164.31 160.95 21.52 Favored 'General case' 0 C--O 1.225 -0.205 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.382 178.727 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.7 m -112.61 135.76 52.97 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.784 0.326 . . . . 0.0 111.048 -177.382 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 48.4 mt -110.36 146.38 15.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.037 -178.958 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.555 ' SG ' HD23 ' A' ' 13' ' ' LEU . 45.6 t -102.22 124.75 48.36 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.94 0.4 . . . . 0.0 110.758 -176.687 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.502 HG21 HD23 ' A' ' 61' ' ' LEU . 0.3 OUTLIER -125.1 147.22 29.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.123 0.487 . . . . 0.0 111.181 -177.08 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.402 ' HB2' HD13 ' A' ' 13' ' ' LEU . 67.2 t60 -68.26 133.0 91.46 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.642 176.004 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.549 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 86.3 Cg_exo -48.99 -46.76 23.99 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.651 2.234 . . . . 0.0 112.661 179.786 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 23.6 mp0 -83.32 78.32 9.65 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 174.118 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -143.32 132.8 11.73 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.108 179.242 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -59.97 -36.75 88.9 Favored 'Trans proline' 0 CA--C 1.528 0.196 0 C-N-CA 123.035 2.49 . . . . 0.0 112.911 -177.098 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 26.3 m -68.33 -34.13 75.55 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 111.751 0.278 . . . . 0.0 111.751 -175.245 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.624 ' HG ' ' HB3' ' A' ' 43' ' ' PHE . 0.2 OUTLIER -74.51 -37.42 63.11 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 177.768 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.491 ' O ' ' HB2' ' A' ' 65' ' ' PHE . 34.8 t -68.67 -48.3 64.3 Favored 'General case' 0 C--O 1.248 0.976 0 CA-C-O 121.035 0.445 . . . . 0.0 111.116 -178.376 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -60.23 -29.05 68.5 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 175.189 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.519 ' CZ3' ' HB3' ' A' ' 23' ' ' LEU . 23.3 t-105 -66.99 -32.26 73.38 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.905 179.452 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.491 ' HB2' ' O ' ' A' ' 62' ' ' SER . 8.4 m-85 -52.2 -55.69 19.5 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 175.543 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -75.92 -34.8 59.92 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.837 -176.789 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.529 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 64.7 m170 -76.16 -33.0 59.36 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.613 -176.358 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.512 ' HB2' ' CE2' ' A' ' 64' ' ' TRP . 10.2 tt0 -69.02 -31.9 71.04 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.701 0.286 . . . . 0.0 110.537 176.836 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -59.63 -32.69 70.66 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.054 0.454 . . . . 0.0 110.291 173.655 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -110.93 16.12 21.41 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 116.05 -0.523 . . . . 0.0 112.072 -177.067 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.529 ' HB2' ' O ' ' A' ' 67' ' ' HIS . 10.7 ttmm -131.39 -156.88 0.78 Allowed 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 -179.966 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' ' 26' ' ' VAL . 6.4 mp . . . . . 0 N--CA 1.463 0.215 0 CA-C-O 121.157 0.503 . . . . 0.0 110.959 -176.956 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.434 ' HA ' ' OE1' ' A' ' 32' ' ' GLN . 46.7 t . . . . . 0 N--CA 1.45 -0.445 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 . . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 71.4 m -113.29 117.81 32.87 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.337 -177.564 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 21.2 p -94.94 -25.1 16.68 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.372 0.606 . . . . 0.0 109.942 175.117 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.49 159.05 15.78 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.119 172.839 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 91.1 mt -134.04 152.37 51.81 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.646 -0.252 . . . . 0.0 110.658 -177.652 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -69.53 -39.6 77.41 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 176.265 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.448 HH11 ' HD3' ' A' ' 15' ' ' ARG . 48.1 mtt180 73.32 -44.02 0.57 Allowed 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 115.118 -0.946 . . . . 0.0 112.674 173.277 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -85.97 159.45 54.39 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-O 120.638 0.256 . . . . 0.0 111.128 -177.461 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_exo -64.7 149.56 89.56 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 123.046 2.498 . . . . 0.0 113.204 179.455 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.762 ' HB3' HD11 ' A' ' 22' ' ' LEU . 81.8 mt -100.56 154.19 18.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.941 177.456 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.615 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 19.1 m -92.32 148.11 22.39 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.115 -178.926 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.508 ' HA ' HD12 ' A' ' 23' ' ' LEU . 5.5 m-20 -55.83 -30.16 60.97 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.858 179.771 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.639 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 7.9 mtpm? -60.98 -45.69 93.78 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.081 -179.242 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.762 HD11 ' HB3' ' A' ' 18' ' ' LEU . 4.3 pp -75.01 -29.79 60.95 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.238 176.357 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.573 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 82.7 mt -64.39 -26.83 68.63 Favored 'General case' 0 C--O 1.223 -0.291 0 CA-C-N 116.003 -0.544 . . . . 0.0 112.165 -176.129 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.639 ' HG2' ' O ' ' A' ' 21' ' ' LYS . 13.3 ptm180 -67.0 -6.78 18.31 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 121.119 0.485 . . . . 0.0 111.081 -179.153 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.445 ' NZ ' ' HA ' ' A' ' 22' ' ' LEU . 35.1 mtmm -108.47 -4.71 17.05 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.328 -179.108 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.91 HG22 ' HG ' ' A' ' 47' ' ' LEU . 21.4 t -80.52 90.02 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 179.953 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.56 HD13 ' HB2' ' A' ' 48' ' ' ALA . 23.9 pt -69.14 -30.98 48.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 115.164 -0.926 . . . . 0.0 112.687 -171.966 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -150.17 159.32 44.51 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.039 0.447 . . . . 0.0 111.052 -177.721 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 47.9 t -115.98 125.9 73.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.122 177.561 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.51 ' HG3' ' HB ' ' A' ' 44' ' ' VAL . 5.4 pt-20 -127.37 168.9 14.2 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 179.039 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -145.77 142.11 28.6 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.533 0.682 . . . . 0.0 112.117 -176.544 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.589 ' OE1' ' HB2' ' A' ' 38' ' ' CYS . 7.4 tt0 -85.38 116.71 23.87 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 114.754 -1.112 . . . . 0.0 108.831 171.828 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.428 ' C ' ' H ' ' A' ' 35' ' ' ASP . 40.8 mt-10 -74.52 152.85 39.31 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 178.56 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.45 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . . . -74.25 21.24 0.1 Allowed 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 -171.552 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.428 ' H ' ' C ' ' A' ' 33' ' ' GLU . 33.0 t70 174.96 -23.18 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 123.229 0.612 . . . . 0.0 109.402 -178.409 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -59.9 -23.79 59.55 Favored Glycine 0 C--N 1.331 0.303 0 CA-C-N 115.443 -0.799 . . . . 0.0 113.139 -179.085 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -137.03 -56.71 0.72 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.333 0.587 . . . . 0.0 109.495 177.743 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.589 ' HB2' ' OE1' ' A' ' 32' ' ' GLN . 84.5 m -131.72 -179.25 5.27 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.485 175.839 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -83.18 13.94 3.83 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 114.382 1.253 . . . . 0.0 114.382 -164.947 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -145.12 166.55 25.09 Favored 'General case' 0 C--N 1.321 -0.632 0 O-C-N 121.655 -0.653 . . . . 0.0 110.95 179.337 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.466 ' HA ' ' O ' ' A' ' 32' ' ' GLN . 50.4 tt0 -105.6 131.01 53.52 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.509 -179.786 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -153.56 132.33 12.34 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.292 178.516 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.443 ' O ' HG22 ' A' ' 54' ' ' ILE . 57.6 m-85 -84.75 125.78 32.85 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 175.54 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.51 ' HB ' ' HG3' ' A' ' 30' ' ' GLU . 24.7 t -106.69 114.18 45.17 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.917 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.652 -176.483 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.607 HD12 HD12 ' A' ' 18' ' ' LEU . 19.0 mt -84.67 119.81 25.67 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 -179.471 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -97.05 103.51 15.44 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.127 -169.297 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.91 ' HG ' HG22 ' A' ' 26' ' ' VAL . 5.7 mp -99.29 2.16 45.24 Favored 'General case' 0 C--O 1.213 -0.843 0 CA-C-O 121.053 0.454 . . . . 0.0 110.689 -178.468 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.56 ' HB2' HD13 ' A' ' 27' ' ' ILE . . . 78.72 -67.12 0.17 Allowed 'General case' 0 C--N 1.304 -1.408 0 CA-C-N 114.561 -1.2 . . . . 0.0 110.982 173.427 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.82 -16.14 60.13 Favored 'General case' 0 CA--C 1.516 -0.328 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 171.449 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.851 ' HB2' ' HB2' ' A' ' 47' ' ' LEU . 30.7 mtt180 -128.72 163.57 24.84 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 114.816 -1.083 . . . . 0.0 111.14 174.401 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 63.5 m -151.81 123.33 7.86 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 167.775 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 79.8 mt -118.67 137.32 53.02 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.222 -173.255 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 18.4 m -101.21 120.41 40.19 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 -177.758 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.443 HG22 ' O ' ' A' ' 43' ' ' PHE . 5.5 tt -115.72 147.43 19.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.492 -172.806 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 70.7 t60 -71.67 126.23 91.58 Favored Pre-proline 0 C--N 1.322 -0.619 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 176.068 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_exo -44.56 -47.43 11.26 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 123.239 2.626 . . . . 0.0 113.002 -177.876 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -84.12 71.14 10.6 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.103 177.625 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.407 ' ND2' ' HD2' ' A' ' 59' ' ' PRO . 2.3 t-20 -135.99 120.89 13.22 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 116.24 -0.436 . . . . 0.0 109.826 177.064 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.407 ' HD2' ' ND2' ' A' ' 58' ' ' ASN . 77.1 Cg_exo -51.05 -30.91 33.01 Favored 'Trans proline' 0 C--O 1.234 0.292 0 C-N-CA 123.495 2.797 . . . . 0.0 113.197 -178.567 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.5 m -62.18 -30.83 71.33 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.568 -177.619 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.538 HD13 HD21 ' A' ' 45' ' ' LEU . 37.8 tp -75.48 -38.82 59.31 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.836 -0.345 . . . . 0.0 110.169 -178.042 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.8 m -60.18 -45.85 91.73 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 121.479 0.657 . . . . 0.0 109.355 174.094 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -61.06 -39.76 91.1 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.523 175.929 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.688 ' CZ2' ' HB ' ' A' ' 26' ' ' VAL . 7.6 t-105 -62.11 -37.3 84.58 Favored 'General case' 0 C--O 1.22 -0.461 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.134 -178.857 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -61.48 -39.84 92.38 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.458 -0.497 . . . . 0.0 110.368 177.265 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -66.32 -47.05 74.78 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 121.6 0.714 . . . . 0.0 110.122 175.115 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.572 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 23.0 m170 -72.44 -39.75 67.6 Favored 'General case' 0 C--O 1.22 -0.471 0 CA-C-N 115.133 -0.94 . . . . 0.0 111.8 -172.139 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -62.35 -33.78 75.38 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 178.029 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -61.9 -30.79 71.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.422 178.925 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -113.82 19.51 16.59 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.732 -178.968 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.572 ' HB2' ' O ' ' A' ' 67' ' ' HIS . 10.1 ttmm -131.17 -163.71 1.35 Allowed 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 -177.965 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.497 HD21 ' O ' ' A' ' 26' ' ' VAL . 9.9 mp . . . . . 0 C--O 1.232 0.167 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -176.793 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.471 ' HA ' ' OE1' ' A' ' 32' ' ' GLN . 10.9 t . . . . . 0 N--CA 1.45 -0.448 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 . . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 23.5 t -126.0 126.93 45.11 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.28 -170.121 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 38.9 p -96.83 -44.79 6.91 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.712 -175.562 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.23 102.55 7.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.791 0.329 . . . . 0.0 110.454 -179.617 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 79.0 mt -95.33 133.29 39.41 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.541 -179.755 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.49 ' CE2' ' HB2' ' A' ' 16' ' ' LYS . 22.9 t80 -60.63 -46.8 88.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.335 -178.417 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 68.1 mtp180 69.82 2.16 3.73 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.852 173.772 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.49 ' HB2' ' CE2' ' A' ' 14' ' ' TYR . 14.3 mmmm -122.79 153.2 63.39 Favored Pre-proline 0 C--N 1.32 -0.706 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 179.441 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.811 ' HA ' ' HB2' ' A' ' 60' ' ' SER . 39.0 Cg_exo -61.56 136.73 64.84 Favored 'Trans proline' 0 C--O 1.234 0.301 0 C-N-CA 122.46 2.107 . . . . 0.0 111.977 176.075 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.537 ' HB3' HD11 ' A' ' 22' ' ' LEU . 76.8 mt -86.82 155.42 20.29 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.866 0.365 . . . . 0.0 110.691 -179.104 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.686 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 19.6 m -70.45 138.77 51.46 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.325 178.695 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.553 ' HA ' HD12 ' A' ' 23' ' ' LEU . 1.0 OUTLIER -65.94 -28.12 68.68 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.644 -0.253 . . . . 0.0 110.888 -176.069 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.69 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 27.6 mtpp -61.91 -44.33 97.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.013 179.361 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.686 ' HG ' ' O ' ' A' ' 19' ' ' SER . 4.3 pp -72.97 -26.6 61.42 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.198 178.165 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.553 HD12 ' HA ' ' A' ' 20' ' ' ASP . 75.5 mt -63.01 -31.77 72.99 Favored 'General case' 0 C--O 1.223 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.606 -178.959 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.69 ' HG2' ' O ' ' A' ' 21' ' ' LYS . 14.9 ptm180 -68.18 -1.1 5.43 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-O 121.218 0.533 . . . . 0.0 111.15 179.499 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 52.4 mtmt -118.59 4.27 11.69 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.821 -179.254 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.866 HG22 ' HG ' ' A' ' 47' ' ' LEU . 44.5 t -90.02 105.09 15.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 177.623 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.47 ' HA ' HD21 ' A' ' 72' ' ' LEU . 22.1 pt -89.09 -23.77 6.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 -170.233 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.477 ' HA ' ' OE1' ' A' ' 28' ' ' GLN . 15.8 mm-40 -142.03 155.6 45.41 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.023 0.439 . . . . 0.0 111.917 -176.353 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 35.7 t -116.91 125.2 73.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.162 176.632 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -112.22 122.34 47.47 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.973 0.416 . . . . 0.0 110.333 -173.505 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 15.1 tp -101.14 114.47 28.45 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.56 0.695 . . . . 0.0 111.412 -175.885 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.524 ' O ' ' HA ' ' A' ' 41' ' ' GLN . 7.0 tt0 -90.74 120.55 31.88 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 114.918 -1.037 . . . . 0.0 108.826 173.904 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -96.71 155.46 16.76 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 -179.219 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.07 -13.97 8.44 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 -171.762 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -149.46 11.74 0.79 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.602 0.715 . . . . 0.0 109.49 176.986 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.458 ' O ' ' HB2' ' A' ' 37' ' ' ASP . . . -98.77 97.27 1.84 Allowed Glycine 0 N--CA 1.444 -0.772 0 CA-C-N 115.094 -0.957 . . . . 0.0 111.202 178.837 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.458 ' HB2' ' O ' ' A' ' 36' ' ' GLY . 1.5 m-20 74.71 -10.14 1.23 Allowed 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 123.388 0.675 . . . . 0.0 111.923 -178.232 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.0 t -153.95 -166.76 2.46 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.511 0.196 . . . . 0.0 110.552 -179.971 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 31.1 p-80 -121.91 20.06 10.86 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -175.233 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -155.6 161.89 40.74 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 176.421 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.524 ' HA ' ' O ' ' A' ' 32' ' ' GLN . 56.9 tt0 -101.36 138.29 38.57 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.757 0.313 . . . . 0.0 110.628 178.762 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.548 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -161.51 145.98 13.17 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.622 174.745 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.627 ' CB ' ' HG ' ' A' ' 61' ' ' LEU . 38.8 m-85 -98.05 102.65 14.45 Favored 'General case' 0 C--N 1.314 -0.953 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 173.155 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 58.4 t -96.4 136.69 26.44 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.004 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.716 -175.229 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.518 HD12 HD12 ' A' ' 18' ' ' LEU . 52.5 mt -102.3 123.85 46.84 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 121.242 0.544 . . . . 0.0 111.253 -176.099 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.428 ' HB3' ' HB2' ' A' ' 28' ' ' GLN . 83.3 t60 -98.77 104.5 16.54 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.477 -175.457 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.866 ' HG ' HG22 ' A' ' 26' ' ' VAL . 5.7 mp -81.89 171.6 14.28 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.092 176.154 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.36 -16.15 59.57 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 112.481 0.549 . . . . 0.0 112.481 -174.81 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.1 mp0 -136.67 5.99 2.93 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.64 -0.424 . . . . 0.0 112.045 -176.502 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -171.0 177.98 3.54 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 120.686 -0.406 . . . . 0.0 111.515 -172.896 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 62.3 m -140.35 136.44 33.18 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.811 0.338 . . . . 0.0 110.762 177.439 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 64.2 mt -117.38 138.2 48.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 178.395 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 48.5 m -101.76 121.59 42.36 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.358 0.599 . . . . 0.0 111.314 -170.935 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.548 ' HB ' ' O ' ' A' ' 43' ' ' PHE . 16.3 mt -115.92 135.42 56.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.698 -175.387 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 50.6 t-80 -60.15 130.43 89.22 Favored Pre-proline 0 C--O 1.225 -0.233 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 173.157 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.548 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 78.1 Cg_exo -49.59 -48.16 20.11 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.931 2.421 . . . . 0.0 112.683 -174.41 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 24.7 mm-40 -79.41 80.61 5.77 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 174.132 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 48.1 t-20 -146.25 126.04 6.83 Favored Pre-proline 0 N--CA 1.451 -0.381 0 CA-C-N 115.483 -0.781 . . . . 0.0 109.525 178.436 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -51.72 -36.99 63.89 Favored 'Trans proline' 0 N--CA 1.465 -0.186 0 C-N-CA 123.363 2.708 . . . . 0.0 112.931 177.44 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.811 ' HB2' ' HA ' ' A' ' 17' ' ' PRO . 35.3 t -62.37 -33.05 73.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.457 -175.768 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.627 ' HG ' ' CB ' ' A' ' 43' ' ' PHE . 0.8 OUTLIER -80.14 -48.5 13.09 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 -177.686 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 18.1 t -59.7 -49.86 76.09 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-O 121.327 0.584 . . . . 0.0 110.216 179.514 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -64.36 -28.66 69.85 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.476 178.205 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.493 ' CZ3' ' HB3' ' A' ' 23' ' ' LEU . 16.3 t-105 -63.58 -42.45 98.28 Favored 'General case' 0 C--O 1.218 -0.6 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.381 177.661 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -54.71 -40.25 69.01 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.771 -0.371 . . . . 0.0 110.677 176.123 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.494 ' O ' ' HB3' ' A' ' 69' ' ' GLU . 41.8 mm-40 -66.44 -50.73 62.39 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 121.528 0.68 . . . . 0.0 111.196 174.701 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.513 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 65.0 m80 -74.15 -30.17 62.14 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.906 -0.588 . . . . 0.0 112.34 -172.068 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.467 ' HG2' ' O ' ' A' ' 64' ' ' TRP . 12.9 pt20 -69.44 -29.72 67.49 Favored 'General case' 0 CA--C 1.518 -0.281 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 176.093 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.494 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 18.7 tp10 -59.24 -35.52 73.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.263 175.398 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 8.1 ptt180 -113.46 28.37 8.83 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.048 -0.523 . . . . 0.0 112.209 178.071 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.513 ' HB2' ' O ' ' A' ' 67' ' ' HIS . 21.5 ttmt -138.04 -168.34 2.34 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 175.511 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.509 HD21 ' O ' ' A' ' 26' ' ' VAL . 8.9 mp . . . . . 0 C--N 1.343 0.285 0 CA-C-O 121.221 0.534 . . . . 0.0 111.218 -172.062 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.406 ' HA ' ' NE2' ' A' ' 32' ' ' GLN . 0.5 OUTLIER . . . . . 0 N--CA 1.443 -0.785 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 . . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 40.8 t -73.96 124.98 27.22 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.651 -1.159 . . . . 0.0 111.525 -173.26 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 33.6 p -103.76 -7.09 20.86 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.878 -179.878 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.3 125.87 11.74 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.529 0.68 . . . . 0.0 111.797 -178.257 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.575 HD23 ' SG ' ' A' ' 53' ' ' CYS . 63.7 mt -96.74 145.47 25.78 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.531 -0.758 . . . . 0.0 110.431 -177.474 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -78.73 -27.56 44.85 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 177.374 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.437 HH11 ' HD3' ' A' ' 15' ' ' ARG . 14.6 mmm-85 71.33 -50.95 0.69 Allowed 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 115.336 -0.847 . . . . 0.0 112.117 176.661 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 61.5 tttp -66.38 141.34 97.14 Favored Pre-proline 0 C--N 1.325 -0.487 0 C-N-CA 122.826 0.45 . . . . 0.0 111.454 -178.635 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_exo -57.56 148.05 75.38 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.776 2.317 . . . . 0.0 111.7 170.864 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.625 ' HB3' HD11 ' A' ' 22' ' ' LEU . 63.7 mt -94.29 156.37 16.56 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.931 0.396 . . . . 0.0 111.457 -174.913 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.625 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 12.8 m -81.1 138.86 35.92 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.491 178.549 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.593 ' OD1' ' HE3' ' A' ' 71' ' ' LYS . 25.0 t70 -61.57 -32.04 72.11 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.91 -176.787 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.547 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 89.4 mttt -58.63 -47.48 84.26 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.966 179.866 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.625 HD11 ' HB3' ' A' ' 18' ' ' LEU . 4.6 pp -74.55 -28.99 61.19 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.485 178.461 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.534 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 59.6 mt -61.8 -45.82 92.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.673 -178.44 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.547 ' HG2' ' O ' ' A' ' 21' ' ' LYS . 13.9 ptt180 -57.7 -8.55 0.93 Allowed 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -178.81 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.505 ' HE2' ' HA ' ' A' ' 22' ' ' LEU . 51.6 mtmt -106.31 7.93 31.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.73 0.3 . . . . 0.0 111.719 -177.91 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.542 HG22 ' HG ' ' A' ' 47' ' ' LEU . 91.7 t -75.03 138.96 19.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 174.524 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 28.0 pt -97.56 -41.55 10.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.433 -178.814 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -147.18 151.94 37.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.85 0.357 . . . . 0.0 110.328 -179.13 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 40.8 t -109.41 136.88 43.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 177.784 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.412 ' CD ' ' HD1' ' A' ' 46' ' ' HIS . 0.6 OUTLIER -132.94 171.25 14.2 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.747 -175.42 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -146.18 139.11 25.65 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.273 178.809 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.504 ' HG2' ' O ' ' A' ' 40' ' ' LEU . 61.3 tt0 -81.21 114.48 20.05 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 171.835 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -64.51 130.72 44.8 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.353 -178.408 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.689 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . . . -70.34 -17.77 63.07 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.888 -175.435 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -141.2 -18.2 0.81 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.132 -178.374 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -71.52 -96.2 0.07 OUTLIER Glycine 0 CA--C 1.519 0.334 0 C-N-CA 121.125 -0.56 . . . . 0.0 113.485 -177.679 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -75.36 -26.53 58.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.388 0.613 . . . . 0.0 110.363 -176.477 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 60.2 m -133.07 -175.74 3.89 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.875 -178.646 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 4.8 p80 -120.09 30.11 7.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.169 0.509 . . . . 0.0 111.155 -178.131 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.504 ' O ' ' HG2' ' A' ' 32' ' ' GLN . 0.8 OUTLIER -157.12 156.65 33.1 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 174.792 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.689 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 7.3 tt0 -104.21 143.69 32.61 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.962 -0.295 . . . . 0.0 111.334 -176.871 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.572 ' HA ' ' HG3' ' A' ' 56' ' ' PRO . . . -162.14 127.58 3.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.127 173.805 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.45 ' HD2' ' HA ' ' A' ' 56' ' ' PRO . 30.2 m-85 -86.36 117.92 25.47 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 175.79 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 24.5 t -114.6 137.48 47.84 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.938 -169.403 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.504 HD22 ' N ' ' A' ' 45' ' ' LEU . 2.7 mm? -109.74 113.83 26.91 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.496 -0.774 . . . . 0.0 109.489 -175.477 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.412 ' HD1' ' CD ' ' A' ' 30' ' ' GLU . 0.5 OUTLIER -105.33 112.81 26.06 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.791 -171.572 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.542 ' HG ' HG22 ' A' ' 26' ' ' VAL . 4.9 mp -100.67 163.44 12.34 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.642 178.495 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.27 -20.57 63.04 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.865 0.364 . . . . 0.0 111.286 -177.145 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.88 -5.37 12.04 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.352 -176.143 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.406 ' HG3' HD13 ' A' ' 47' ' ' LEU . 14.0 ptm180 -169.24 174.48 6.12 Favored 'General case' 0 C--O 1.224 -0.271 0 C-N-CA 121.016 -0.273 . . . . 0.0 110.877 -172.575 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 38.8 m -145.69 123.88 12.21 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.817 0.341 . . . . 0.0 110.378 177.313 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.54 HG21 HD21 ' A' ' 18' ' ' LEU . 54.4 mt -114.18 134.48 56.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.913 178.985 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.575 ' SG ' HD23 ' A' ' 13' ' ' LEU . 42.4 t -104.16 120.38 40.99 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 120.976 0.417 . . . . 0.0 110.412 -178.461 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.53 HG21 ' HB2' ' A' ' 61' ' ' LEU . 0.4 OUTLIER -100.95 144.94 12.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.512 0.672 . . . . 0.0 112.388 -178.526 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.409 ' O ' ' HB2' ' A' ' 58' ' ' ASN . 40.9 t-80 -62.03 124.76 83.28 Favored Pre-proline 0 C--O 1.224 -0.272 0 CA-C-N 114.983 -1.008 . . . . 0.0 109.418 173.291 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.572 ' HG3' ' HA ' ' A' ' 42' ' ' ALA . 93.5 Cg_exo -41.95 -58.03 1.32 Allowed 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 123.341 2.694 . . . . 0.0 113.883 -174.195 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -81.45 78.8 8.18 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.792 -0.448 . . . . 0.0 109.792 175.571 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.438 ' HA ' ' HD2' ' A' ' 59' ' ' PRO . 64.1 t30 -137.84 126.18 14.36 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.399 178.307 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.438 ' HD2' ' HA ' ' A' ' 58' ' ' ASN . 11.0 Cg_endo -54.79 -30.32 67.0 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 122.963 2.442 . . . . 0.0 112.238 177.873 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.541 ' HA ' ' OE1' ' A' ' 63' ' ' GLN . 11.7 t -62.25 -35.52 79.19 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.634 -179.796 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.53 ' HB2' HG21 ' A' ' 54' ' ' ILE . 1.1 tm? -71.0 -47.98 55.72 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 179.92 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.5 m -58.69 -50.66 73.05 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.941 179.557 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.541 ' OE1' ' HA ' ' A' ' 60' ' ' SER . 3.7 pt20 -65.38 -28.39 69.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.439 -178.604 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.534 ' CZ3' ' HB3' ' A' ' 23' ' ' LEU . 12.3 t-105 -68.3 -35.48 77.88 Favored 'General case' 0 C--O 1.219 -0.513 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.994 179.647 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.412 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 6.4 m-85 -62.69 -33.01 74.21 Favored 'General case' 0 C--N 1.319 -0.737 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.24 175.359 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -72.86 -48.81 34.35 Favored 'General case' 0 C--O 1.24 0.59 0 CA-C-O 121.569 0.699 . . . . 0.0 110.367 174.374 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.497 ' O ' ' HG2' ' A' ' 70' ' ' ARG . 12.3 m170 -66.35 -35.86 81.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.562 -177.489 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.412 ' HG2' ' O ' ' A' ' 65' ' ' PHE . 10.4 pt20 -68.06 -29.25 68.17 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.765 -0.458 . . . . 0.0 109.765 179.919 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -62.81 -28.89 70.31 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.161 177.062 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.497 ' HG2' ' O ' ' A' ' 67' ' ' HIS . 8.0 ptp180 -106.57 10.68 31.12 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.534 -178.236 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.593 ' HE3' ' OD1' ' A' ' 20' ' ' ASP . 53.2 mttm -136.59 -154.77 0.57 Allowed 'General case' 0 N--CA 1.468 0.442 0 O-C-N 122.458 -0.151 . . . . 0.0 111.21 179.586 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.9 mp . . . . . 0 C--N 1.345 0.405 0 C-N-CA 123.692 0.797 . . . . 0.0 111.489 -176.12 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 7.4 t . . . . . 0 C--O 1.233 0.231 0 CA-C-O 121.89 0.853 . . . . 0.0 109.264 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 13.0 t -86.6 122.84 31.08 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 114.638 -1.165 . . . . 0.0 110.323 178.146 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.0 t -112.95 5.45 17.3 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.546 176.853 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.27 95.17 3.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.777 0.798 . . . . 0.0 111.134 178.413 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.674 HD23 ' SG ' ' A' ' 53' ' ' CYS . 48.5 mt -75.01 142.86 43.78 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.337 -175.756 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 16.8 t80 -75.34 -37.02 60.92 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.638 -0.505 . . . . 0.0 109.638 177.788 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 75.0 mtm180 72.17 -19.55 0.28 Allowed 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 173.327 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -90.64 155.35 45.85 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-O 120.816 0.341 . . . . 0.0 111.439 -177.327 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_endo -76.21 142.39 24.26 Favored 'Trans proline' 0 N--CA 1.461 -0.394 0 C-N-CA 122.494 2.129 . . . . 0.0 111.357 172.494 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.931 ' HB3' HD11 ' A' ' 22' ' ' LEU . 87.2 mt -96.18 144.17 26.63 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 120.945 0.403 . . . . 0.0 110.778 -176.743 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.541 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 17.3 m -70.94 143.81 50.77 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.803 -178.94 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.506 ' HA ' HD12 ' A' ' 23' ' ' LEU . 16.7 t70 -61.69 -30.66 70.89 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.172 -175.826 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.637 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 66.1 mttm -63.21 -46.78 85.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.265 179.094 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.931 HD11 ' HB3' ' A' ' 18' ' ' LEU . 4.5 pp -74.15 -26.64 60.43 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.603 -0.439 . . . . 0.0 110.027 176.874 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.506 HD12 ' HA ' ' A' ' 20' ' ' ASP . 53.7 mt -63.32 -41.63 98.92 Favored 'General case' 0 C--O 1.22 -0.476 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.174 178.223 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.637 ' HG2' ' O ' ' A' ' 21' ' ' LYS . 13.9 ptm180 -64.32 -4.37 3.73 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 121.246 0.546 . . . . 0.0 111.56 -179.084 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.403 ' HD3' ' HA ' ' A' ' 22' ' ' LEU . 40.3 mtpt -103.06 0.13 31.55 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.484 177.538 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.952 HG22 ' HG ' ' A' ' 47' ' ' LEU . 30.5 t -86.79 137.91 20.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 173.812 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 17.7 pt -114.86 -23.68 4.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -175.578 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.498 ' HB2' ' HB3' ' A' ' 46' ' ' HIS . 72.3 mm-40 -143.57 157.54 44.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.976 0.417 . . . . 0.0 111.663 -177.307 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 20.3 t -116.38 122.66 70.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 172.107 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.618 ' HG3' ' HB ' ' A' ' 44' ' ' VAL . 3.7 pt-20 -116.5 122.61 45.24 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.204 0.526 . . . . 0.0 111.02 -177.667 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 40.7 tp -93.33 121.42 34.69 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.357 -173.76 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -91.46 119.9 31.83 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.193 -0.912 . . . . 0.0 109.675 175.899 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -81.12 151.2 28.4 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.591 -176.537 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.727 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . . . -75.88 -8.55 57.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.807 -173.075 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -146.25 4.09 0.92 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.43 -176.308 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -76.15 -86.96 0.33 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.421 -175.302 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -107.64 5.8 27.23 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.054 0.454 . . . . 0.0 110.058 179.915 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -157.29 154.91 29.81 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.011 -0.736 . . . . 0.0 109.011 -178.335 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -92.57 38.29 1.01 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.16 0.505 . . . . 0.0 110.905 179.969 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.5 tt -157.68 138.13 12.85 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 -176.634 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.727 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 35.6 tt0 -94.55 129.52 41.33 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.948 0.404 . . . . 0.0 110.5 179.658 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.424 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -146.38 151.95 38.3 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.852 -178.454 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.46 ' HB3' ' HG ' ' A' ' 61' ' ' LEU . 22.3 m-85 -109.83 102.45 11.23 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 173.065 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.618 ' HB ' ' HG3' ' A' ' 30' ' ' GLU . 40.9 t -96.36 133.33 38.05 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.425 -173.853 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.655 HD12 HD12 ' A' ' 18' ' ' LEU . 47.2 mt -100.74 122.96 44.25 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.298 0.57 . . . . 0.0 110.784 -179.027 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.498 ' HB3' ' HB2' ' A' ' 28' ' ' GLN . 4.8 t60 -92.85 95.95 9.83 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.068 -0.969 . . . . 0.0 110.214 -176.306 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.952 ' HG ' HG22 ' A' ' 26' ' ' VAL . 6.1 mp -76.71 166.94 22.68 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 174.556 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.35 -17.99 64.97 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 120.943 0.401 . . . . 0.0 111.184 -175.085 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.7 -19.14 10.08 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.385 -175.82 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -162.96 178.08 8.67 Favored 'General case' 0 C--O 1.22 -0.486 0 CA-C-N 116.804 -0.18 . . . . 0.0 111.001 -164.771 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 53.9 m -132.46 139.27 47.92 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.99 0.424 . . . . 0.0 110.418 174.003 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 66.5 mt -116.07 142.98 27.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 179.003 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.674 ' SG ' HD23 ' A' ' 13' ' ' LEU . 41.6 t -102.14 120.85 41.12 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.004 0.43 . . . . 0.0 110.9 -174.378 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -116.31 144.75 23.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-O 121.23 0.538 . . . . 0.0 111.037 -177.269 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 40.9 t-80 -77.54 133.25 67.43 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.359 175.794 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.519 ' O ' ' HB2' ' A' ' 57' ' ' GLN . 51.3 Cg_exo -53.95 151.85 25.58 Favored 'Trans proline' 0 CA--C 1.528 0.183 0 C-N-CA 122.467 2.111 . . . . 0.0 112.07 176.956 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.519 ' HB2' ' O ' ' A' ' 56' ' ' PRO . 12.7 mm100 76.87 -1.76 2.79 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.01 0.524 . . . . 0.0 112.229 -178.224 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -74.92 123.94 89.25 Favored Pre-proline 0 C--N 1.326 -0.453 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 172.311 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -54.73 -26.35 46.69 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 123.451 2.767 . . . . 0.0 112.552 -175.535 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 21.3 t -60.46 -30.33 69.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.146 -179.337 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.46 ' HG ' ' HB3' ' A' ' 43' ' ' PHE . 0.3 OUTLIER -80.44 -54.63 5.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.743 0.306 . . . . 0.0 110.439 -179.317 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.578 ' O ' ' HB2' ' A' ' 65' ' ' PHE . 5.4 m -60.44 -45.92 91.9 Favored 'General case' 0 C--O 1.242 0.661 0 CA-C-O 121.447 0.642 . . . . 0.0 111.011 -177.332 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -64.7 -31.7 73.05 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.227 177.511 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.561 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 25.7 t-105 -65.58 -33.27 75.52 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.489 177.853 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.578 ' HB2' ' O ' ' A' ' 62' ' ' SER . 2.1 m-85 -52.24 -52.98 49.29 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.147 0.498 . . . . 0.0 110.279 175.614 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -79.07 -31.77 44.52 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 120.216 -0.593 . . . . 0.0 111.186 -179.071 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.529 ' HB2' ' HA ' ' A' ' 64' ' ' TRP . 9.1 m170 -63.25 -44.56 94.84 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.03 178.309 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.561 ' HG2' ' O ' ' A' ' 64' ' ' TRP . 10.2 pt20 -66.61 -31.71 72.58 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-O 120.594 0.235 . . . . 0.0 110.435 -179.59 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -54.66 -36.19 64.34 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.434 178.279 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 26.8 ptt180 -114.68 36.43 3.82 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.954 179.309 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.57 ' HD3' ' HB3' ' A' ' 24' ' ' ARG . 8.0 ttmm -144.02 -157.89 0.83 Allowed 'General case' 0 CA--C 1.535 0.378 0 O-C-N 122.106 -0.371 . . . . 0.0 110.426 -178.054 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.405 HD12 ' N ' ' A' ' 72' ' ' LEU . 7.3 mp . . . . . 0 C--N 1.344 0.329 0 C-N-CA 123.081 0.552 . . . . 0.0 111.844 -178.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 79.5 t80 . . . . . 0 N--CA 1.48 1.071 0 CA-C-O 121.082 0.467 . . . . 0.0 110.362 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.504 ' O ' ' HD3' ' A' ' 4' ' ' PRO . 2.6 pt? -153.08 144.52 23.3 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.635 -0.712 . . . . 0.0 109.1 174.594 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.425 HD13 ' HA ' ' A' ' 3' ' ' LEU . 4.2 mm? -81.2 109.33 13.4 Favored Pre-proline 0 C--N 1.317 -0.83 0 O-C-N 123.333 0.396 . . . . 0.0 110.138 175.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.504 ' HD3' ' O ' ' A' ' 2' ' ' LEU . 20.8 Cg_exo -65.68 141.42 66.17 Favored 'Trans proline' 0 N--CA 1.463 -0.316 0 C-N-CA 122.804 2.336 . . . . 0.0 112.267 -179.617 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.605 ' HG3' ' HE1' ' A' ' 46' ' ' HIS . 73.2 Cg_exo -50.55 130.55 30.15 Favored 'Trans proline' 0 C--O 1.235 0.34 0 C-N-CA 123.235 2.624 . . . . 0.0 112.283 177.372 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.4 p 54.9 30.25 13.56 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 123.715 0.806 . . . . 0.0 111.216 -178.481 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.2 m -132.82 47.88 2.46 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 172.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.402 ' O ' ' HG3' ' A' ' 32' ' ' GLN . . . -86.36 93.58 9.14 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 114.788 -1.096 . . . . 0.0 111.349 -172.027 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.425 ' HA ' ' HB2' ' A' ' 38' ' ' CYS . 24.4 t -125.09 63.36 1.15 Allowed 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 170.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 75.4 m -71.97 117.75 13.97 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.707 -1.133 . . . . 0.0 111.03 -176.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 16.5 p -92.51 -8.53 44.28 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.655 0.741 . . . . 0.0 109.763 171.178 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -120.42 157.07 30.11 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 114.938 -1.028 . . . . 0.0 110.506 178.581 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 93.5 mt -135.08 139.87 45.07 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 178.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.604 ' CE2' ' HB2' ' A' ' 16' ' ' LYS . 23.0 t80 -70.9 -46.87 61.77 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.558 -177.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 63.0 mtp180 71.23 10.37 6.73 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 171.474 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.604 ' HB2' ' CE2' ' A' ' 14' ' ' TYR . 2.1 mptm? -102.15 148.23 35.09 Favored Pre-proline 0 C--N 1.326 -0.431 0 C-N-CA 120.889 -0.324 . . . . 0.0 110.629 175.215 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -69.89 110.99 2.71 Favored 'Trans proline' 0 C--O 1.239 0.549 0 C-N-CA 122.247 1.965 . . . . 0.0 110.712 169.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.616 HD12 HD12 ' A' ' 45' ' ' LEU . 71.0 mt -69.05 144.33 54.04 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.082 0.468 . . . . 0.0 111.123 -173.786 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.645 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 9.4 m -71.59 131.76 43.68 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.357 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.544 ' HA ' HD12 ' A' ' 23' ' ' LEU . 33.7 t70 -58.73 -28.45 65.86 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.311 0.577 . . . . 0.0 110.724 -178.024 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.605 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 90.6 mttt -59.03 -48.2 82.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.199 -0.909 . . . . 0.0 110.641 177.684 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.645 ' HG ' ' O ' ' A' ' 19' ' ' SER . 4.2 pp -75.3 -27.72 59.44 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.365 176.032 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.594 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 70.5 mt -61.77 -36.29 80.62 Favored 'General case' 0 C--O 1.225 -0.205 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.533 -178.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.605 ' HG2' ' O ' ' A' ' 21' ' ' LYS . 13.2 ptm180 -63.88 -0.42 1.07 Allowed 'General case' 0 N--CA 1.47 0.559 0 O-C-N 122.101 -0.375 . . . . 0.0 111.72 179.527 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -114.32 7.29 16.38 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.882 177.301 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 1.044 HG22 ' HG ' ' A' ' 47' ' ' LEU . 43.1 t -92.26 89.47 2.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 121.242 0.544 . . . . 0.0 109.689 178.192 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 26.4 pt -75.68 -15.92 15.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.591 -0.732 . . . . 0.0 112.72 -171.359 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.6 ' HB2' ' HB3' ' A' ' 46' ' ' HIS . 68.5 mm-40 -142.68 151.36 41.31 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.205 0.526 . . . . 0.0 112.007 -175.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 54.0 t -120.16 115.19 46.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 170.454 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.636 ' HG3' HG22 ' A' ' 44' ' ' VAL . 6.5 pt-20 -110.34 120.75 43.44 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.747 0.784 . . . . 0.0 111.143 -175.571 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 44.5 tp -84.48 120.56 26.46 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 114.895 -1.048 . . . . 0.0 110.808 -177.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.571 ' NE2' ' HG ' ' A' ' 40' ' ' LEU . 45.2 tt0 -80.23 104.29 10.68 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.342 173.63 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -69.88 141.37 53.19 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.516 -179.393 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.641 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . . . -75.89 4.3 8.42 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.786 -176.216 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -159.29 -39.81 0.06 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.128 178.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -69.82 -7.1 58.26 Favored Glycine 0 CA--C 1.521 0.408 0 CA-C-N 115.664 -0.698 . . . . 0.0 113.89 -176.539 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -149.19 -49.53 0.15 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 117.551 0.676 . . . . 0.0 110.863 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.425 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 44.8 t -127.39 179.47 5.46 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 178.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 28.3 p-80 -93.99 9.64 36.71 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.757 0.313 . . . . 0.0 111.627 -178.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.571 ' HG ' ' NE2' ' A' ' 32' ' ' GLN . 0.6 OUTLIER -149.82 163.19 38.68 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 174.111 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.641 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 50.5 tt0 -99.91 139.16 35.98 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.895 0.378 . . . . 0.0 111.126 -176.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.594 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -153.19 150.68 29.28 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.638 177.044 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.56 ' O ' ' HB ' ' A' ' 54' ' ' ILE . 15.3 m-85 -106.62 99.51 9.08 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 172.553 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.636 HG22 ' HG3' ' A' ' 30' ' ' GLU . 0.8 OUTLIER -107.55 141.81 21.83 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 C-N-CA 120.048 -0.661 . . . . 0.0 109.917 -175.088 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.616 HD12 HD12 ' A' ' 18' ' ' LEU . 58.0 mt -100.05 132.24 45.52 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.372 -172.413 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.605 ' HE1' ' HG3' ' A' ' 5' ' ' PRO . 22.9 t60 -101.95 101.4 11.81 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.763 -175.2 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 1.044 ' HG ' HG22 ' A' ' 26' ' ' VAL . 5.2 mp -81.94 168.38 17.95 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 173.713 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -76.41 1.38 16.52 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-O 120.804 0.335 . . . . 0.0 111.529 -175.064 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.403 HE21 ' HB2' ' A' ' 49' ' ' GLN . 0.0 OUTLIER -135.24 -2.36 2.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.003 -178.421 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.431 ' HG3' HD13 ' A' ' 47' ' ' LEU . 8.8 ptp180 -175.73 170.95 2.79 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 120.959 -0.296 . . . . 0.0 111.618 -169.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 59.0 m -133.56 138.75 46.2 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.777 172.449 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.436 ' O ' ' HB ' ' A' ' 44' ' ' VAL . 61.5 mt -119.45 144.0 29.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 -178.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.531 ' HA ' ' HB ' ' A' ' 44' ' ' VAL . 33.8 m -100.64 121.8 42.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.417 0.627 . . . . 0.0 110.552 -173.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.56 ' HB ' ' O ' ' A' ' 43' ' ' PHE . 6.2 mt -118.45 141.59 37.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.22 -176.239 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.489 ' CE1' ' HB2' ' A' ' 57' ' ' GLN . 36.1 t-80 -61.59 129.69 91.49 Favored Pre-proline 0 C--N 1.331 -0.196 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.486 174.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.594 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 5.4 Cg_endo -49.49 -43.17 39.85 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.797 2.332 . . . . 0.0 112.393 -177.641 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.489 ' HB2' ' CE1' ' A' ' 55' ' ' HIS . 2.8 mp0 -87.32 82.14 7.68 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 173.046 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.426 ' HA ' ' HD2' ' A' ' 59' ' ' PRO . 64.8 t30 -144.38 126.01 8.04 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 116.638 -0.256 . . . . 0.0 110.603 177.6 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' A' ' 58' ' ' ASN . 9.3 Cg_endo -53.75 -30.81 58.36 Favored 'Trans proline' 0 CA--C 1.531 0.355 0 C-N-CA 123.266 2.644 . . . . 0.0 112.783 178.697 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.3 t -63.3 -33.47 75.59 Favored 'General case' 0 N--CA 1.462 0.129 0 C-N-CA 121.165 -0.214 . . . . 0.0 110.887 -178.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.45 -43.67 31.62 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.53 ' HB3' ' HA ' ' A' ' 86' ' ' LYS . 67.9 m -60.39 -49.28 78.21 Favored 'General case' 0 C--O 1.241 0.634 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.538 177.657 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.421 ' HG3' ' O ' ' A' ' 59' ' ' PRO . 47.3 mt-30 -61.42 -31.51 71.45 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-O 121.004 0.43 . . . . 0.0 109.951 177.377 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.624 ' CH2' HD21 ' A' ' 72' ' ' LEU . 15.3 t-105 -67.17 -30.28 70.21 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.771 -179.664 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -61.02 -41.92 97.48 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.979 0.418 . . . . 0.0 110.157 174.34 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.402 ' OE1' ' HA ' ' A' ' 63' ' ' GLN . 25.1 mt-10 -66.51 -49.93 64.9 Favored 'General case' 0 C--O 1.239 0.552 0 CA-C-O 121.91 0.862 . . . . 0.0 109.99 176.124 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.437 ' HB3' ' HD3' ' A' ' 71' ' ' LYS . 13.6 m170 -66.12 -44.66 83.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.973 -1.012 . . . . 0.0 111.505 -174.123 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.485 ' HA ' ' CD2' ' A' ' 72' ' ' LEU . 10.9 pt20 -64.25 -28.95 70.08 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.996 0.427 . . . . 0.0 110.287 -177.824 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -68.17 -23.0 64.81 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.688 179.417 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 17.8 ptp180 -111.82 -3.47 14.92 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -178.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.437 ' HD3' ' HB3' ' A' ' 67' ' ' HIS . 23.5 mtpp -121.41 -153.27 0.54 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.667 -0.242 . . . . 0.0 110.542 -177.548 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.624 HD21 ' CH2' ' A' ' 64' ' ' TRP . 2.5 mm? 53.39 20.97 2.17 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 112.991 0.737 . . . . 0.0 112.991 -177.201 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 50.8 t-80 68.54 -4.38 1.15 Allowed 'General case' 0 CA--C 1.536 0.414 0 O-C-N 123.36 0.413 . . . . 0.0 111.491 176.444 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 103.39 25.55 7.32 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.831 -178.395 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 25.4 p -119.29 118.86 32.38 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 117.016 0.408 . . . . 0.0 110.777 176.625 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.402 HD11 ' HG3' ' A' ' 68' ' ' GLN . 21.7 mt -144.31 157.11 57.07 Favored Pre-proline 0 N--CA 1.45 -0.464 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.218 -179.615 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -84.49 -179.23 3.72 Favored 'Trans proline' 0 N--CA 1.46 -0.491 0 C-N-CA 123.272 2.648 . . . . 0.0 112.208 178.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm -85.83 78.02 9.61 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.129 0.49 . . . . 0.0 110.627 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.424 ' HB3' ' HD2' ' A' ' 81' ' ' PHE . 75.1 mt -103.18 114.33 28.54 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.474 177.394 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 47.8 m-80 -91.31 58.2 3.58 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 177.353 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.439 ' HA ' ' SD ' ' A' ' 83' ' ' MET . 37.9 p90 -80.63 36.28 0.38 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.924 -1.034 . . . . 0.0 111.694 -172.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -73.22 -10.7 78.85 Favored Glycine 0 N--CA 1.448 -0.511 0 CA-C-N 115.888 -0.597 . . . . 0.0 112.747 -176.634 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.439 ' SD ' ' HA ' ' A' ' 81' ' ' PHE . 0.0 OUTLIER -78.41 -14.23 59.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.013 0.435 . . . . 0.0 110.56 178.413 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.4 mp -111.13 -81.99 0.58 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.629 175.237 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.405 ' C ' ' H ' ' A' ' 87' ' ' MET . 81.9 mtt180 42.44 68.91 0.42 Allowed 'General case' 0 N--CA 1.469 0.524 0 O-C-N 123.549 0.53 . . . . 0.0 112.314 -178.02 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.53 ' HA ' ' HB3' ' A' ' 62' ' ' SER . 52.4 tptt 73.55 -25.07 0.2 Allowed 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 175.27 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.405 ' H ' ' C ' ' A' ' 85' ' ' ARG . 54.5 mtm -84.9 26.14 0.87 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.977 0.418 . . . . 0.0 111.059 -177.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.087 0 CA-C-O 118.187 -1.34 . . . . 0.0 111.04 176.772 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 27.7 p90 . . . . . 0 N--CA 1.478 0.932 0 CA-C-O 121.359 0.599 . . . . 0.0 110.722 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 9.8 tt -107.74 116.64 32.32 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 172.401 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.495 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 3.8 mm? -70.15 116.46 44.71 Favored Pre-proline 0 C--N 1.324 -0.526 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 176.584 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.464 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 75.3 Cg_exo -50.09 138.68 35.73 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 123.16 2.574 . . . . 0.0 112.337 -179.268 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.464 ' HD3' ' HA ' ' A' ' 4' ' ' PRO . 79.6 Cg_exo -49.22 120.93 6.16 Favored 'Trans proline' 0 C--O 1.235 0.356 0 C-N-CA 123.341 2.694 . . . . 0.0 113.041 -177.205 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.8 m 67.03 16.04 10.25 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.283 177.154 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.3 m -111.61 67.03 0.64 Allowed 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 173.221 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -93.29 108.74 20.33 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.253 -0.885 . . . . 0.0 112.263 -169.059 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 38.0 t -145.74 99.13 3.23 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.466 -0.788 . . . . 0.0 108.937 170.593 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 71.4 m -106.21 130.61 54.05 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.179 0.514 . . . . 0.0 111.528 -174.143 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.9 p -97.9 4.76 49.52 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.496 176.494 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -144.99 158.64 43.75 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.325 179.119 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.422 HD13 ' HB2' ' A' ' 55' ' ' HIS . 82.3 mt -137.48 143.96 42.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.048 0.451 . . . . 0.0 110.934 -177.016 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -81.82 -36.76 28.0 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.3 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 72.48 -59.36 0.56 Allowed 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.798 0.839 . . . . 0.0 112.294 177.457 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.422 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 26.9 mtpp -62.24 149.77 86.26 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 115.769 -0.65 . . . . 0.0 112.006 -171.52 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 16' ' ' LYS . 24.3 Cg_exo -63.85 122.69 10.83 Favored 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 122.913 2.408 . . . . 0.0 112.063 176.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.772 HD12 HD12 ' A' ' 45' ' ' LEU . 80.9 mt -76.05 172.63 12.44 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.343 179.356 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.484 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 31.7 t -93.63 142.97 26.75 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.735 0.302 . . . . 0.0 110.491 179.307 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -59.07 -28.87 66.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.194 178.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.454 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 58.5 mttp -57.17 -44.99 84.05 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.69 177.646 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.404 ' HG ' ' HB3' ' A' ' 19' ' ' SER . 0.6 OUTLIER -73.95 -35.07 64.51 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-O 121.512 0.672 . . . . 0.0 109.335 -179.737 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' A' ' 19' ' ' SER . 79.0 mt -64.98 -36.36 84.14 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.856 -1.065 . . . . 0.0 111.77 -173.758 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.707 ' HB3' ' HD3' ' A' ' 71' ' ' LYS . 15.6 ptt180 -70.75 4.04 2.79 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 121.057 0.456 . . . . 0.0 111.274 179.248 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.4 mtmt -114.89 6.45 15.41 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.128 178.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.534 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 13.6 t -74.77 141.8 15.5 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.703 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.356 177.845 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.612 HD13 ' HA ' ' A' ' 48' ' ' ALA . 13.6 pt -107.67 -23.51 4.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.327 -179.702 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -155.17 154.32 32.12 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.293 0.568 . . . . 0.0 112.106 -177.378 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -120.21 116.81 51.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.411 170.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -122.15 154.49 37.36 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.225 0.536 . . . . 0.0 111.36 -177.43 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 66.3 tp -119.94 124.37 45.82 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.086 -178.224 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.564 ' O ' ' HA ' ' A' ' 41' ' ' GLN . 48.2 tt0 -81.84 115.62 21.13 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 168.782 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -83.09 151.86 25.58 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.742 0.306 . . . . 0.0 110.821 -175.71 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.6 -2.17 18.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.525 -175.511 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -147.96 -30.41 0.3 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.836 176.666 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -70.99 94.38 0.53 Allowed Glycine 0 N--CA 1.449 -0.456 0 CA-C-N 115.832 -0.622 . . . . 0.0 112.744 177.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.7 t70 99.03 -40.68 0.01 OUTLIER 'General case' 0 CA--C 1.507 -0.703 0 C-N-CA 125.234 1.414 . . . . 0.0 108.68 170.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 99.2 m -143.48 171.36 14.26 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 114.74 -1.118 . . . . 0.0 109.955 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 27.3 t60 -106.67 64.86 0.66 Allowed 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 121.064 -0.254 . . . . 0.0 111.523 -175.455 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.533 ' O ' ' HG2' ' A' ' 32' ' ' GLN . 1.1 pp 178.49 149.7 0.23 Allowed 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 171.188 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.564 ' HA ' ' O ' ' A' ' 32' ' ' GLN . 63.0 tt0 -99.3 136.91 38.56 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.742 0.306 . . . . 0.0 110.984 -176.749 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -156.13 136.4 13.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.883 178.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -92.77 122.07 34.8 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 174.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 41.8 t -110.55 122.27 64.78 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-O 121.116 0.484 . . . . 0.0 111.201 -173.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.772 HD12 HD12 ' A' ' 18' ' ' LEU . 50.8 mt -94.61 115.97 28.2 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.731 178.382 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -102.86 102.89 13.02 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.367 -170.084 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.534 ' HA ' ' HA ' ' A' ' 26' ' ' VAL . 6.2 mp -85.71 159.17 19.86 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 172.4 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.612 ' HA ' HD13 ' A' ' 27' ' ' ILE . . . -64.18 -20.98 66.38 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.897 0.379 . . . . 0.0 111.617 -177.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -89.16 -47.78 7.85 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.228 0.537 . . . . 0.0 109.803 -178.779 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.424 ' O ' ' HB2' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -165.27 167.88 17.51 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.333 -0.849 . . . . 0.0 109.855 -179.075 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.495 ' OG ' ' HB2' ' A' ' 3' ' ' LEU . 3.6 p -108.59 153.45 23.37 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.037 0.446 . . . . 0.0 111.339 -176.235 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 73.0 mt -120.8 136.93 56.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.266 177.469 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 46.1 m -102.28 121.51 42.42 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.934 0.397 . . . . 0.0 110.073 -175.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.558 HG21 HD23 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -114.17 145.71 19.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-O 121.148 0.499 . . . . 0.0 110.779 -176.208 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.436 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 50.6 t-80 -71.21 133.92 85.33 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.144 174.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 55' ' ' HIS . 24.0 Cg_exo -64.7 179.18 1.42 Allowed 'Trans proline' 0 CA--C 1.528 0.213 0 C-N-CA 122.562 2.175 . . . . 0.0 111.867 177.547 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 23.8 mp0 56.12 28.74 13.46 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 121.203 0.525 . . . . 0.0 110.357 -176.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.435 ' HB2' ' O ' ' A' ' 55' ' ' HIS . 64.1 t30 -113.36 127.75 26.46 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.053 -171.761 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.404 ' HD2' ' OD1' ' A' ' 58' ' ' ASN . 76.4 Cg_exo -52.37 -33.5 56.53 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 123.273 2.649 . . . . 0.0 113.361 178.7 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.4 m -55.76 -57.29 12.66 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-O 120.941 0.4 . . . . 0.0 111.0 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.558 HD23 HG21 ' A' ' 54' ' ' ILE . 0.1 OUTLIER -62.2 -36.79 82.99 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.972 178.009 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.533 ' HA ' ' CD2' ' A' ' 65' ' ' PHE . 19.6 m -61.36 -50.81 71.42 Favored 'General case' 0 C--O 1.245 0.863 0 CA-C-O 121.594 0.712 . . . . 0.0 110.875 -178.612 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -60.67 -36.56 79.04 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.364 -0.835 . . . . 0.0 109.874 176.645 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.502 ' HA ' ' HB2' ' A' ' 67' ' ' HIS . 10.5 t-105 -67.65 -30.28 69.79 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.053 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.547 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 15.3 m-85 -53.63 -52.09 61.01 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.043 0.449 . . . . 0.0 110.406 175.046 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.439 ' O ' ' HB3' ' A' ' 69' ' ' GLU . 8.4 mm-40 -79.15 -32.06 44.24 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.415 -0.514 . . . . 0.0 111.943 -179.369 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.502 ' HB2' ' HA ' ' A' ' 64' ' ' TRP . 7.6 m170 -67.39 -35.43 79.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.969 178.367 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.547 ' HG2' ' O ' ' A' ' 65' ' ' PHE . 9.3 pt20 -74.72 -27.09 60.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.216 0.531 . . . . 0.0 110.124 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.439 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 15.0 tp10 -59.35 -33.34 71.03 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.117 175.759 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -113.25 30.95 6.8 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.366 -177.646 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.707 ' HD3' ' HB3' ' A' ' 24' ' ' ARG . 12.6 ttmm -149.89 -150.13 0.33 Allowed 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 110.217 -0.29 . . . . 0.0 110.217 -176.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.531 HD12 ' O ' ' A' ' 26' ' ' VAL . 2.2 mm? 49.19 35.02 6.66 Favored 'General case' 0 N--CA 1.466 0.375 0 N-CA-C 112.878 0.696 . . . . 0.0 112.878 -176.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 86.2 t60 67.99 5.87 4.83 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 121.2 0.524 . . . . 0.0 110.934 175.611 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 80.4 43.14 9.64 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.945 -0.645 . . . . 0.0 111.788 -177.11 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.484 ' O ' ' HB2' ' A' ' 76' ' ' LEU . 37.8 p -98.53 -164.0 1.09 Allowed 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 174.845 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.484 ' HB2' ' O ' ' A' ' 75' ' ' THR . 96.8 mt 80.31 154.13 0.13 Allowed Pre-proline 0 C--N 1.323 -0.55 0 O-C-N 123.905 0.753 . . . . 0.0 111.877 171.288 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.495 ' HB2' ' CD2' ' A' ' 79' ' ' LEU . 72.4 Cg_endo -82.74 111.46 2.0 Allowed 'Trans proline' 0 N--CA 1.453 -0.856 0 C-N-CA 122.89 2.393 . . . . 0.0 111.187 174.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 63.3 mttm -76.44 92.29 3.38 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.584 0.706 . . . . 0.0 111.541 -174.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.495 ' CD2' ' HB2' ' A' ' 77' ' ' PRO . 0.8 OUTLIER -161.64 -162.53 0.88 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.758 -1.11 . . . . 0.0 108.875 179.733 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.781 ' HA ' ' HB2' ' A' ' 85' ' ' ARG . 0.7 OUTLIER -77.99 44.52 0.48 Allowed 'General case' 0 C--N 1.312 -1.034 0 CA-C-O 120.992 0.425 . . . . 0.0 110.607 174.158 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.447 ' HE2' ' NE2' ' A' ' 68' ' ' GLN . 34.8 p90 -67.5 -26.32 66.29 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.196 0.522 . . . . 0.0 111.245 -176.279 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -97.45 26.62 22.25 Favored Glycine 0 N--CA 1.448 -0.558 0 N-CA-C 111.09 -0.804 . . . . 0.0 111.09 174.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 68.4 mtm 68.41 -64.35 0.31 Allowed 'General case' 0 CA--C 1.522 -0.1 0 C-N-CA 124.229 1.012 . . . . 0.0 112.158 -178.393 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.531 HD11 ' CD2' ' A' ' 65' ' ' PHE . 1.0 OUTLIER -90.92 7.31 40.76 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 115.356 -0.838 . . . . 0.0 112.514 -174.168 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.781 ' HB2' ' HA ' ' A' ' 80' ' ' ASN . 14.8 mmm180 -60.68 140.31 57.53 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 111.667 0.247 . . . . 0.0 111.667 -176.034 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 27.5 mtpp 73.31 -22.25 0.24 Allowed 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.88 177.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.425 ' H ' ' C ' ' A' ' 85' ' ' ARG . 70.1 mtm -88.15 -25.05 23.16 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 172.08 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.123 0 CA-C-O 118.528 -1.151 . . . . 0.0 111.352 177.72 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 76.4 t80 . . . . . 0 N--CA 1.48 1.026 0 CA-C-O 120.955 0.407 . . . . 0.0 110.609 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.0 pp -92.0 138.82 31.22 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 172.111 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.411 ' HA ' ' HD3' ' A' ' 4' ' ' PRO . 0.3 OUTLIER -61.83 117.94 33.6 Favored Pre-proline 0 C--N 1.318 -0.772 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 176.705 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.663 ' HB2' ' HB ' ' A' ' 7' ' ' THR . 53.6 Cg_exo -52.18 129.73 32.4 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.983 2.455 . . . . 0.0 112.46 -175.676 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 4' ' ' PRO . 94.7 Cg_exo -46.17 112.52 0.46 Allowed 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 123.806 3.004 . . . . 0.0 113.442 -177.731 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.526 ' HA ' ' OE1' ' A' ' 30' ' ' GLU . 59.8 m 63.91 24.11 13.56 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 115.701 -0.681 . . . . 0.0 112.015 176.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.663 ' HB ' ' HB2' ' A' ' 4' ' ' PRO . 27.8 m -108.32 72.25 0.83 Allowed 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 169.154 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -79.48 94.83 5.65 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.79 -1.096 . . . . 0.0 111.76 -169.548 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 3.5 t -147.2 94.5 2.41 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 172.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.483 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 71.0 m -99.3 118.51 36.13 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.567 -171.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 18.1 p -84.99 2.97 40.67 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.172 173.29 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.483 ' O ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -151.55 167.94 26.48 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.983 -1.008 . . . . 0.0 109.807 -179.548 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.434 HD13 ' HB3' ' A' ' 55' ' ' HIS . 96.7 mt -135.48 152.16 51.09 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.622 0.249 . . . . 0.0 110.892 -177.519 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.427 ' CE2' ' HB2' ' A' ' 16' ' ' LYS . 72.1 t80 -89.26 -41.72 12.02 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 175.73 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 75.3 mtm180 74.85 -51.64 0.67 Allowed 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 115.226 -0.897 . . . . 0.0 112.858 173.538 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.427 ' HB2' ' CE2' ' A' ' 14' ' ' TYR . 47.9 mtmt -63.31 148.94 92.51 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-O 120.482 0.182 . . . . 0.0 111.182 -177.774 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.38 147.8 83.36 Favored 'Trans proline' 0 C--O 1.236 0.423 0 C-N-CA 122.904 2.403 . . . . 0.0 112.359 178.555 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.701 HD12 HD12 ' A' ' 45' ' ' LEU . 69.0 mt -95.62 161.26 14.12 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.11 -175.546 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.699 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 42.4 m -86.73 130.76 34.35 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.13 -178.815 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.421 ' HA ' HD12 ' A' ' 23' ' ' LEU . 14.7 t70 -56.8 -31.44 64.69 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.39 -176.811 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.0 mmtm -63.46 -40.94 98.47 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.908 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.699 ' HG ' ' O ' ' A' ' 19' ' ' SER . 4.5 pp -75.54 -29.94 59.57 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.405 -0.518 . . . . 0.0 109.943 174.689 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.717 ' HB3' ' CH2' ' A' ' 64' ' ' TRP . 73.3 mt -65.86 -42.83 89.91 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.921 -176.257 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 48.8 ptt85 -59.63 -17.51 34.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.803 0.335 . . . . 0.0 111.098 177.171 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.423 ' HE2' ' HA ' ' A' ' 22' ' ' LEU . 50.0 mtmt -97.63 2.3 49.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.976 0.417 . . . . 0.0 110.958 -179.122 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.875 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 17.8 t -71.23 145.06 12.84 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.773 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 173.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.432 HD13 ' HA ' ' A' ' 48' ' ' ALA . 37.1 pt -112.62 -28.81 2.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 C-N-CA 120.896 -0.321 . . . . 0.0 111.453 -178.417 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 74.8 mm-40 -149.4 153.03 36.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.124 0.487 . . . . 0.0 111.616 -177.096 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.7 p -106.68 132.69 53.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.262 -0.881 . . . . 0.0 108.744 170.293 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.526 ' OE1' ' HA ' ' A' ' 6' ' ' SER . 2.9 pt-20 -128.72 162.43 27.41 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.115 0.483 . . . . 0.0 111.289 -175.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 47.3 tp -134.05 117.78 17.03 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.288 -173.656 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.695 ' O ' ' HA ' ' A' ' 41' ' ' GLN . 60.1 tt0 -74.86 111.1 9.73 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 168.83 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -88.19 145.73 25.75 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 121.102 0.477 . . . . 0.0 111.599 -176.198 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -77.37 0.42 22.48 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.877 -174.548 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -156.44 -27.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 111.79 0.292 . . . . 0.0 111.79 179.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -83.1 12.25 50.84 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 120.699 -0.762 . . . . 0.0 113.633 -174.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -177.71 -56.62 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.232 0.539 . . . . 0.0 109.946 179.491 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.431 ' SG ' ' HG3' ' A' ' 32' ' ' GLN . 14.4 m -111.59 -166.88 1.12 Allowed 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 176.013 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -114.99 0.15 13.58 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.019 -0.673 . . . . 0.0 111.637 178.59 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -127.66 162.01 27.53 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 175.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.695 ' HA ' ' O ' ' A' ' 32' ' ' GLN . 35.9 tt0 -116.13 134.47 54.9 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.01 0.433 . . . . 0.0 111.811 -173.005 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.606 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -154.61 133.27 12.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.815 178.154 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -85.18 113.56 21.64 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.378 0.608 . . . . 0.0 109.711 174.213 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.5 HG13 ' O ' ' A' ' 52' ' ' ILE . 80.1 t -110.11 137.84 40.58 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.934 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.531 -172.242 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.701 HD12 HD12 ' A' ' 18' ' ' LEU . 82.5 mt -107.57 125.2 51.01 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.2 -177.262 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.441 ' HB2' ' CD ' ' A' ' 30' ' ' GLU . 11.3 t-160 -112.84 109.45 18.92 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.645 -0.707 . . . . 0.0 112.174 -168.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.875 ' HA ' ' HA ' ' A' ' 26' ' ' VAL . 5.5 mp -78.87 167.76 20.69 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 171.595 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.432 ' HA ' HD13 ' A' ' 27' ' ' ILE . . . -58.98 -17.6 26.4 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 112.041 0.386 . . . . 0.0 112.041 -177.495 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.404 ' HB2' ' HG3' ' A' ' 50' ' ' ARG . 3.3 mp0 -103.82 -51.28 3.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.807 0.337 . . . . 0.0 110.922 -178.639 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.404 ' HG3' ' HB2' ' A' ' 49' ' ' GLN . 0.0 OUTLIER -147.31 169.62 19.04 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.837 0.31 . . . . 0.0 111.837 -170.6 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.432 ' HB3' ' CG1' ' A' ' 44' ' ' VAL . 53.4 m -112.35 156.98 21.57 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.251 -179.236 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.5 ' O ' HG13 ' A' ' 44' ' ' VAL . 54.4 mt -123.41 143.81 35.19 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 177.149 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 59.2 m -101.73 121.9 42.92 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 121.348 0.594 . . . . 0.0 112.303 -171.041 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 15.0 mt -131.1 143.13 41.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.261 -0.881 . . . . 0.0 109.877 178.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.434 ' HB3' HD13 ' A' ' 13' ' ' LEU . 6.0 p80 -86.16 145.62 40.87 Favored Pre-proline 0 C--N 1.33 -0.255 0 C-N-CA 120.208 -0.597 . . . . 0.0 109.409 177.249 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.606 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 81.8 Cg_exo -43.03 -53.47 4.03 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 124.035 3.157 . . . . 0.0 114.863 -169.676 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -80.91 71.66 7.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.119 0.485 . . . . 0.0 110.918 -177.495 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.404 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 24.1 t-20 -133.43 131.23 21.37 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.402 -178.314 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 58' ' ' ASN . 50.3 Cg_exo -55.68 -35.03 92.37 Favored 'Trans proline' 0 CA--C 1.528 0.194 0 C-N-CA 123.198 2.599 . . . . 0.0 113.13 -178.37 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 10.8 t -73.29 -24.86 60.47 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.749 -0.205 . . . . 0.0 111.055 -175.45 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -79.84 -45.77 18.1 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 -177.312 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.17 -50.87 68.65 Favored 'General case' 0 C--O 1.247 0.965 0 CA-C-O 121.579 0.704 . . . . 0.0 111.175 -178.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.4 pp0? -60.34 -28.23 67.99 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.928 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.717 ' CH2' ' HB3' ' A' ' 23' ' ' LEU . 26.9 t-105 -73.18 -31.11 64.02 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-N 115.476 -0.783 . . . . 0.0 111.058 -179.321 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.445 ' CD1' ' HB2' ' A' ' 81' ' ' PHE . 14.4 m-85 -56.35 -44.84 80.48 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.487 176.315 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.411 ' O ' ' HB3' ' A' ' 69' ' ' GLU . 51.6 mt-10 -70.68 -40.21 73.06 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-O 121.425 0.631 . . . . 0.0 110.966 178.112 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 62.9 m170 -77.03 -34.96 57.25 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.903 -173.112 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.673 ' HB2' HD22 ' A' ' 72' ' ' LEU . 10.8 pt20 -69.05 -28.18 66.31 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 177.378 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.411 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 34.6 tt0 -61.24 -36.55 80.28 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.157 176.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -97.25 1.37 49.57 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.465 179.347 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.498 ' HD2' ' CH2' ' A' ' 64' ' ' TRP . 60.2 mttm -122.24 -149.72 0.43 Allowed 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 109.252 -0.648 . . . . 0.0 109.252 174.344 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.673 HD22 ' HB2' ' A' ' 68' ' ' GLN . 10.8 mp 51.35 29.55 5.23 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 175.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 7.5 t-80 72.49 -7.26 1.42 Allowed 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.103 0.478 . . . . 0.0 111.408 176.041 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 80.58 -14.4 24.28 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 121.236 -0.507 . . . . 0.0 112.763 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.4 p -85.27 86.36 7.38 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.471 0.653 . . . . 0.0 110.894 -179.321 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 77.6 mt -137.52 150.01 67.01 Favored Pre-proline 0 C--N 1.318 -0.787 0 CA-C-N 115.151 -0.931 . . . . 0.0 109.478 -175.588 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -86.66 160.21 9.24 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 122.949 2.432 . . . . 0.0 112.508 -178.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 24.2 ttpp -78.65 87.06 4.59 Favored 'General case' 0 N--CA 1.444 -0.759 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 176.102 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -91.25 21.43 4.41 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.242 0.544 . . . . 0.0 110.426 -179.748 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.674 ' O ' ' HG3' ' A' ' 83' ' ' MET . 75.0 m-20 64.71 30.75 12.35 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.816 -1.083 . . . . 0.0 110.458 178.584 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.445 ' HB2' ' CD1' ' A' ' 65' ' ' PHE . 44.2 p90 -69.16 -12.1 61.38 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.386 -176.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -59.8 -29.12 66.82 Favored Glycine 0 N--CA 1.45 -0.38 0 CA-C-N 116.116 -0.493 . . . . 0.0 112.793 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.674 ' HG3' ' O ' ' A' ' 80' ' ' ASN . 0.0 OUTLIER -73.32 -8.37 55.56 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 111.838 0.31 . . . . 0.0 111.838 -178.015 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.481 ' HA ' ' HA3' ' A' ' 88' ' ' GLY . 0.4 OUTLIER -123.39 -1.09 8.66 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.161 0.505 . . . . 0.0 109.975 178.91 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 85' ' ' ARG . 19.8 ttm180 -73.83 85.89 1.71 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.946 176.718 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? 67.32 1.04 2.31 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.394 0.616 . . . . 0.0 111.108 178.082 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 68.3 mtm -123.39 19.04 9.76 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.452 0.644 . . . . 0.0 109.877 -179.684 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.481 ' HA3' ' HA ' ' A' ' 84' ' ' LEU . . . . . . . . 0 C--O 1.252 1.275 0 CA-C-O 118.154 -1.359 . . . . 0.0 110.941 179.333 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 80.1 t80 . . . . . 0 N--CA 1.479 0.985 0 CA-C-O 120.85 0.357 . . . . 0.0 110.512 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 10.1 tt -63.35 113.63 3.35 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 176.348 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -67.74 117.89 52.37 Favored Pre-proline 0 N--CA 1.452 -0.349 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 175.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.514 ' HB2' ' HB ' ' A' ' 7' ' ' THR . 36.1 Cg_exo -61.72 130.44 31.4 Favored 'Trans proline' 0 N--CA 1.462 -0.349 0 C-N-CA 122.74 2.293 . . . . 0.0 111.839 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 4' ' ' PRO . 56.9 Cg_exo -52.95 126.55 21.77 Favored 'Trans proline' 0 C--O 1.234 0.293 0 C-N-CA 122.886 2.391 . . . . 0.0 112.443 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.1 m 66.16 28.22 10.2 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 121.235 0.541 . . . . 0.0 111.173 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.514 ' HB ' ' HB2' ' A' ' 4' ' ' PRO . 39.1 m -134.31 91.52 2.81 Favored 'General case' 0 N--CA 1.445 -0.676 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 172.83 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -108.01 107.98 18.9 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.17 -170.634 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -146.55 86.63 1.68 Allowed 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 170.539 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 8.7 t -112.13 148.89 33.02 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 114.917 -1.038 . . . . 0.0 111.178 -169.584 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 21.7 p -121.3 0.98 10.18 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.363 177.464 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.611 ' O ' ' HB2' ' A' ' 53' ' ' CYS . 8.6 mp0 -107.84 97.93 7.58 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 179.011 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.452 HD13 ' HB2' ' A' ' 55' ' ' HIS . 86.9 mt -94.8 112.55 24.27 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.054 0.454 . . . . 0.0 110.457 -177.137 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.554 ' CE2' ' HE2' ' A' ' 16' ' ' LYS . 31.2 t80 -63.59 -57.2 10.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.296 -0.866 . . . . 0.0 111.876 -172.354 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 71.0 mtm180 61.83 71.19 0.55 Allowed 'General case' 0 N--CA 1.468 0.451 0 O-C-N 123.458 0.474 . . . . 0.0 112.105 178.033 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.554 ' HE2' ' CE2' ' A' ' 14' ' ' TYR . 33.3 ttpt -176.02 143.54 0.66 Allowed Pre-proline 0 C--N 1.327 -0.386 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 177.155 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.93 ' HA ' ' HB2' ' A' ' 60' ' ' SER . 49.5 Cg_exo -57.01 122.46 11.86 Favored 'Trans proline' 0 C--O 1.233 0.268 0 C-N-CA 122.34 2.027 . . . . 0.0 112.069 174.118 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.417 HD11 HG21 ' A' ' 52' ' ' ILE . 80.9 mt -83.96 157.04 22.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.579 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.646 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 13.6 m -74.41 131.56 41.19 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.315 178.745 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.491 ' HA ' HD12 ' A' ' 23' ' ' LEU . 18.8 t70 -59.28 -29.24 67.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.134 0.492 . . . . 0.0 110.494 -178.35 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.472 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 13.1 mmmm -57.03 -47.64 80.42 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.379 177.585 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.646 ' HG ' ' O ' ' A' ' 19' ' ' SER . 4.3 pp -75.16 -31.21 60.95 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.162 177.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.575 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 71.9 mt -60.85 -40.77 94.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.706 -177.375 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.502 ' HB3' ' HD3' ' A' ' 71' ' ' LYS . 28.2 ptt180 -64.58 2.31 0.67 Allowed 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -178.598 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.531 ' HB2' HD23 ' A' ' 47' ' ' LEU . 48.7 mtmt -113.63 -0.75 14.22 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.044 178.593 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.621 ' HA ' ' HG ' ' A' ' 47' ' ' LEU . 41.4 t -72.41 105.74 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 179.781 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 35.7 pt -74.11 -32.09 31.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.989 -168.62 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 23.6 mm-40 -150.46 155.33 39.32 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.763 0.316 . . . . 0.0 110.563 178.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 87.1 t -115.42 134.26 59.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.598 176.377 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.414 ' HG2' ' O ' ' A' ' 44' ' ' VAL . 4.7 pt-20 -130.52 141.3 50.49 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.274 0.559 . . . . 0.0 111.436 -175.446 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 44.0 tp -104.48 113.12 26.49 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.886 178.571 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.428 ' O ' ' HA ' ' A' ' 41' ' ' GLN . 52.9 tt0 -79.9 107.83 12.99 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.231 174.491 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -79.29 141.13 37.3 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.079 -176.264 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.679 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . . . -83.2 15.62 2.81 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.583 -0.735 . . . . 0.0 112.194 -174.778 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -157.67 -49.85 0.07 Allowed 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.788 -0.365 . . . . 0.0 111.555 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -62.23 -32.76 83.76 Favored Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.929 -0.653 . . . . 0.0 112.961 -178.712 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -117.29 -65.7 1.16 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.852 0.358 . . . . 0.0 110.244 -178.297 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 35.2 m -113.54 -170.05 1.62 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.322 -176.576 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 7.1 p80 -96.68 -6.16 37.15 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 121.006 -0.278 . . . . 0.0 111.288 178.489 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.0 pp -135.32 153.86 51.72 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 -178.6 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.679 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 59.5 tt0 -98.8 138.07 36.48 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 123.433 0.458 . . . . 0.0 110.588 -176.45 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.513 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -151.96 143.59 23.56 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.099 0.476 . . . . 0.0 111.02 178.678 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.543 ' O ' ' HB ' ' A' ' 54' ' ' ILE . 62.3 m-85 -102.25 100.63 10.84 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 172.197 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.414 ' O ' ' HG2' ' A' ' 30' ' ' GLU . 24.1 t -101.25 125.38 55.23 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.996 0 CA-C-O 121.265 0.555 . . . . 0.0 110.496 -172.83 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 73.1 mt -95.25 115.24 27.16 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.421 -179.066 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -101.95 112.13 24.65 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.177 -169.159 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.621 ' HG ' ' HA ' ' A' ' 26' ' ' VAL . 5.6 mp -100.56 166.36 10.95 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 174.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.38 -11.88 60.37 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.061 0.458 . . . . 0.0 110.926 -176.174 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.41 -23.75 10.14 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.808 -178.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 50' ' ' ARG . 9.9 ptm180 -163.07 171.25 16.71 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.746 -166.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 17.0 m -141.67 128.18 20.13 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.925 0.393 . . . . 0.0 110.456 178.196 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.417 HG21 HD11 ' A' ' 18' ' ' LEU . 4.3 mp -106.35 131.81 55.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 177.115 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.611 ' HB2' ' O ' ' A' ' 12' ' ' GLN . 22.4 m -102.0 120.85 41.08 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.275 0.56 . . . . 0.0 109.908 -177.736 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.547 HG21 ' HB2' ' A' ' 61' ' ' LEU . 1.8 mt -106.69 128.85 61.04 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.968 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.108 -177.321 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.452 ' HB2' HD13 ' A' ' 13' ' ' LEU . 25.0 t-80 -68.38 130.47 92.21 Favored Pre-proline 0 C--N 1.323 -0.583 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 170.284 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.513 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 72.4 Cg_exo -49.56 148.64 11.17 Favored 'Trans proline' 0 N--CA 1.467 -0.082 0 C-N-CA 122.285 1.99 . . . . 0.0 111.82 177.227 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.474 ' HB2' ' O ' ' A' ' 56' ' ' PRO . 47.5 mt-30 78.46 20.3 0.88 Allowed 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.168 0.587 . . . . 0.0 110.369 -175.751 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -94.58 122.53 60.67 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.364 174.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_exo -50.48 -38.72 54.49 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 123.342 2.695 . . . . 0.0 113.096 -175.312 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.93 ' HB2' ' HA ' ' A' ' 17' ' ' PRO . 12.3 t -62.93 -23.88 67.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.634 -176.008 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.547 ' HB2' HG21 ' A' ' 54' ' ' ILE . 0.6 OUTLIER -80.04 -46.73 16.06 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 -179.056 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.0 t -59.24 -49.78 76.53 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.462 177.115 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -59.66 -36.37 76.29 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.701 177.258 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.575 ' CZ3' ' HB3' ' A' ' 23' ' ' LEU . 15.7 t-105 -66.78 -40.36 88.14 Favored 'General case' 0 C--O 1.223 -0.332 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.336 -178.462 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.5 ' CE2' ' HB3' ' A' ' 81' ' ' PHE . 2.2 m-85 -58.92 -35.23 72.72 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 120.608 -0.437 . . . . 0.0 111.077 179.638 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -79.53 -41.61 26.93 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.088 0.471 . . . . 0.0 110.576 176.16 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.548 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 8.5 m170 -61.56 -46.98 87.6 Favored 'General case' 0 C--O 1.223 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.26 179.718 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.417 ' HG2' ' O ' ' A' ' 64' ' ' TRP . 3.6 pt20 -67.02 -26.24 66.68 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-O 120.585 0.231 . . . . 0.0 110.591 -178.776 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -60.1 -33.49 72.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.45 0.643 . . . . 0.0 109.682 176.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 70' ' ' ARG . 19.5 ptt-85 -114.55 32.25 6.09 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.925 177.249 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.548 ' HB2' ' O ' ' A' ' 67' ' ' HIS . 9.1 ttmm -146.12 -166.65 2.52 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 -178.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.1 mp 56.22 -85.02 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 112.651 0.612 . . . . 0.0 112.651 -175.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 31.6 t60 -173.01 -29.27 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.56 -171.667 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 112.68 -8.7 25.95 Favored Glycine 0 N--CA 1.45 -0.397 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 -175.203 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.4 p -79.45 106.51 11.53 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.141 0.496 . . . . 0.0 110.794 178.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 79.4 mt -133.09 155.98 80.47 Favored Pre-proline 0 C--N 1.319 -0.724 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.013 -175.286 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_endo -87.2 -160.42 0.11 Allowed 'Trans proline' 0 N--CA 1.456 -0.712 0 C-N-CA 122.826 2.35 . . . . 0.0 112.071 -178.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -78.08 82.45 4.41 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.199 0.523 . . . . 0.0 109.627 176.486 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 89.7 mt -85.87 115.89 23.78 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.002 -178.104 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.484 ' O ' ' HG3' ' A' ' 83' ' ' MET . 16.0 p-10 -83.25 55.55 3.19 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 114.943 -1.026 . . . . 0.0 109.89 176.315 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.5 ' HB3' ' CE2' ' A' ' 65' ' ' PHE . 12.8 p90 -76.07 4.14 9.06 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.98 -0.555 . . . . 0.0 112.023 -176.45 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -71.69 -11.41 73.06 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.887 -0.673 . . . . 0.0 111.512 177.712 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.484 ' HG3' ' O ' ' A' ' 80' ' ' ASN . 0.0 OUTLIER -107.24 2.39 24.63 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.756 0.312 . . . . 0.0 110.898 176.638 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.0 tp -124.2 -51.57 1.76 Allowed 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 -175.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.475 ' HG3' ' HB2' ' A' ' 81' ' ' PHE . 95.1 mtt180 -67.85 119.24 12.21 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-O 120.846 0.355 . . . . 0.0 111.167 -172.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt 68.57 11.76 8.46 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.078 -0.964 . . . . 0.0 110.097 -178.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 46.5 tpp -100.3 -30.34 11.93 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.773 -1.103 . . . . 0.0 108.628 174.301 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.946 0 CA-C-N 114.551 -1.204 . . . . 0.0 110.522 177.096 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 50.3 p90 . . . . . 0 N--CA 1.477 0.898 0 CA-C-O 121.328 0.585 . . . . 0.0 110.385 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.62 ' O ' ' HD3' ' A' ' 4' ' ' PRO . 50.3 tp -152.92 138.53 17.8 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.271 -0.877 . . . . 0.0 108.644 175.283 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -83.25 107.61 10.31 Favored Pre-proline 0 N--CA 1.444 -0.769 0 CA-C-O 121.03 0.443 . . . . 0.0 110.543 175.082 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.62 ' HD3' ' O ' ' A' ' 2' ' ' LEU . 22.4 Cg_exo -66.9 143.11 65.18 Favored 'Trans proline' 0 C--O 1.235 0.325 0 C-N-CA 123.064 2.509 . . . . 0.0 112.236 178.756 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.547 ' HG3' ' HE1' ' A' ' 46' ' ' HIS . 58.0 Cg_exo -51.74 125.92 18.32 Favored 'Trans proline' 0 C--O 1.237 0.44 0 C-N-CA 123.094 2.529 . . . . 0.0 112.657 178.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.3 t 69.9 4.9 4.99 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.532 176.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.414 ' OG1' ' HB2' ' A' ' 4' ' ' PRO . 3.9 m -103.12 68.0 0.96 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.566 0.698 . . . . 0.0 109.304 177.549 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -81.19 87.23 6.1 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.416 -0.811 . . . . 0.0 112.312 -171.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.543 ' HA ' ' OE1' ' A' ' 32' ' ' GLN . 42.6 t -140.63 80.82 1.77 Allowed 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 169.372 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.451 ' SG ' ' NE2' ' A' ' 12' ' ' GLN . 8.1 t -110.83 130.84 55.46 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.108 -172.723 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 33.7 p -91.8 -59.33 2.15 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.703 -175.569 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.451 ' NE2' ' SG ' ' A' ' 10' ' ' CYS . 0.2 OUTLIER -80.24 161.6 25.07 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.045 0.45 . . . . 0.0 111.398 178.66 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 96.7 mt -132.45 138.91 47.79 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.266 -178.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.518 ' CE2' ' HB2' ' A' ' 16' ' ' LYS . 30.9 t80 -75.93 -49.89 16.51 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.2 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 50.3 mtt180 72.1 -24.93 0.18 Allowed 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 172.312 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.518 ' HB2' ' CE2' ' A' ' 14' ' ' TYR . 34.2 mmtp -71.32 149.9 94.11 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-O 120.897 0.379 . . . . 0.0 111.461 -178.383 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.521 ' HA ' ' OG ' ' A' ' 60' ' ' SER . 20.7 Cg_exo -66.98 122.66 10.02 Favored 'Trans proline' 0 C--O 1.234 0.292 0 C-N-CA 123.162 2.575 . . . . 0.0 112.274 178.527 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.917 ' HB3' HD11 ' A' ' 22' ' ' LEU . 85.6 mt -86.5 136.77 32.96 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.047 178.009 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.688 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 23.3 m -72.13 146.6 47.36 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.05 -178.729 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.525 ' HA ' HD12 ' A' ' 23' ' ' LEU . 34.9 t70 -59.35 -29.06 67.4 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 121.297 0.57 . . . . 0.0 111.113 -177.76 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.573 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 60.4 mttm -57.31 -45.87 83.75 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.584 179.27 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.917 HD11 ' HB3' ' A' ' 18' ' ' LEU . 4.1 pp -76.82 -27.48 55.19 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 121.036 -0.266 . . . . 0.0 111.235 174.255 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.676 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 74.6 mt -62.77 -38.63 91.39 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.781 -0.19 . . . . 0.0 111.49 -176.571 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.573 ' HG2' ' O ' ' A' ' 21' ' ' LYS . 24.4 ptt180 -59.86 -5.85 1.09 Allowed 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 120.87 0.367 . . . . 0.0 111.8 178.352 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.562 ' HD3' ' HA ' ' A' ' 22' ' ' LEU . 22.4 mtpp -106.65 -8.29 16.98 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.75 -178.333 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.864 HG22 ' HG ' ' A' ' 47' ' ' LEU . 21.4 t -80.82 86.15 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.952 179.405 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 22.4 pt -70.24 -22.83 24.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.63 -0.714 . . . . 0.0 112.868 -172.447 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -142.02 157.43 44.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.025 0.441 . . . . 0.0 111.348 -176.416 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 57.4 t -120.5 122.75 68.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.586 176.3 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.423 ' HG3' ' HB2' ' A' ' 46' ' ' HIS . 5.9 mt-10 -109.28 149.86 28.82 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 -175.567 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 55.1 tp -130.06 120.34 24.53 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-O 120.928 0.394 . . . . 0.0 110.711 179.534 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.543 ' OE1' ' HA ' ' A' ' 9' ' ' CYS . 8.8 tt0 -84.51 105.45 15.33 Favored 'General case' 0 N--CA 1.445 -0.71 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 170.59 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -61.41 151.76 31.56 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.836 178.319 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.525 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . . . -74.16 18.7 0.14 Allowed 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 113.11 0.782 . . . . 0.0 113.11 -169.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -177.93 -34.74 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.476 0.179 . . . . 0.0 110.773 -175.154 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -46.62 -67.79 1.3 Allowed Glycine 0 C--N 1.336 0.548 0 O-C-N 123.98 0.8 . . . . 0.0 114.34 -175.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -88.2 -51.71 5.62 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 69.6 m -142.55 155.62 45.03 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.599 -1.182 . . . . 0.0 108.707 175.181 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 6.6 p-80 -79.77 77.55 6.4 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.233 0.54 . . . . 0.0 111.526 -178.515 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.9 tt -168.89 125.52 0.96 Allowed 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 176.366 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.525 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 59.0 tt0 -91.58 117.14 29.46 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.684 0.278 . . . . 0.0 110.348 -178.777 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.568 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -146.33 132.72 19.62 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.902 0.382 . . . . 0.0 111.536 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.775 ' HB3' ' HG ' ' A' ' 61' ' ' LEU . 2.2 m-85 -91.58 113.6 25.91 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 172.812 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 62.0 t -108.77 130.18 62.04 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.94 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.656 -171.465 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.631 HD12 HD12 ' A' ' 18' ' ' LEU . 24.1 mt -92.31 118.34 30.81 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.169 0.509 . . . . 0.0 110.867 -178.612 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.547 ' HE1' ' HG3' ' A' ' 5' ' ' PRO . 61.5 t60 -96.67 97.82 9.67 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.512 -176.832 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.864 ' HG ' HG22 ' A' ' 26' ' ' VAL . 5.7 mp -80.47 162.14 24.54 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 174.318 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.56 -9.18 12.04 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -179.677 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.405 ' HB2' ' HD2' ' A' ' 50' ' ' ARG . 0.2 OUTLIER -107.72 -48.83 3.34 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.705 -0.479 . . . . 0.0 109.705 179.076 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.405 ' HD2' ' HB2' ' A' ' 49' ' ' GLN . 0.0 OUTLIER -153.25 169.53 22.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.022 -173.332 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 56.2 m -108.04 141.73 39.27 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.586 175.716 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 63.9 mt -118.57 140.55 41.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 176.669 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 63.0 m -100.52 125.14 46.83 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.535 0.683 . . . . 0.0 110.895 -172.239 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.635 HD13 ' HB2' ' A' ' 60' ' ' SER . 33.3 mt -127.24 147.26 32.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 114.964 -1.016 . . . . 0.0 110.919 -173.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.461 ' O ' ' HB2' ' A' ' 58' ' ' ASN . 31.9 t-80 -60.36 137.06 91.96 Favored Pre-proline 0 C--N 1.327 -0.374 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 174.312 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.568 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 4.1 Cg_endo -48.04 -62.06 0.5 Allowed 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.593 2.195 . . . . 0.0 112.184 179.221 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 25.6 mp0 -84.02 79.95 9.33 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 172.513 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.461 ' HB2' ' O ' ' A' ' 55' ' ' HIS . 3.1 t30 -134.63 137.28 27.23 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.656 177.661 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -46.61 -44.14 21.81 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 123.236 2.624 . . . . 0.0 112.944 -178.497 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.635 ' HB2' HD13 ' A' ' 54' ' ' ILE . 1.0 OUTLIER -56.13 -46.16 79.28 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.81 -178.834 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.775 ' HG ' ' HB3' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -77.61 -41.28 39.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.741 -172.703 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 9.4 t -72.47 -43.02 64.3 Favored 'General case' 0 C--O 1.239 0.536 0 CA-C-O 120.97 0.415 . . . . 0.0 111.13 -175.646 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -63.97 -28.29 69.72 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 175.367 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.676 ' CZ3' ' HB3' ' A' ' 23' ' ' LEU . 10.3 t-105 -61.31 -39.22 89.69 Favored 'General case' 0 C--O 1.218 -0.568 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.345 176.355 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.828 ' HB3' ' HG2' ' A' ' 85' ' ' ARG . 25.4 m-85 -56.09 -40.08 73.1 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 121.117 -0.233 . . . . 0.0 110.682 176.296 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.483 ' HB3' HH21 ' A' ' 70' ' ' ARG . 44.9 mt-10 -65.55 -50.79 63.88 Favored 'General case' 0 C--O 1.24 0.557 0 CA-C-O 121.894 0.854 . . . . 0.0 110.223 174.362 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.631 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 11.5 m-70 -65.93 -50.23 65.16 Favored 'General case' 0 C--O 1.219 -0.503 0 CA-C-N 114.817 -1.083 . . . . 0.0 111.509 -173.284 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.505 ' HB3' ' CE2' ' A' ' 64' ' ' TRP . 3.9 pt20 -61.62 -32.59 72.73 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 120.899 0.381 . . . . 0.0 110.789 -177.471 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -55.5 -37.24 67.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.6 177.157 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.483 HH21 ' HB3' ' A' ' 66' ' ' GLU . 1.1 ptt180 -114.53 30.83 7.04 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.329 -0.851 . . . . 0.0 111.261 178.399 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.631 ' HB2' ' O ' ' A' ' 67' ' ' HIS . 5.8 tppt? -136.99 -157.55 0.79 Allowed 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 -176.68 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.563 HD23 HD13 ' A' ' 76' ' ' LEU . 1.8 mm? 49.53 29.56 3.02 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 114.116 1.154 . . . . 0.0 114.116 -176.652 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 79.1 t60 64.74 15.11 9.59 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 121.245 0.545 . . . . 0.0 110.693 174.517 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 90.48 -3.45 81.76 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.748 179.487 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 16.9 p -102.65 115.85 31.41 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 177.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.693 HD12 ' HD2' ' A' ' 77' ' ' PRO . 20.6 tp -154.08 141.02 13.25 Favored Pre-proline 0 N--CA 1.443 -0.782 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 -171.81 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.693 ' HD2' HD12 ' A' ' 76' ' ' LEU . 85.3 Cg_endo -70.97 152.94 63.51 Favored 'Trans proline' 0 C--N 1.332 -0.322 0 C-N-CA 123.195 2.597 . . . . 0.0 112.191 179.06 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp -84.28 89.55 7.37 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.338 0.589 . . . . 0.0 110.542 177.517 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.528 ' HB3' ' HD2' ' A' ' 81' ' ' PHE . 95.3 mt -93.54 124.71 37.72 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.028 177.63 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -74.14 11.03 1.01 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 122.026 0.917 . . . . 0.0 110.639 175.599 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.528 ' HD2' ' HB3' ' A' ' 79' ' ' LEU . 74.6 m-85 -89.99 8.6 31.64 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 114.47 -1.241 . . . . 0.0 109.885 179.357 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -58.82 -11.67 11.79 Favored Glycine 0 C--N 1.336 0.532 0 CA-C-N 115.925 -0.58 . . . . 0.0 112.774 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.552 ' O ' ' HB2' ' A' ' 87' ' ' MET . 0.0 OUTLIER -69.11 -6.23 27.14 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.699 0.285 . . . . 0.0 111.345 175.738 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.498 ' HB3' ' CE2' ' A' ' 65' ' ' PHE . 2.2 tp -99.15 7.55 45.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.518 0.199 . . . . 0.0 110.98 -179.286 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.828 ' HG2' ' HB3' ' A' ' 65' ' ' PHE . 85.4 mtm180 -72.17 74.08 0.95 Allowed 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.634 0.254 . . . . 0.0 110.46 177.837 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt 64.34 6.22 2.94 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.214 -176.497 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.552 ' HB2' ' O ' ' A' ' 83' ' ' MET . 39.2 mtt -103.12 -4.61 24.25 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.242 0.544 . . . . 0.0 109.711 -178.474 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.838 0 CA-C-O 118.71 -1.05 . . . . 0.0 111.67 -177.101 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 16.7 p90 . . . . . 0 N--CA 1.48 1.038 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.481 ' O ' ' HD3' ' A' ' 4' ' ' PRO . 39.8 tp -154.45 138.72 16.63 Favored 'General case' 0 C--N 1.313 -0.991 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 178.846 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.435 HD13 ' HA ' ' A' ' 3' ' ' LEU . 4.1 mm? -75.59 111.58 15.07 Favored Pre-proline 0 C--N 1.32 -0.692 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 174.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 1.045 ' HB2' ' HB ' ' A' ' 7' ' ' THR . 54.0 Cg_exo -52.76 136.2 58.38 Favored 'Trans proline' 0 N--CA 1.463 -0.299 0 C-N-CA 122.79 2.326 . . . . 0.0 112.202 -178.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.5 ' HG3' ' HE1' ' A' ' 46' ' ' HIS . 51.7 Cg_exo -53.84 119.72 6.72 Favored 'Trans proline' 0 C--O 1.234 0.292 0 C-N-CA 123.11 2.54 . . . . 0.0 112.147 -178.128 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.9 m 66.08 12.16 8.29 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.123 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' THR . . . . . 1.045 ' HB ' ' HB2' ' A' ' 4' ' ' PRO . 5.9 m -128.58 26.2 5.65 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 122.569 1.176 . . . . 0.0 108.514 177.636 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.433 ' HA ' HD12 ' A' ' 3' ' ' LEU . . . -85.7 85.99 7.38 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 114.195 -1.366 . . . . 0.0 111.177 -174.095 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 44.4 m -87.03 83.66 7.45 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 169.652 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 59.9 m -72.52 116.16 12.66 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.21 -174.186 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.2 p -93.62 -2.38 54.15 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-O 121.633 0.73 . . . . 0.0 109.932 173.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.65 157.21 47.23 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.972 -1.013 . . . . 0.0 110.103 177.832 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.463 HD13 ' HB2' ' A' ' 55' ' ' HIS . 96.0 mt -134.67 127.45 31.12 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 -178.172 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.415 ' CD2' ' HB3' ' A' ' 16' ' ' LYS . 10.2 t80 -69.38 -48.8 60.09 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 -178.248 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.54 ' HA ' ' OD1' ' A' ' 58' ' ' ASN . 68.0 mtm180 59.87 17.39 6.47 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.573 174.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.415 ' HB3' ' CD2' ' A' ' 14' ' ' TYR . 48.8 tttm -122.77 136.24 26.56 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.931 -174.723 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -53.13 127.46 25.16 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.906 2.404 . . . . 0.0 112.319 179.015 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.87 ' HB3' HD11 ' A' ' 22' ' ' LEU . 78.2 mt -85.07 139.85 31.43 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.486 -178.102 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.69 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 15.2 m -63.18 139.92 58.82 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.661 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.534 ' HA ' HD12 ' A' ' 23' ' ' LEU . 12.0 t70 -66.16 -26.72 67.56 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.797 0.332 . . . . 0.0 111.445 -175.099 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.609 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 98.3 mttt -57.84 -47.88 81.39 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.823 176.196 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.87 HD11 ' HB3' ' A' ' 18' ' ' LEU . 4.5 pp -72.96 -27.65 61.94 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.568 -0.453 . . . . 0.0 109.97 176.562 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.534 HD12 ' HA ' ' A' ' 20' ' ' ASP . 21.7 mt -60.04 -40.72 90.38 Favored 'General case' 0 C--O 1.225 -0.234 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.869 179.34 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.628 ' HB3' ' HD2' ' A' ' 71' ' ' LYS . 16.3 ptp180 -71.01 4.64 2.51 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 122.079 -0.388 . . . . 0.0 111.495 -179.29 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.406 ' HB3' HE22 ' A' ' 49' ' ' GLN . 51.5 mtmt -119.46 8.06 11.28 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.949 175.73 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.851 HG22 ' HG ' ' A' ' 47' ' ' LEU . 25.2 t -85.17 101.63 9.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 109.157 -0.682 . . . . 0.0 109.157 177.016 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 39.0 pt -81.59 -25.97 9.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -170.556 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 25.1 mm-40 -147.55 157.38 43.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.008 0.432 . . . . 0.0 111.121 -177.423 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.46 HG13 HD23 ' A' ' 45' ' ' LEU . 35.6 t -118.84 126.06 74.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 174.702 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.644 ' HG3' ' HB ' ' A' ' 44' ' ' VAL . 13.8 pt-20 -120.3 147.8 44.53 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.191 0.519 . . . . 0.0 110.524 -177.746 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 52.0 tp -114.86 128.79 56.5 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.442 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.517 ' O ' ' HA ' ' A' ' 41' ' ' GLN . 6.2 tt0 -87.01 103.58 15.49 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 107.547 -1.279 . . . . 0.0 107.547 170.373 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.515 ' HB2' ' H ' ' A' ' 37' ' ' ASP . 42.5 mt-10 -61.17 152.33 28.96 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 179.787 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.647 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . . . -69.27 1.82 3.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.235 -173.314 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -168.33 -36.0 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.684 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -56.24 -54.69 33.9 Favored Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 115.389 -0.823 . . . . 0.0 113.278 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.515 ' H ' ' HB2' ' A' ' 33' ' ' GLU . 19.7 m-20 -86.16 -45.93 10.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.989 0.424 . . . . 0.0 110.595 179.392 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.49 ' HB3' ' OE1' ' A' ' 32' ' ' GLN . 2.6 t -156.99 -176.03 5.75 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 -179.419 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 61.7 t60 -81.88 10.08 7.01 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.028 0.442 . . . . 0.0 111.34 -175.651 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.7 tt -136.39 136.61 39.75 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 -175.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.647 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 30.1 tt0 -93.29 120.44 33.58 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.351 176.361 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.556 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -148.11 140.38 24.26 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.081 -179.399 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -91.23 113.64 25.96 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 172.761 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.644 ' HB ' ' HG3' ' A' ' 30' ' ' GLU . 66.1 t -108.37 125.16 65.15 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.862 0 CA-C-O 121.141 0.496 . . . . 0.0 110.608 -173.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.729 HD12 HD12 ' A' ' 18' ' ' LEU . 61.9 mt -92.56 121.96 34.51 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.868 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.5 ' HE1' ' HG3' ' A' ' 5' ' ' PRO . 10.7 t60 -103.06 101.86 11.86 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.342 -171.825 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.851 ' HG ' HG22 ' A' ' 26' ' ' VAL . 5.6 mp -83.09 165.21 19.75 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 174.777 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.78 -10.2 59.43 Favored 'General case' 0 C--N 1.318 -0.773 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.953 -179.31 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.406 HE22 ' HB3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -126.48 -6.19 6.43 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.646 179.138 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.53 ' HD2' HD22 ' A' ' 47' ' ' LEU . 50.1 mtt180 -145.41 161.42 39.72 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 -168.181 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 12.8 m -137.17 123.24 20.33 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 168.181 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 67.5 mt -120.28 136.71 56.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 120.564 0.221 . . . . 0.0 110.447 -175.034 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 64.5 m -100.29 120.39 39.85 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.594 0.711 . . . . 0.0 110.427 -174.255 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.464 HG23 ' HB2' ' A' ' 58' ' ' ASN . 1.0 OUTLIER -120.34 141.92 38.47 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.742 -176.839 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.504 ' O ' ' HB2' ' A' ' 58' ' ' ASN . 84.8 t60 -76.95 130.1 76.74 Favored Pre-proline 0 C--N 1.325 -0.473 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 176.502 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.556 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 45.7 Cg_exo -36.93 -48.13 1.48 Allowed 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 123.778 2.985 . . . . 0.0 114.328 -176.184 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 26.1 mm-40 -80.62 53.4 1.86 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.475 0.655 . . . . 0.0 111.169 178.277 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.54 ' OD1' ' HA ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -112.36 112.28 51.98 Favored Pre-proline 0 C--N 1.319 -0.76 0 CA-C-N 115.304 -0.862 . . . . 0.0 108.952 174.744 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -54.29 -24.77 35.79 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.43 2.087 . . . . 0.0 110.807 175.564 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.9 m -53.42 -41.62 66.21 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.043 -0.98 . . . . 0.0 111.503 173.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.453 HD23 HG21 ' A' ' 54' ' ' ILE . 0.2 OUTLIER -73.38 -40.75 64.1 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-O 121.044 0.45 . . . . 0.0 109.934 -177.246 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.9 t -69.16 -42.3 76.11 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.743 0.782 . . . . 0.0 109.666 -179.338 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -63.05 -29.04 70.5 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.732 -1.122 . . . . 0.0 110.113 177.663 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.507 ' CE2' ' HB3' ' A' ' 68' ' ' GLN . 16.6 t-105 -69.88 -38.01 76.24 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.36 176.631 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.433 ' CE2' HD13 ' A' ' 84' ' ' LEU . 23.8 m-85 -54.78 -38.37 67.18 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.97 0.414 . . . . 0.0 110.438 175.673 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -69.43 -51.71 33.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.567 0.699 . . . . 0.0 110.518 175.073 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.731 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 10.4 m170 -69.48 -30.49 68.37 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.596 -0.729 . . . . 0.0 112.316 -172.749 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.507 ' HB3' ' CE2' ' A' ' 64' ' ' TRP . 13.2 pt20 -73.84 -30.24 62.57 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 117.99 0.359 . . . . 0.0 110.13 177.619 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -60.08 -31.4 69.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.584 176.542 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 10.6 ptp180 -112.22 32.66 5.38 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.654 178.181 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.731 ' HB2' ' O ' ' A' ' 67' ' ' HIS . 0.2 OUTLIER -130.61 -149.98 0.41 Allowed 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.904 -176.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.792 HD13 ' H ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -28.1 95.97 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.64 0 O-C-N 124.728 1.268 . . . . 0.0 114.356 -176.084 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 15.5 m-70 71.95 -46.45 0.64 Allowed 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 114.848 -1.069 . . . . 0.0 112.926 173.498 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 107.0 -11.57 40.91 Favored Glycine 0 N--CA 1.449 -0.439 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 -175.149 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.1 p -85.04 145.87 27.46 Favored 'General case' 0 N--CA 1.441 -0.878 0 CA-C-O 120.854 0.359 . . . . 0.0 110.509 178.245 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 76' ' ' LEU . 54.4 mt -138.56 156.26 73.26 Favored Pre-proline 0 C--N 1.314 -0.941 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.754 -175.412 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -88.45 -174.58 1.11 Allowed 'Trans proline' 0 N--CA 1.454 -0.799 0 C-N-CA 122.878 2.385 . . . . 0.0 112.783 -175.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 29.9 mtmm -82.75 64.38 7.35 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.322 -176.544 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.472 HD21 ' HB3' ' A' ' 81' ' ' PHE . 2.1 pt? -110.28 15.14 22.5 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.082 0.468 . . . . 0.0 110.711 -179.43 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.669 ' O ' ' HG2' ' A' ' 83' ' ' MET . 56.8 m-80 49.52 49.73 19.4 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.781 -1.1 . . . . 0.0 110.853 -178.357 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.472 ' HB3' HD21 ' A' ' 79' ' ' LEU . 45.4 p90 -64.79 -15.07 61.19 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -172.49 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.493 ' HA2' ' NE ' ' A' ' 85' ' ' ARG . . . -57.82 -38.71 89.6 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 121.1 -0.572 . . . . 0.0 112.678 177.574 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.669 ' HG2' ' O ' ' A' ' 80' ' ' ASN . 27.0 ptt? -69.61 -15.63 63.24 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 121.052 0.453 . . . . 0.0 111.209 -178.719 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.433 HD13 ' CE2' ' A' ' 65' ' ' PHE . 1.9 mt -126.47 25.54 6.51 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.927 -173.016 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.493 ' NE ' ' HA2' ' A' ' 82' ' ' GLY . 95.2 mtt180 -74.67 74.0 2.03 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 175.454 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.43 ' HD2' ' HA ' ' A' ' 86' ' ' LYS . 17.6 tptm 62.65 18.54 10.65 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.441 -177.175 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 25.3 mmt -80.29 -19.24 47.12 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.423 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.261 0 CA-C-O 118.941 -0.922 . . . . 0.0 111.67 -178.172 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 67.7 t80 . . . . . 0 N--CA 1.48 1.074 0 CA-C-O 121.2 0.524 . . . . 0.0 110.135 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -141.74 144.79 34.19 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.24 179.306 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.538 ' HG ' ' SG ' ' A' ' 10' ' ' CYS . 3.9 mm? -63.78 119.01 50.76 Favored Pre-proline 0 C--N 1.32 -0.712 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.522 176.765 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.487 ' HB2' ' HB ' ' A' ' 7' ' ' THR . 51.0 Cg_exo -52.16 143.28 42.51 Favored 'Trans proline' 0 C--O 1.234 0.323 0 C-N-CA 123.212 2.608 . . . . 0.0 112.154 178.481 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 4' ' ' PRO . 74.4 Cg_exo -51.36 114.26 1.48 Allowed 'Trans proline' 0 C--O 1.234 0.31 0 C-N-CA 123.037 2.491 . . . . 0.0 112.755 -177.444 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.8 m 66.07 19.5 11.17 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.937 177.147 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.487 ' HB ' ' HB2' ' A' ' 4' ' ' PRO . 5.9 m -110.64 35.62 3.41 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 170.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -81.21 121.79 26.59 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 114.055 -1.43 . . . . 0.0 111.29 -173.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.416 ' HA ' ' HB2' ' A' ' 38' ' ' CYS . 36.8 t -148.9 44.97 1.0 Allowed 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 107.701 -1.222 . . . . 0.0 107.701 175.046 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.538 ' SG ' ' HG ' ' A' ' 3' ' ' LEU . 18.7 m -61.98 118.93 7.92 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 114.408 -1.269 . . . . 0.0 111.974 -176.224 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 18.7 p -80.28 -44.22 19.97 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.442 170.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -79.44 153.89 29.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.314 172.209 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 91.7 mt -142.74 143.02 32.06 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.225 -178.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.662 ' CE2' ' HB2' ' A' ' 16' ' ' LYS . 54.6 t80 -73.11 -56.44 5.11 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.731 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 28.5 ttp180 72.35 -16.98 0.4 Allowed 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 115.556 -0.747 . . . . 0.0 112.879 172.155 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.662 ' HB2' ' CE2' ' A' ' 14' ' ' TYR . 65.5 mttm -84.27 145.57 45.96 Favored Pre-proline 0 C--N 1.322 -0.623 0 O-C-N 121.84 -0.537 . . . . 0.0 110.079 175.749 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.681 ' HA ' ' HB2' ' A' ' 60' ' ' SER . 32.5 Cg_exo -59.39 135.71 66.99 Favored 'Trans proline' 0 C--O 1.237 0.449 0 C-N-CA 122.558 2.172 . . . . 0.0 112.043 177.529 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.699 HD12 HD12 ' A' ' 45' ' ' LEU . 80.6 mt -88.94 152.34 21.77 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.735 -179.133 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 25.0 m -75.74 146.29 40.18 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.88 -179.655 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.413 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 30.2 t70 -58.52 -31.08 67.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.099 -178.381 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 51.8 mttp -55.21 -46.41 75.92 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.487 177.205 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.402 ' HG ' ' H ' ' A' ' 22' ' ' LEU . 0.3 OUTLIER -73.24 -35.7 66.29 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.893 179.406 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.551 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 76.5 mt -63.99 -44.73 91.81 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.1 -175.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.453 ' HB3' ' HD2' ' A' ' 71' ' ' LYS . 17.4 ptm180 -69.81 4.17 2.14 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 121.371 0.605 . . . . 0.0 111.275 177.422 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.6 mtpt -112.06 -2.68 14.96 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.264 179.148 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.74 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 55.8 t -74.13 152.3 7.06 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.672 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.209 175.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 12.0 pt -117.37 -38.67 2.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.134 177.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 58.5 mm-40 -148.37 157.17 43.32 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 120.972 0.415 . . . . 0.0 110.978 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.431 HG13 HD23 ' A' ' 45' ' ' LEU . 43.3 t -108.66 121.28 61.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 172.674 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.739 ' HG3' ' HB ' ' A' ' 44' ' ' VAL . 10.7 pt-20 -106.26 113.02 26.3 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-O 121.553 0.692 . . . . 0.0 110.367 -177.608 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 47.4 tp -82.21 105.55 13.39 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.657 -179.175 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -74.61 104.28 5.23 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.132 172.575 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -77.49 158.52 29.9 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.924 0.392 . . . . 0.0 111.494 -178.293 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.623 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . . . -80.23 3.0 22.22 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.481 -177.598 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -146.56 -45.1 0.19 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.066 177.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -59.25 -63.8 4.84 Favored Glycine 0 CA--C 1.519 0.33 0 C-N-CA 121.19 -0.529 . . . . 0.0 113.507 -178.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -85.78 -49.78 7.66 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.271 0.557 . . . . 0.0 110.935 -176.462 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.416 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 42.7 t -135.42 -171.6 2.87 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 -175.331 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 12.3 p-80 -104.59 16.93 25.09 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.559 0.695 . . . . 0.0 109.992 174.505 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.5 tt -142.75 130.78 21.81 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.116 -0.947 . . . . 0.0 108.495 178.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.623 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 60.5 tt0 -83.29 129.81 35.03 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.686 0.279 . . . . 0.0 110.82 -177.336 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.564 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -148.0 146.68 29.02 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.791 179.452 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.779 ' HB3' ' HG ' ' A' ' 61' ' ' LEU . 22.7 m-85 -99.33 101.14 12.33 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 174.626 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.739 ' HB ' ' HG3' ' A' ' 30' ' ' GLU . 23.2 t -98.96 131.52 46.03 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.567 -173.664 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.699 HD12 HD12 ' A' ' 18' ' ' LEU . 66.7 mt -100.49 123.73 45.08 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.39 -178.616 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -104.43 108.54 20.01 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.594 -175.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.74 ' HA ' ' HA ' ' A' ' 26' ' ' VAL . 6.2 mp -89.31 166.61 13.65 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 176.272 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.12 -7.45 46.67 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.033 0.383 . . . . 0.0 112.033 -174.585 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.423 ' NE2' ' HB3' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -138.57 8.69 2.62 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 113.021 0.749 . . . . 0.0 113.021 177.947 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.432 ' HG2' ' HB2' ' A' ' 47' ' ' LEU . 10.8 ptm180 -168.35 168.28 11.44 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 120.511 -0.476 . . . . 0.0 111.873 -178.095 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.5 m -132.3 139.86 48.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.807 177.453 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 72.2 mt -132.45 132.78 60.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 179.147 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 92.4 m -101.36 121.05 41.22 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.612 0.72 . . . . 0.0 110.924 -175.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.401 ' HB ' ' O ' ' A' ' 43' ' ' PHE . 0.9 OUTLIER -109.14 140.63 27.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.395 -0.82 . . . . 0.0 111.17 -177.633 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.466 ' O ' ' HB2' ' A' ' 58' ' ' ASN . 26.8 t-80 -71.39 126.3 91.79 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.816 173.666 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.564 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 50.0 Cg_exo -56.42 161.75 9.0 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.765 2.31 . . . . 0.0 111.351 177.567 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.526 ' HA ' ' O ' ' A' ' 88' ' ' GLY . 2.4 mp0 66.02 58.98 0.72 Allowed 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 -170.416 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.466 ' HB2' ' O ' ' A' ' 55' ' ' HIS . 13.1 t-20 -141.39 128.62 11.74 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-N 114.527 -1.215 . . . . 0.0 110.567 -174.799 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 58' ' ' ASN . 39.6 Cg_exo -56.92 -34.58 97.48 Favored 'Trans proline' 0 N--CA 1.463 -0.297 0 C-N-CA 122.885 2.39 . . . . 0.0 112.86 -178.737 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.681 ' HB2' ' HA ' ' A' ' 17' ' ' PRO . 20.7 t -65.33 -37.82 88.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.879 -0.146 . . . . 0.0 111.137 -175.332 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.779 ' HG ' ' HB3' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -79.53 -44.8 20.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.625 0.25 . . . . 0.0 110.478 -177.573 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.403 ' HB2' ' OXT' ' A' ' 88' ' ' GLY . 14.1 t -60.21 -50.63 72.88 Favored 'General case' 0 C--O 1.243 0.713 0 CA-C-O 121.401 0.619 . . . . 0.0 110.349 179.596 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -64.14 -28.95 70.11 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.038 177.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.551 ' CZ3' ' HB3' ' A' ' 23' ' ' LEU . 26.4 t-105 -67.89 -37.06 81.29 Favored 'General case' 0 C--O 1.219 -0.538 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.693 179.357 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.896 ' HD2' ' HB3' ' A' ' 81' ' ' PHE . 2.7 m-85 -55.48 -46.57 76.85 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.924 0.392 . . . . 0.0 110.217 176.218 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -64.82 -48.62 73.72 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-O 121.72 0.772 . . . . 0.0 110.085 175.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.484 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 40.2 m170 -63.92 -43.81 94.81 Favored 'General case' 0 C--O 1.215 -0.743 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.959 -175.129 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.631 HE21 ' HA ' ' A' ' 65' ' ' PHE . 30.3 pt20 -62.73 -35.28 79.25 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 117.648 0.204 . . . . 0.0 110.972 -175.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -53.06 -42.93 66.28 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-O 121.309 0.576 . . . . 0.0 109.52 173.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 70' ' ' ARG . 1.5 ptp180 -114.89 26.22 10.33 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 -176.491 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.484 ' HB2' ' O ' ' A' ' 67' ' ' HIS . 14.9 tppt? -104.22 -99.03 0.31 Allowed 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 120.297 -0.561 . . . . 0.0 111.539 -176.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.731 HD13 ' H ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -59.26 -13.29 7.31 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.743 0.306 . . . . 0.0 110.513 170.926 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 4.2 t60 62.47 19.13 10.96 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-O 121.677 0.751 . . . . 0.0 109.138 -179.689 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.463 ' H ' HD23 ' A' ' 72' ' ' LEU . . . -71.56 -20.47 78.47 Favored Glycine 0 CA--C 1.511 -0.213 0 CA-C-N 114.56 -1.2 . . . . 0.0 112.199 -176.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.484 ' C ' HD22 ' A' ' 76' ' ' LEU . 66.1 p 63.88 145.92 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.801 1.24 . . . . 0.0 112.227 179.41 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.527 ' HB3' ' HD2' ' A' ' 77' ' ' PRO . 3.9 mm? -116.58 175.96 1.74 Allowed Pre-proline 0 N--CA 1.437 -1.083 0 CA-C-N 114.851 -1.068 . . . . 0.0 109.44 -173.231 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.527 ' HD2' ' HB3' ' A' ' 76' ' ' LEU . 26.0 Cg_exo -41.1 127.85 2.85 Favored 'Trans proline' 0 N--CA 1.459 -0.537 0 C-N-CA 122.815 2.343 . . . . 0.0 112.473 167.434 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -76.88 80.24 3.45 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.265 0.555 . . . . 0.0 110.211 -178.506 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.9 pp -124.17 -8.43 7.65 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.479 176.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 68.28 127.34 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.493 -1.231 . . . . 0.0 110.613 -179.21 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.896 ' HB3' ' HD2' ' A' ' 65' ' ' PHE . 2.6 m-85 -96.54 11.28 35.71 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.829 -168.077 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -66.85 -13.52 61.62 Favored Glycine 0 N--CA 1.452 -0.295 0 CA-C-N 115.86 -0.609 . . . . 0.0 113.369 -176.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.5 -14.88 58.58 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 117.015 0.407 . . . . 0.0 110.506 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 23.4 tp -115.89 -22.31 9.12 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.002 -178.675 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.455 ' HG3' ' O ' ' A' ' 81' ' ' PHE . 59.8 mtp180 -53.47 108.54 0.35 Allowed 'General case' 0 N--CA 1.463 0.177 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -177.009 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 19.6 mmtp 62.44 14.91 7.33 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.405 176.654 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 29.9 tpp -101.61 -36.68 8.68 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.793 -177.486 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.526 ' O ' ' HA ' ' A' ' 57' ' ' GLN . . . . . . . . 0 N--CA 1.44 -1.049 0 N-CA-C 110.435 -1.066 . . . . 0.0 110.435 178.544 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 75.4 t80 . . . . . 0 N--CA 1.474 0.74 0 CA-C-O 121.0 0.429 . . . . 0.0 110.5 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.8 pp -103.66 144.22 31.73 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 173.406 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.457 ' HG ' ' SG ' ' A' ' 53' ' ' CYS . 3.9 mm? -72.38 123.03 88.99 Favored Pre-proline 0 C--N 1.319 -0.736 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 177.639 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.409 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 76.7 Cg_exo -50.1 128.09 21.41 Favored 'Trans proline' 0 N--CA 1.459 -0.51 0 C-N-CA 122.374 2.049 . . . . 0.0 111.538 179.386 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 4' ' ' PRO . 53.0 Cg_exo -54.34 126.96 23.93 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 123.033 2.489 . . . . 0.0 112.74 -176.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.7 m 68.51 25.39 6.77 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.229 177.501 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 16.1 m -119.21 90.74 3.39 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 176.134 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.672 ' HB1' ' HG2' ' A' ' 32' ' ' GLN . . . -87.34 87.49 7.44 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.311 0.577 . . . . 0.0 112.084 -171.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.507 ' HA ' ' CB ' ' A' ' 38' ' ' CYS . 45.5 t -160.22 97.52 1.25 Allowed 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 170.362 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -115.75 119.43 36.03 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.78 -170.827 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 20.9 p -90.62 6.17 44.94 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.896 0.379 . . . . 0.0 111.743 -178.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -155.57 159.36 39.62 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.044 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.451 HD13 ' HA ' ' A' ' 55' ' ' HIS . 85.2 mt -124.8 142.25 51.55 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 178.742 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.453 ' CE2' ' HB3' ' A' ' 16' ' ' LYS . 25.9 t80 -66.46 -33.33 75.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.815 0.34 . . . . 0.0 110.278 -177.567 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 62.7 mtm180 59.19 27.21 16.15 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.899 173.461 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.453 ' HB3' ' CE2' ' A' ' 14' ' ' TYR . 61.0 tttp -146.47 136.45 11.94 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.823 -179.05 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -60.25 144.39 99.5 Favored 'Trans proline' 0 C--O 1.233 0.241 0 C-N-CA 122.529 2.153 . . . . 0.0 111.682 176.066 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.595 ' HB3' HD11 ' A' ' 22' ' ' LEU . 84.8 mt -94.38 159.99 14.87 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.907 -176.475 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.624 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 18.1 m -81.18 137.91 35.88 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.466 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.56 ' HA ' HD12 ' A' ' 23' ' ' LEU . 21.1 t70 -62.43 -29.23 70.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.93 0.395 . . . . 0.0 111.938 -173.523 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.523 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 91.8 mttt -63.51 -46.29 86.73 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.824 -179.221 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.624 ' HG ' ' O ' ' A' ' 19' ' ' SER . 4.4 pp -73.94 -26.73 60.65 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 176.378 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.56 HD12 ' HA ' ' A' ' 20' ' ' ASP . 18.2 mt -60.54 -46.77 88.94 Favored 'General case' 0 C--O 1.221 -0.443 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.599 179.076 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.523 ' HG2' ' O ' ' A' ' 21' ' ' LYS . 5.8 ptm180 -59.74 -7.81 1.77 Allowed 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 -177.808 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.4 mtmt -98.44 -7.02 29.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.828 0.347 . . . . 0.0 110.76 178.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.88 HG22 ' HG ' ' A' ' 47' ' ' LEU . 46.5 t -74.3 120.74 24.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 -178.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 26.8 pt -100.54 -21.55 5.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -169.389 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.518 ' HB2' ' HB3' ' A' ' 46' ' ' HIS . 82.5 mm-40 -144.47 155.96 43.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.007 0.432 . . . . 0.0 111.279 -178.097 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.5 t -127.1 118.11 49.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 175.29 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -125.7 144.3 50.67 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.225 0.536 . . . . 0.0 111.434 -174.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 57.4 tp -103.56 127.33 51.0 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.017 -177.288 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.672 ' HG2' ' HB1' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -97.42 119.08 35.3 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 173.244 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -78.98 162.23 26.1 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.946 0.403 . . . . 0.0 111.877 -170.648 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.527 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . . . -78.49 6.28 8.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.874 -174.859 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.443 ' HA ' ' HA ' ' A' ' 39' ' ' HIS . 27.5 t70 -174.08 139.04 0.62 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.192 -178.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 137.26 -111.84 0.87 Allowed Glycine 0 N--CA 1.445 -0.728 0 N-CA-C 111.468 -0.653 . . . . 0.0 111.468 -177.569 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -63.94 -45.79 87.63 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 175.717 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.549 ' HB3' ' NE2' ' A' ' 32' ' ' GLN . 0.5 OUTLIER -136.15 126.97 27.44 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.662 -1.154 . . . . 0.0 108.388 178.517 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.443 ' HA ' ' HA ' ' A' ' 35' ' ' ASP . 8.8 p-80 -90.13 73.56 7.22 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 112.864 0.69 . . . . 0.0 112.864 -172.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.429 HD22 ' O ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -175.01 139.14 0.47 Allowed 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.353 171.35 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.527 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 8.6 tt0 -79.81 127.55 32.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.732 0.301 . . . . 0.0 110.828 -173.376 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.431 ' HB3' ' HB3' ' A' ' 32' ' ' GLN . . . -148.27 138.97 22.94 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.145 -179.595 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.453 ' HB2' HG22 ' A' ' 54' ' ' ILE . 19.0 m-85 -101.92 111.43 23.69 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 173.425 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 14.5 t -105.09 125.55 60.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-O 121.344 0.592 . . . . 0.0 111.263 -171.114 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.49 HD12 HD12 ' A' ' 18' ' ' LEU . 73.3 mt -95.94 124.1 39.82 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.123 179.505 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.518 ' HB3' ' HB2' ' A' ' 28' ' ' GLN . 3.5 t-160 -99.92 99.2 9.94 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.782 -171.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.88 ' HG ' HG22 ' A' ' 26' ' ' VAL . 6.3 mp -83.17 170.21 14.98 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 175.135 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.39 -20.23 66.01 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -172.293 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.59 11.26 3.74 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.85 -175.488 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.9 ptp180 -171.54 166.32 6.8 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 120.641 0.258 . . . . 0.0 111.122 -177.668 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.424 ' HB2' ' HB2' ' A' ' 3' ' ' LEU . 3.7 m -132.08 138.66 48.23 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 175.593 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 66.2 mt -121.87 137.44 55.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.355 -0.384 . . . . 0.0 109.99 -178.306 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.457 ' SG ' ' HG ' ' A' ' 3' ' ' LEU . 72.4 m -101.4 121.51 42.05 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.5 0.666 . . . . 0.0 110.521 -177.861 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.453 HG22 ' HB2' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -109.51 147.23 14.1 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.866 0 CA-C-N 114.901 -1.045 . . . . 0.0 110.149 -176.742 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.66 ' O ' ' HB2' ' A' ' 58' ' ' ASN . 22.1 t-80 -65.41 131.46 94.93 Favored Pre-proline 0 C--N 1.326 -0.435 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 175.5 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -53.09 141.17 58.68 Favored 'Trans proline' 0 CA--C 1.526 0.117 0 C-N-CA 122.961 2.44 . . . . 0.0 112.817 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 70.43 12.63 7.48 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.85 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.66 ' HB2' ' O ' ' A' ' 55' ' ' HIS . 0.7 OUTLIER -71.28 139.59 84.64 Favored Pre-proline 0 C--N 1.329 -0.284 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 175.692 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -51.46 -40.3 63.03 Favored 'Trans proline' 0 C--O 1.224 -0.214 0 C-N-CA 123.227 2.618 . . . . 0.0 112.644 -178.724 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 12.3 t -62.66 -26.63 68.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.491 -177.221 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.413 HD22 HD21 ' A' ' 45' ' ' LEU . 0.4 OUTLIER -80.05 -46.76 15.99 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 34.1 t -64.09 -50.3 68.85 Favored 'General case' 0 C--O 1.242 0.691 0 CA-C-O 121.409 0.623 . . . . 0.0 110.76 179.043 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -60.73 -28.75 68.91 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.302 178.698 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.619 ' CE2' ' HB3' ' A' ' 68' ' ' GLN . 26.7 t-105 -67.27 -37.46 83.49 Favored 'General case' 0 N--CA 1.447 -0.62 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.885 179.128 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -53.66 -43.65 68.99 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 121.064 0.459 . . . . 0.0 110.005 176.195 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.496 ' O ' ' HB3' ' A' ' 69' ' ' GLU . 54.5 mt-10 -67.5 -49.45 63.44 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-O 121.826 0.822 . . . . 0.0 110.659 177.811 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.42 ' HB3' ' CE ' ' A' ' 71' ' ' LYS . 13.3 m170 -65.33 -49.2 70.33 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.196 -0.911 . . . . 0.0 111.712 -172.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.619 ' HB3' ' CE2' ' A' ' 64' ' ' TRP . 3.7 pt20 -61.61 -28.52 69.42 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.835 0.35 . . . . 0.0 110.156 -179.628 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.496 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 38.9 tt0 -57.84 -36.75 72.73 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.652 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 22.0 ptt180 -113.74 15.97 18.63 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 120.073 -0.651 . . . . 0.0 112.258 179.361 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.534 ' HE3' ' OD1' ' A' ' 20' ' ' ASP . 63.0 mttm -118.85 -160.51 0.8 Allowed 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 110.1 -0.334 . . . . 0.0 110.1 176.19 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.458 HD21 ' O ' ' A' ' 26' ' ' VAL . 7.5 mp 56.43 -87.72 0.02 OUTLIER 'General case' 0 C--N 1.345 0.382 0 O-C-N 123.557 0.536 . . . . 0.0 111.502 -175.429 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 54.3 t-80 -166.82 5.99 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 -178.586 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 83.88 -0.16 89.56 Favored Glycine 0 N--CA 1.447 -0.595 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -168.309 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 20.4 p -85.44 106.47 16.82 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.454 -0.373 . . . . 0.0 110.353 179.49 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 76.1 mt -150.51 156.04 36.55 Favored Pre-proline 0 C--N 1.32 -0.682 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 -175.221 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -80.0 166.21 21.17 Favored 'Trans proline' 0 N--CA 1.453 -0.91 0 C-N-CA 122.328 2.019 . . . . 0.0 110.703 174.643 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -74.01 90.01 1.95 Allowed 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 120.429 -0.508 . . . . 0.0 110.077 177.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 73.3 mt -90.8 92.77 8.94 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.929 178.529 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -83.33 42.38 0.82 Allowed 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.483 0.659 . . . . 0.0 110.411 -179.29 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.449 ' HA ' ' SD ' ' A' ' 83' ' ' MET . 8.2 m-85 -81.98 51.85 1.84 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.432 -178.169 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -66.13 -19.75 68.4 Favored Glycine 0 N--CA 1.45 -0.405 0 CA-C-N 115.77 -0.65 . . . . 0.0 112.03 179.503 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.449 ' SD ' ' HA ' ' A' ' 81' ' ' PHE . 0.0 OUTLIER -80.12 -5.95 56.86 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.917 0.389 . . . . 0.0 110.485 178.136 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -111.81 -25.09 9.64 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.037 179.529 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 18.6 mmt180 -64.17 126.7 28.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.779 178.429 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 31.5 ttpt 63.77 10.24 4.99 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 121.776 0.798 . . . . 0.0 110.862 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 43.0 tpp -87.3 -37.59 17.03 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.198 178.369 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.939 0 CA-C-N 114.814 -1.084 . . . . 0.0 110.764 174.655 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 78.5 t80 . . . . . 0 N--CA 1.477 0.922 0 CA-C-O 121.179 0.514 . . . . 0.0 110.243 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.568 ' O ' ' HD3' ' A' ' 4' ' ' PRO . 50.5 tp -152.96 135.0 14.79 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.141 174.465 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' A' ' 3' ' ' LEU . 4.4 mm? -81.44 106.43 5.86 Favored Pre-proline 0 C--N 1.321 -0.664 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 174.574 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.568 ' HD3' ' O ' ' A' ' 2' ' ' LEU . 23.4 Cg_exo -64.01 148.79 91.47 Favored 'Trans proline' 0 C--O 1.235 0.36 0 C-N-CA 122.987 2.458 . . . . 0.0 112.469 -177.268 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_exo -56.1 123.5 13.97 Favored 'Trans proline' 0 C--O 1.234 0.306 0 C-N-CA 122.794 2.329 . . . . 0.0 112.126 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.2 m 67.88 16.53 9.65 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.348 0.594 . . . . 0.0 111.402 179.08 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.1 m -115.02 58.26 0.71 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.663 0.745 . . . . 0.0 109.005 174.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -96.64 87.59 4.41 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.383 -0.826 . . . . 0.0 112.089 -172.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 53.8 t -121.33 77.97 1.38 Allowed 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 107.573 -1.269 . . . . 0.0 107.573 163.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 79.8 m -76.97 117.58 18.7 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 114.868 -1.06 . . . . 0.0 111.552 -171.061 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -92.67 -10.35 37.56 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.572 170.032 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -112.48 149.39 32.68 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.945 -1.025 . . . . 0.0 110.104 174.425 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 96.2 mt -136.24 135.48 39.08 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.716 0.293 . . . . 0.0 110.541 -176.435 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.464 ' CE2' ' HB2' ' A' ' 16' ' ' LYS . 36.5 t80 -72.42 -46.24 56.01 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.555 -179.385 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 47.0 mtp180 71.05 -25.51 0.17 Allowed 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 113.334 0.864 . . . . 0.0 113.334 173.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.464 ' HB2' ' CE2' ' A' ' 14' ' ' TYR . 57.6 mttp -85.47 155.22 59.7 Favored Pre-proline 0 C--N 1.322 -0.63 0 O-C-N 122.185 -0.322 . . . . 0.0 110.52 -179.689 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_exo -62.08 143.19 94.53 Favored 'Trans proline' 0 C--O 1.233 0.256 0 C-N-CA 122.558 2.172 . . . . 0.0 111.195 172.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.606 HD21 HG21 ' A' ' 52' ' ' ILE . 69.2 mt -91.11 138.46 31.58 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 120.882 0.372 . . . . 0.0 110.873 -176.238 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.553 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 25.0 m -56.24 128.32 35.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.546 177.829 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -61.15 -28.77 69.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.207 -0.451 . . . . 0.0 112.094 -172.414 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.496 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 45.5 mmtm -68.08 -44.16 76.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.5 0.19 . . . . 0.0 111.033 179.657 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.553 ' HG ' ' O ' ' A' ' 19' ' ' SER . 4.5 pp -75.73 -28.62 58.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.221 0.534 . . . . 0.0 110.161 174.855 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.654 ' HG ' ' CZ3' ' A' ' 64' ' ' TRP . 15.9 tp -66.42 -31.5 72.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.452 -173.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.496 ' HG2' ' O ' ' A' ' 21' ' ' LYS . 4.0 ptm180 -68.04 -9.01 42.54 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.674 0.273 . . . . 0.0 111.61 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 47.6 mtmt -104.76 9.19 35.06 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.859 0.362 . . . . 0.0 110.966 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.631 HG22 ' HG ' ' A' ' 47' ' ' LEU . 51.7 t -79.5 98.15 2.94 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.57 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 171.138 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 19.9 pt -83.5 -18.69 10.09 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.919 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.865 -169.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 37.5 mm-40 -154.16 157.63 39.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.296 -179.11 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 4.0 p -119.2 126.18 75.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 174.556 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -112.71 127.74 56.21 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.293 0.568 . . . . 0.0 110.82 -175.678 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 41.1 tp -91.44 106.68 18.67 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.285 -177.383 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.526 ' O ' ' HA ' ' A' ' 41' ' ' GLN . 49.1 tt0 -79.84 107.82 12.92 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 171.652 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -76.67 158.77 30.78 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.914 0.388 . . . . 0.0 111.353 -176.33 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.661 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . . . -75.72 -6.54 51.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.915 -175.313 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -168.45 26.5 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.595 0.712 . . . . 0.0 109.494 -178.54 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -93.47 -96.94 1.5 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.669 -0.777 . . . . 0.0 111.636 -179.481 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -78.21 -15.15 59.07 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.389 0.614 . . . . 0.0 109.921 175.552 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.1 t -156.94 170.44 22.51 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 176.226 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.487 ' O ' ' HB2' ' A' ' 40' ' ' LEU . 28.2 t60 -105.03 76.84 1.27 Allowed 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.094 -178.353 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.487 ' HB2' ' O ' ' A' ' 39' ' ' HIS . 5.6 tt 175.59 121.98 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 175.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.661 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 34.5 tt0 -86.12 123.96 32.0 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.357 0.599 . . . . 0.0 111.757 -176.184 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.59 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -148.45 134.7 19.4 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.431 177.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.572 ' O ' ' HB ' ' A' ' 54' ' ' ILE . 13.9 m-85 -89.86 99.99 12.89 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 172.336 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 25.1 t -102.05 136.3 34.8 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.98 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.038 -172.183 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.497 HD12 HD12 ' A' ' 18' ' ' LEU . 53.0 mt -99.06 125.47 44.57 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.173 0.511 . . . . 0.0 110.934 -175.677 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 64.7 t60 -98.08 99.9 11.19 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.696 -172.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.631 ' HG ' HG22 ' A' ' 26' ' ' VAL . 5.9 mp -89.1 162.48 15.95 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.057 177.172 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.56 15.57 0.1 Allowed 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.116 -0.493 . . . . 0.0 112.11 -178.025 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.447 ' H ' ' C ' ' A' ' 47' ' ' LEU . 14.7 mp0 -133.27 -51.19 0.88 Allowed 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 179.281 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -163.6 167.19 21.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.234 -178.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.4 m -98.32 144.46 27.7 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.178 0.513 . . . . 0.0 111.737 -176.042 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.606 HG21 HD21 ' A' ' 18' ' ' LEU . 68.4 mt -111.45 135.38 50.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.148 175.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 30.7 m -100.39 121.8 42.1 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.239 0.543 . . . . 0.0 110.823 -169.468 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.572 ' HB ' ' O ' ' A' ' 43' ' ' PHE . 39.6 mt -124.34 142.76 40.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.604 -0.726 . . . . 0.0 111.182 -174.557 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.618 ' O ' ' HB2' ' A' ' 58' ' ' ASN . 42.1 t-80 -70.65 134.61 86.21 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.474 176.594 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.59 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 1.1 Cg_endo -46.16 -48.56 12.81 Favored 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 122.999 2.466 . . . . 0.0 112.702 -179.34 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -84.13 82.0 8.56 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 173.128 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.618 ' HB2' ' O ' ' A' ' 55' ' ' HIS . 0.9 OUTLIER -148.5 122.96 4.88 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-N 115.301 -0.863 . . . . 0.0 108.872 177.25 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -54.37 -29.29 57.63 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.74 2.293 . . . . 0.0 112.225 -173.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.4 p -60.03 -33.62 72.27 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.475 -0.784 . . . . 0.0 112.071 -178.462 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.509 ' HG ' ' HB3' ' A' ' 43' ' ' PHE . 0.3 OUTLIER -79.76 -47.17 15.69 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 121.001 -0.28 . . . . 0.0 110.256 -176.337 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.514 ' HA ' ' CD2' ' A' ' 65' ' ' PHE . 47.0 t -60.06 -46.53 89.23 Favored 'General case' 0 C--O 1.24 0.571 0 CA-C-O 121.268 0.556 . . . . 0.0 110.261 177.196 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -63.59 -28.67 70.09 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.256 177.301 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.654 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 30.6 t-105 -69.33 -34.01 73.99 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.746 177.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.514 ' CD2' ' HA ' ' A' ' 62' ' ' SER . 21.0 m-85 -53.32 -51.31 62.81 Favored 'General case' 0 C--O 1.238 0.483 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 175.223 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -63.97 -47.14 81.57 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.346 178.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 33.7 m170 -68.6 -43.29 76.75 Favored 'General case' 0 C--O 1.221 -0.405 0 CA-C-N 115.434 -0.803 . . . . 0.0 112.477 -173.316 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.477 ' HB3' ' CE2' ' A' ' 64' ' ' TRP . 3.8 pt20 -65.03 -27.42 68.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 117.882 0.31 . . . . 0.0 110.592 -176.859 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -63.76 -40.57 97.02 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.145 175.368 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 34.0 ptt180 -113.47 33.4 5.16 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 116.344 -0.389 . . . . 0.0 112.023 -178.144 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.519 ' HB3' HD23 ' A' ' 72' ' ' LEU . 12.2 ttmm -141.04 -167.86 2.48 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 174.281 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.519 HD23 ' HB3' ' A' ' 71' ' ' LYS . 0.2 OUTLIER 37.51 -93.67 0.01 OUTLIER 'General case' 0 C--N 1.346 0.453 0 C-N-CA 124.114 0.966 . . . . 0.0 112.244 -173.432 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -149.4 29.33 0.78 Allowed 'General case' 0 N--CA 1.445 -0.681 0 CA-C-O 121.336 0.588 . . . . 0.0 110.494 177.054 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 62.82 55.93 24.0 Favored Glycine 0 C--N 1.331 0.28 0 CA-C-N 115.109 -0.95 . . . . 0.0 113.139 175.339 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 19.1 p -132.17 129.02 39.23 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.657 0.265 . . . . 0.0 111.397 -179.512 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.53 ' C ' HD12 ' A' ' 76' ' ' LEU . 3.6 pp -156.24 146.29 15.72 Favored Pre-proline 0 C--N 1.321 -0.669 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.856 178.058 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -81.79 130.69 6.82 Favored 'Trans proline' 0 N--CA 1.457 -0.654 0 C-N-CA 122.692 2.262 . . . . 0.0 112.191 178.158 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -82.39 82.13 7.97 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.209 0.528 . . . . 0.0 110.085 178.028 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.546 HD23 ' H ' ' A' ' 79' ' ' LEU . 2.2 pt? -99.06 16.67 21.9 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.104 178.014 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 50.4 m-80 55.43 91.92 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 114.368 -1.287 . . . . 0.0 110.783 -177.15 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.456 ' O ' ' HG3' ' A' ' 85' ' ' ARG . 19.8 p90 -119.77 22.43 11.57 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.553 -172.739 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -69.01 -19.29 73.6 Favored Glycine 0 C--O 1.227 -0.32 0 C-N-CA 121.081 -0.581 . . . . 0.0 112.181 -178.426 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.444 ' SD ' ' HA ' ' A' ' 81' ' ' PHE . 0.0 OUTLIER -81.69 -4.26 55.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.719 0.295 . . . . 0.0 110.921 -178.966 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 34.9 tp -116.04 -19.6 10.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.433 -176.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.456 ' HG3' ' O ' ' A' ' 81' ' ' PHE . 62.2 mtp180 -64.4 106.77 1.19 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.039 0.447 . . . . 0.0 111.385 -174.518 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.458 ' HB3' ' HE2' ' A' ' 86' ' ' LYS . 37.4 mtpt 59.78 16.1 5.32 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.078 -0.964 . . . . 0.0 110.902 -175.147 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 65.9 mtt -109.34 -23.03 11.77 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.668 -0.697 . . . . 0.0 111.01 -178.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.206 0 CA-C-O 118.696 -1.058 . . . . 0.0 111.456 178.72 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 35.9 p90 . . . . . 0 N--CA 1.481 1.107 0 CA-C-O 121.092 0.472 . . . . 0.0 110.684 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.694 ' H ' HD23 ' A' ' 2' ' ' LEU . 2.1 pt? -74.27 143.7 44.93 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 172.828 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.5 HD12 ' HA ' ' A' ' 8' ' ' ALA . 3.4 mm? -94.87 110.45 49.71 Favored Pre-proline 0 C--N 1.319 -0.726 0 CA-C-O 121.161 0.505 . . . . 0.0 110.971 -178.164 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.644 ' HB2' ' HB ' ' A' ' 7' ' ' THR . 42.3 Cg_exo -57.39 147.63 76.55 Favored 'Trans proline' 0 CA--C 1.529 0.262 0 C-N-CA 122.909 2.406 . . . . 0.0 111.757 176.248 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -54.54 115.19 2.22 Favored 'Trans proline' 0 C--O 1.238 0.505 0 C-N-CA 123.15 2.567 . . . . 0.0 112.939 -176.462 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 t 61.77 32.24 18.25 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-O 121.878 0.847 . . . . 0.0 110.068 -178.423 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.644 ' HB ' ' HB2' ' A' ' 4' ' ' PRO . 6.1 m -135.3 35.04 3.01 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 107.108 -1.441 . . . . 0.0 107.108 170.834 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.5 ' HA ' HD12 ' A' ' 3' ' ' LEU . . . -88.03 89.06 7.84 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 113.963 -1.471 . . . . 0.0 111.043 -170.611 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.628 ' HA ' ' NE2' ' A' ' 32' ' ' GLN . 49.3 t -104.02 81.57 1.87 Allowed 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 173.447 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 76.1 m -79.67 117.25 20.42 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.813 -177.288 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.1 p -94.63 2.05 55.6 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.305 0.574 . . . . 0.0 110.182 173.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.95 145.61 51.04 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.426 177.534 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 98.2 mt -122.1 142.13 50.69 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.535 -177.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.433 ' CE2' ' HB3' ' A' ' 16' ' ' LYS . 12.3 t80 -75.08 -40.42 60.12 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.743 -177.549 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 60.66 23.54 13.36 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 175.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.466 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 85.3 tttt -136.97 133.4 18.64 Favored Pre-proline 0 C--N 1.319 -0.739 0 CA-C-O 120.594 0.235 . . . . 0.0 110.53 -177.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.771 ' HA ' ' HB3' ' A' ' 60' ' ' SER . 33.7 Cg_exo -62.17 130.02 29.11 Favored 'Trans proline' 0 N--CA 1.464 -0.242 0 C-N-CA 122.737 2.292 . . . . 0.0 111.838 176.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.719 ' HB3' HD11 ' A' ' 22' ' ' LEU . 90.4 mt -84.34 160.96 20.58 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.821 -178.078 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.67 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 22.3 m -70.12 135.18 48.93 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.614 177.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.533 ' HA ' HD12 ' A' ' 23' ' ' LEU . 22.7 t70 -60.28 -32.52 71.27 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.963 0.411 . . . . 0.0 111.037 -178.535 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.492 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 36.7 mmtm -59.13 -45.69 90.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.336 177.227 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.719 HD11 ' HB3' ' A' ' 18' ' ' LEU . 4.2 pp -74.86 -26.57 59.77 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.194 177.102 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.554 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 58.4 mt -62.66 -46.11 89.69 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.325 179.74 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.495 ' HB3' ' HD3' ' A' ' 71' ' ' LYS . 26.0 ptt180 -62.69 2.89 0.25 Allowed 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 179.19 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.565 ' HD3' ' HA ' ' A' ' 22' ' ' LEU . 24.2 mtpp -102.5 -17.41 15.78 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 122.747 0.419 . . . . 0.0 110.054 176.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 43.9 t -69.74 102.19 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.07 -174.314 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 33.9 pt -76.5 -26.09 16.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.208 -171.622 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 -146.14 155.33 42.66 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.015 0.436 . . . . 0.0 111.02 -178.666 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 40.6 t -120.18 115.43 47.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 172.564 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -105.26 113.83 27.64 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-O 121.557 0.694 . . . . 0.0 110.417 -175.724 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 41.4 tp -80.21 109.82 15.05 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.585 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.628 ' NE2' ' HA ' ' A' ' 9' ' ' CYS . 42.4 tt0 -72.12 103.88 3.44 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 171.552 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -74.28 152.05 39.75 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.941 -179.399 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.476 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . . . -73.94 6.65 3.16 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 -173.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -164.65 -28.9 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.076 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -63.87 -55.17 26.14 Favored Glycine 0 C--N 1.331 0.256 0 CA-C-N 115.969 -0.559 . . . . 0.0 113.038 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -91.29 -39.05 12.27 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.36 0.6 . . . . 0.0 109.995 -177.703 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 35.3 t -168.84 172.93 7.42 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 9.8 t60 -88.25 76.87 8.34 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 118.957 0.799 . . . . 0.0 109.878 179.193 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.611 ' HB3' ' NE2' ' A' ' 32' ' ' GLN . 1.2 tm? -179.79 135.37 0.11 Allowed 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 106.881 -1.526 . . . . 0.0 106.881 -176.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.476 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 41.8 tt0 -107.07 122.48 46.55 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.399 -0.521 . . . . 0.0 110.975 -178.252 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.574 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -153.39 151.14 29.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.002 0.429 . . . . 0.0 111.238 179.336 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.905 ' HB3' ' HG ' ' A' ' 61' ' ' LEU . 1.3 m-85 -102.3 105.12 15.7 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 173.019 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.432 HG13 ' O ' ' A' ' 52' ' ' ILE . 91.4 t -104.29 131.15 53.82 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.285 -171.457 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.474 HD12 HD12 ' A' ' 18' ' ' LEU . 67.7 mt -91.86 126.18 36.84 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.469 -178.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 11.5 t60 -107.75 109.49 21.08 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.923 -173.457 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 5.5 mp -98.54 165.98 11.57 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 174.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.46 -11.75 58.61 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.803 0.335 . . . . 0.0 111.684 -176.097 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.401 ' HB2' ' HG3' ' A' ' 50' ' ' ARG . 3.2 mp0 -102.17 -47.14 4.62 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.971 0.415 . . . . 0.0 110.073 179.376 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.482 HH12 HD11 ' A' ' 52' ' ' ILE . 0.2 OUTLIER -163.79 173.21 13.08 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.02 -174.585 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 48.4 m -113.44 158.49 20.6 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.08 -178.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.482 HD11 HH12 ' A' ' 50' ' ' ARG . 62.5 mt -126.92 142.17 44.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.422 176.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 31.4 m -101.1 121.26 41.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.14 0.495 . . . . 0.0 110.673 -171.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.425 ' HB ' ' O ' ' A' ' 43' ' ' PHE . 37.5 mt -127.52 142.56 43.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.396 -175.193 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.532 ' O ' ' HB2' ' A' ' 58' ' ' ASN . 49.0 t-80 -63.22 130.81 94.48 Favored Pre-proline 0 C--N 1.33 -0.243 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 173.59 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.574 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 95.4 Cg_exo -44.87 -55.37 3.41 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 123.055 2.503 . . . . 0.0 112.867 -177.305 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 89.6 mm-40 -85.84 80.59 8.87 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.314 0.578 . . . . 0.0 109.958 174.694 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.532 ' HB2' ' O ' ' A' ' 55' ' ' HIS . 1.4 t-20 -136.05 134.38 20.29 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.068 175.46 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo -58.42 -6.09 2.81 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 123.423 2.748 . . . . 0.0 112.996 -177.559 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.771 ' HB3' ' HA ' ' A' ' 17' ' ' PRO . 13.3 p -85.72 -43.71 13.14 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.852 178.054 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.905 ' HG ' ' HB3' ' A' ' 43' ' ' PHE . 0.2 OUTLIER -80.1 -41.44 25.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.009 0.433 . . . . 0.0 110.695 -174.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 12.2 m -70.59 -47.55 59.65 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.607 0.718 . . . . 0.0 110.433 -176.247 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -59.52 -28.6 67.21 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.111 -0.949 . . . . 0.0 109.218 174.426 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.554 ' CZ3' ' HB3' ' A' ' 23' ' ' LEU . 9.2 t-105 -66.08 -40.18 90.62 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.605 177.5 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -53.13 -39.62 63.63 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.532 0.206 . . . . 0.0 111.007 178.349 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -75.89 -46.33 30.66 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.329 0.585 . . . . 0.0 110.769 177.116 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 11.1 m170 -64.19 -41.89 96.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.702 -177.072 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.548 ' HB3' ' CE2' ' A' ' 64' ' ' TRP . 4.3 pt20 -71.1 -24.84 62.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.648 0.261 . . . . 0.0 110.618 -179.166 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -61.45 -30.49 70.62 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.641 176.676 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 14.5 ptt180 -113.49 14.9 19.13 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 116.141 -0.482 . . . . 0.0 112.023 179.632 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.495 ' HD3' ' HB3' ' A' ' 24' ' ' ARG . 62.1 mttm -127.62 -159.6 0.95 Allowed 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 172.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.8 mp 58.56 -89.17 0.02 OUTLIER 'General case' 0 C--N 1.346 0.416 0 CA-C-O 121.015 0.436 . . . . 0.0 111.87 -178.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 31.3 t-80 -157.35 -1.06 0.11 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.923 -177.441 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 73.89 14.6 80.02 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.208 -175.264 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 26.8 p -126.43 124.18 39.57 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 122.196 0.199 . . . . 0.0 110.748 -178.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 71.4 mt -147.54 154.58 44.99 Favored Pre-proline 0 N--CA 1.439 -0.986 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 -179.632 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -47.8 144.78 10.77 Favored 'Trans proline' 0 C--N 1.326 -0.609 0 C-N-CA 123.791 2.994 . . . . 0.0 113.073 171.2 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.591 ' HD3' ' HE2' ' A' ' 81' ' ' PHE . 31.6 mmtp -91.83 59.62 3.71 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.57 0.7 . . . . 0.0 109.496 176.508 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.423 ' HG ' ' H ' ' A' ' 79' ' ' LEU . 2.9 pp -84.81 32.65 0.52 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.182 -0.917 . . . . 0.0 112.043 -174.751 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.446 ' O ' ' HG2' ' A' ' 83' ' ' MET . 59.1 m-20 65.77 32.24 9.02 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.788 -179.08 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.591 ' HE2' ' HD3' ' A' ' 78' ' ' LYS . 34.7 p90 -58.36 -20.27 42.4 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.893 -175.658 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.53 ' O ' ' HG2' ' A' ' 86' ' ' LYS . . . -61.72 -24.48 64.39 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.433 176.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.446 ' HG2' ' O ' ' A' ' 80' ' ' ASN . 26.0 ptt? -64.11 -26.43 68.54 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 121.1 0.476 . . . . 0.0 111.365 -177.623 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 23.0 tp -97.12 -36.1 10.58 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.903 -174.599 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -83.99 34.72 0.51 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.867 0.841 . . . . 0.0 111.545 -177.161 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.53 ' HG2' ' O ' ' A' ' 82' ' ' GLY . 74.5 mmtt -104.71 -12.53 16.31 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-N 114.666 -1.152 . . . . 0.0 108.1 171.108 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.514 ' HE2' ' HA ' ' A' ' 87' ' ' MET . 17.3 mmt 57.35 82.13 0.13 Allowed 'General case' 0 C--O 1.234 0.261 0 CA-C-N 114.28 -1.327 . . . . 0.0 110.755 -174.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.976 0 CA-C-O 118.727 -1.041 . . . . 0.0 111.259 -178.056 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 42.2 p90 . . . . . 0 N--CA 1.481 1.077 0 CA-C-O 121.396 0.617 . . . . 0.0 110.764 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.471 ' O ' ' HD3' ' A' ' 4' ' ' PRO . 3.5 pp -120.47 145.29 47.39 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.13 175.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.435 HD13 ' HA ' ' A' ' 3' ' ' LEU . 4.0 mm? -73.17 112.33 15.22 Favored Pre-proline 0 C--N 1.321 -0.661 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.323 178.73 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.471 ' HD3' ' O ' ' A' ' 2' ' ' LEU . 34.1 Cg_exo -57.87 147.6 80.41 Favored 'Trans proline' 0 C--O 1.235 0.334 0 C-N-CA 122.789 2.326 . . . . 0.0 112.065 179.1 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.85 127.65 26.45 Favored 'Trans proline' 0 C--O 1.235 0.361 0 C-N-CA 122.858 2.372 . . . . 0.0 112.598 -178.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.9 m 65.05 25.69 12.58 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.615 177.516 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.9 m -116.66 84.07 2.07 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.32 0.581 . . . . 0.0 109.89 176.007 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -90.71 89.53 7.55 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.793 -0.639 . . . . 0.0 112.11 -173.722 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 15.3 t -151.26 67.08 0.9 Allowed 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 122.009 0.909 . . . . 0.0 108.632 170.384 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 15.8 t -91.42 138.23 31.74 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.33 -1.304 . . . . 0.0 110.402 -178.118 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.6 p -117.76 -32.75 4.73 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 177.514 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.77 98.5 11.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.709 0.766 . . . . 0.0 111.236 177.442 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.6 HD23 ' SG ' ' A' ' 53' ' ' CYS . 15.3 mt -86.12 141.89 29.07 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.789 -175.816 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.458 ' CE2' ' HB2' ' A' ' 16' ' ' LYS . 50.1 t80 -68.87 -21.54 64.26 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.629 -174.675 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 27.2 ptt180 45.39 31.78 0.92 Allowed 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 113.635 0.976 . . . . 0.0 113.635 174.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.458 ' HB2' ' CE2' ' A' ' 14' ' ' TYR . 59.7 mttp -142.85 149.62 50.39 Favored Pre-proline 0 C--N 1.328 -0.343 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 176.766 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.514 ' HA ' ' HB2' ' A' ' 60' ' ' SER . 9.9 Cg_exo -71.94 136.83 28.23 Favored 'Trans proline' 0 C--O 1.234 0.305 0 C-N-CA 122.97 2.447 . . . . 0.0 111.817 176.274 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.803 ' HB3' HD11 ' A' ' 22' ' ' LEU . 68.5 mt -90.08 162.22 15.43 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.761 -178.081 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.542 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 46.2 m -93.8 145.09 24.85 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.073 -178.191 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.497 ' OD1' ' HE3' ' A' ' 71' ' ' LYS . 20.8 t70 -59.83 -36.93 77.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.727 -174.619 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.589 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 60.0 mttp -60.01 -45.8 91.57 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.356 -179.794 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.803 HD11 ' HB3' ' A' ' 18' ' ' LEU . 4.4 pp -74.39 -27.96 60.88 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.457 -0.497 . . . . 0.0 110.576 176.582 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.49 ' HA ' HG23 ' A' ' 26' ' ' VAL . 67.7 mt -66.32 -37.9 86.46 Favored 'General case' 0 C--O 1.225 -0.237 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.312 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.696 ' HB3' ' HD3' ' A' ' 71' ' ' LYS . 10.9 ptt180 -67.04 4.19 0.94 Allowed 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 121.114 0.483 . . . . 0.0 111.676 -179.041 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.51 ' HE2' ' HA ' ' A' ' 22' ' ' LEU . 34.6 mtmt -117.41 2.15 12.43 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.318 177.8 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.597 HG22 ' HG ' ' A' ' 47' ' ' LEU . 61.8 t -84.08 95.5 3.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 178.679 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.41 HG13 ' HG2' ' A' ' 28' ' ' GLN . 36.9 pt -77.26 -19.92 14.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.152 -170.104 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.742 ' HB2' ' HB3' ' A' ' 46' ' ' HIS . 24.4 mm-40 -134.33 135.81 43.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.0 0.429 . . . . 0.0 111.563 -178.145 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.452 ' HB ' ' HG3' ' A' ' 77' ' ' PRO . 42.5 t -116.65 115.17 48.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 172.149 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -127.3 141.62 51.66 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.494 0.664 . . . . 0.0 111.992 -173.602 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 53.8 tp -94.88 125.74 39.75 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.602 -179.349 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.422 ' HB3' ' HB3' ' A' ' 42' ' ' ALA . 42.8 tt0 -90.87 113.41 25.59 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.314 173.844 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -79.65 138.91 37.53 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.955 -175.091 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.671 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . . . -75.37 -4.48 39.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.489 -178.463 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -133.9 -15.51 2.33 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.853 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -75.98 -87.9 0.29 Allowed Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.827 -176.375 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -96.7 2.33 51.95 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 122.743 -0.269 . . . . 0.0 111.44 -177.205 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.7 t -159.17 178.87 9.55 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 -175.246 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 11.3 p-80 -108.01 13.21 26.3 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.078 0.466 . . . . 0.0 110.37 177.03 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -135.84 131.37 35.27 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 -176.214 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.671 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 36.1 tt0 -86.69 125.98 34.24 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.596 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -143.54 161.97 37.09 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.122 0.487 . . . . 0.0 111.04 -178.111 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.532 ' CB ' ' HG ' ' A' ' 61' ' ' LEU . 59.7 m-85 -118.22 105.92 12.29 Favored 'General case' 0 C--N 1.314 -0.949 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 173.761 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 26.0 t -102.87 129.37 54.64 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.969 0 CA-C-O 121.311 0.577 . . . . 0.0 110.698 -172.535 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.555 HD12 HD12 ' A' ' 18' ' ' LEU . 72.8 mt -101.78 121.22 41.67 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.915 -179.26 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.742 ' HB3' ' HB2' ' A' ' 28' ' ' GLN . 64.7 t60 -108.98 110.07 21.27 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.282 -170.641 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.597 ' HG ' HG22 ' A' ' 26' ' ' VAL . 4.6 mp -93.87 166.69 12.06 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.19 177.597 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -77.48 -5.19 49.08 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.184 0.516 . . . . 0.0 110.838 -176.462 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -121.96 -11.1 8.56 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.88 -177.481 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -175.36 177.98 1.75 Allowed 'General case' 0 N--CA 1.463 0.178 0 C-N-CA 121.204 -0.199 . . . . 0.0 110.9 -170.34 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 17.9 m -140.01 136.95 34.24 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 177.397 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.407 HG21 HD21 ' A' ' 18' ' ' LEU . 64.3 mt -116.97 138.79 46.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 179.485 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.6 ' SG ' HD23 ' A' ' 13' ' ' LEU . 35.7 t -102.49 120.59 40.78 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.016 0.436 . . . . 0.0 110.407 -174.522 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.449 ' HB ' ' O ' ' A' ' 43' ' ' PHE . 1.6 mt -115.03 143.42 24.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.542 0.687 . . . . 0.0 111.475 -176.538 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.505 ' O ' ' HB2' ' A' ' 58' ' ' ASN . 40.8 t-80 -83.58 139.78 41.15 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.999 179.255 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.596 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 18.3 Cg_endo -60.56 153.04 64.09 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.252 1.968 . . . . 0.0 111.459 176.007 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.458 ' HB2' ' O ' ' A' ' 56' ' ' PRO . 79.0 mt-30 71.17 9.26 6.62 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 122.677 0.391 . . . . 0.0 111.612 -176.85 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.505 ' HB2' ' O ' ' A' ' 55' ' ' HIS . 3.6 m120 -87.74 126.1 62.75 Favored Pre-proline 0 C--O 1.234 0.274 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 172.353 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 58' ' ' ASN . 58.6 Cg_exo -52.34 -35.3 64.1 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 123.305 2.67 . . . . 0.0 112.822 -176.447 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.514 ' HB2' ' HA ' ' A' ' 17' ' ' PRO . 31.8 t -58.63 -28.92 66.11 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.272 -0.422 . . . . 0.0 112.068 -176.234 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.532 ' HG ' ' CB ' ' A' ' 43' ' ' PHE . 0.6 OUTLIER -80.63 -47.17 14.5 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.123 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 32.8 t -62.91 -45.94 90.13 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.103 0.478 . . . . 0.0 110.303 -179.086 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -64.45 -27.15 68.79 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.22 177.746 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.467 ' CZ3' ' HB3' ' A' ' 23' ' ' LEU . 11.4 t-105 -71.32 -33.38 69.6 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.696 177.563 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -60.26 -36.37 77.64 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.255 -0.578 . . . . 0.0 110.381 174.628 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.426 ' O ' ' HB3' ' A' ' 69' ' ' GLU . 75.3 mm-40 -73.52 -43.47 59.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.301 175.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.58 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 10.3 m170 -71.19 -37.54 72.13 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.353 -177.731 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.453 ' HG2' HD22 ' A' ' 72' ' ' LEU . 0.5 OUTLIER -60.07 -41.14 91.78 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.102 0.477 . . . . 0.0 109.928 175.831 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.426 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 4.6 tp10 -53.66 -35.15 60.71 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.19 -0.914 . . . . 0.0 110.618 176.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.3 ptp180 -113.63 31.5 6.46 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.458 -176.429 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.696 ' HD3' ' HB3' ' A' ' 24' ' ' ARG . 7.3 ttmm -154.92 -163.31 1.54 Allowed 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.701 -0.227 . . . . 0.0 110.666 -176.12 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.504 HD21 ' O ' ' A' ' 26' ' ' VAL . 6.8 mp 60.43 -81.74 0.02 OUTLIER 'General case' 0 C--N 1.344 0.343 0 N-CA-C 113.991 1.108 . . . . 0.0 113.991 179.463 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 5.9 t-80 177.97 -26.69 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 -164.343 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 119.66 0.49 13.7 Favored Glycine 0 N--CA 1.448 -0.511 0 N-CA-C 110.295 -1.122 . . . . 0.0 110.295 -171.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 16.5 p -76.56 118.16 18.93 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 114.883 -0.659 . . . . 0.0 110.254 178.728 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.534 ' C ' HD12 ' A' ' 76' ' ' LEU . 4.0 pp -143.64 151.93 55.0 Favored Pre-proline 0 C--N 1.315 -0.907 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.851 -173.643 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.452 ' HG3' ' HB ' ' A' ' 29' ' ' VAL . 98.2 Cg_endo -82.63 139.3 9.98 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 122.515 2.143 . . . . 0.0 113.132 -176.444 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -87.95 65.72 8.39 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.931 -177.628 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.1 pp -128.0 14.41 6.82 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.155 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 9.5 t30 50.23 88.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.606 -1.179 . . . . 0.0 111.522 -177.187 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.523 ' HE2' HD13 ' A' ' 76' ' ' LEU . 6.2 p90 -90.9 8.01 37.17 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.286 -179.164 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -69.36 -12.65 66.6 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 121.038 -0.601 . . . . 0.0 111.856 177.585 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.64 0.96 40.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.64 0.257 . . . . 0.0 111.082 179.146 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 50.8 tp -132.39 -27.91 1.72 Allowed 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -176.164 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 65.2 mtp180 -60.11 120.76 10.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.123 0.487 . . . . 0.0 111.912 -175.027 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.471 ' HD2' ' HA ' ' A' ' 86' ' ' LYS . 18.0 tptm 65.73 15.17 9.93 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 114.716 -1.129 . . . . 0.0 110.404 178.278 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 65.5 mtt -107.59 -10.28 15.71 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.327 -0.852 . . . . 0.0 109.796 177.388 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.115 -1.38 . . . . 0.0 110.834 177.959 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 38.3 t80 . . . . . 0 N--CA 1.478 0.975 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.507 ' O ' ' HD3' ' A' ' 4' ' ' PRO . 7.8 tt -76.88 129.21 35.9 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.293 175.03 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -79.15 107.71 6.81 Favored Pre-proline 0 C--N 1.323 -0.548 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 176.162 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.698 ' HB2' ' HB ' ' A' ' 7' ' ' THR . 19.9 Cg_exo -64.96 143.01 77.65 Favored 'Trans proline' 0 C--O 1.233 0.268 0 C-N-CA 122.739 2.292 . . . . 0.0 112.405 -178.334 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 4' ' ' PRO . 52.7 Cg_exo -55.25 133.29 57.25 Favored 'Trans proline' 0 C--O 1.236 0.403 0 C-N-CA 122.828 2.352 . . . . 0.0 111.643 177.547 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.5 p 53.85 26.56 6.25 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 123.519 0.728 . . . . 0.0 111.543 -179.267 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.698 ' HB ' ' HB2' ' A' ' 4' ' ' PRO . 31.2 m -132.9 85.4 2.22 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.708 176.731 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.467 ' O ' ' HG3' ' A' ' 32' ' ' GLN . . . -80.77 88.22 5.82 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.4 179.733 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 82.8 m -131.63 106.05 7.92 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.622 177.45 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.507 ' HB2' HE22 ' A' ' 32' ' ' GLN . 97.4 m -110.04 118.77 37.32 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.97 -175.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.8 p -105.07 1.65 28.71 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.64 0.733 . . . . 0.0 109.549 168.427 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.36 158.89 43.51 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.586 -178.611 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.538 HD13 ' HB3' ' A' ' 55' ' ' HIS . 87.1 mt -137.02 153.42 50.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.194 -178.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 56.9 t80 -81.43 -37.86 27.39 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 177.284 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 91.0 mtt180 74.39 -40.39 0.45 Allowed 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.811 0.844 . . . . 0.0 112.507 173.478 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.2 mptp? -79.23 162.33 64.46 Favored Pre-proline 0 C--N 1.324 -0.512 0 C-N-CA 122.349 0.26 . . . . 0.0 111.037 178.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -74.83 158.82 42.59 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.494 2.129 . . . . 0.0 112.498 176.299 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.776 ' HB3' HD11 ' A' ' 22' ' ' LEU . 89.8 mt -103.42 146.1 28.99 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.152 -177.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.663 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 13.6 m -76.14 143.79 40.99 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.479 178.413 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.507 ' HA ' HD12 ' A' ' 23' ' ' LEU . 12.4 t70 -62.65 -28.9 70.24 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 120.83 0.348 . . . . 0.0 110.948 -177.492 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.549 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 57.7 mtpt -57.03 -46.74 82.15 Favored 'General case' 0 C--O 1.227 -0.122 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.214 176.699 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.776 HD11 ' HB3' ' A' ' 18' ' ' LEU . 4.4 pp -75.01 -27.67 60.21 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.611 -0.435 . . . . 0.0 110.291 178.562 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.657 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 77.6 mt -65.02 -40.01 94.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.023 -178.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.592 ' HB3' ' HD3' ' A' ' 71' ' ' LYS . 19.3 ptp180 -72.05 3.9 4.0 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.339 0.59 . . . . 0.0 111.079 179.431 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.412 ' HE2' ' HA ' ' A' ' 22' ' ' LEU . 54.8 mtmt -116.18 6.55 13.93 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.95 178.09 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.745 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 47.1 t -76.54 152.71 5.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 175.08 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.522 HD13 ' HA ' ' A' ' 48' ' ' ALA . 30.1 pt -123.58 -31.75 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 C-N-CA 120.866 -0.334 . . . . 0.0 111.321 179.325 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.454 ' HB2' ' HB3' ' A' ' 46' ' ' HIS . 84.4 mm-40 -139.13 152.63 47.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.172 0.51 . . . . 0.0 111.605 -175.719 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 86.8 t -123.96 134.52 66.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 174.448 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.55 ' HG3' ' HB ' ' A' ' 44' ' ' VAL . 1.5 pt-20 -136.0 141.74 44.4 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.268 0.556 . . . . 0.0 112.03 -174.424 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 50.7 tp -107.66 115.67 30.56 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.94 176.74 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.507 HE22 ' HB2' ' A' ' 10' ' ' CYS . 8.5 tt0 -73.56 104.55 4.56 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 176.436 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -74.21 123.95 25.46 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 175.265 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.417 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . . . -70.88 30.05 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 114.434 1.272 . . . . 0.0 114.434 -163.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -177.2 -39.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.602 0.239 . . . . 0.0 111.278 -178.428 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -59.63 -29.69 67.42 Favored Glycine 0 C--O 1.235 0.163 0 CA-C-N 116.078 -0.51 . . . . 0.0 113.272 -177.701 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -127.16 -51.09 1.42 Allowed 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 177.621 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 6.5 m -149.51 161.89 41.23 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.151 176.341 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.488 ' O ' ' HB3' ' A' ' 40' ' ' LEU . 11.5 p-80 -72.88 165.42 24.96 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 110.473 -0.195 . . . . 0.0 110.473 179.597 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.488 ' HB3' ' O ' ' A' ' 39' ' ' HIS . 55.9 tp 73.74 132.5 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.448 0 O-C-N 123.972 0.795 . . . . 0.0 110.705 -176.854 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.417 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 53.3 tt0 -100.55 134.51 43.4 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.603 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.559 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -155.04 148.34 24.99 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.995 0.426 . . . . 0.0 112.112 -178.252 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -97.73 107.58 20.1 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.403 -0.817 . . . . 0.0 108.914 172.014 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.55 ' HB ' ' HG3' ' A' ' 30' ' ' GLU . 48.6 t -106.34 134.7 47.17 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.052 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.95 -172.436 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.552 HD12 HD12 ' A' ' 18' ' ' LEU . 67.7 mt -105.6 119.65 39.66 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.842 -178.244 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.454 ' HB3' ' HB2' ' A' ' 28' ' ' GLN . 1.7 t60 -104.16 107.09 17.83 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.586 -172.167 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.745 ' HA ' ' HA ' ' A' ' 26' ' ' VAL . 6.9 mp -87.53 167.75 13.67 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.035 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.522 ' HA ' HD13 ' A' ' 27' ' ' ILE . . . -62.22 -26.42 68.36 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.161 0.505 . . . . 0.0 111.295 -177.352 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.42 ' NE2' ' HG3' ' A' ' 50' ' ' ARG . 0.0 OUTLIER -134.94 9.96 3.58 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.412 -178.273 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.55 ' HB2' ' HB2' ' A' ' 47' ' ' LEU . 65.9 mtt180 -146.5 170.22 17.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.041 0.448 . . . . 0.0 111.436 -175.661 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 41.8 m -151.92 122.79 7.52 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.321 173.023 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.595 HG21 HD21 ' A' ' 18' ' ' LEU . 3.7 mp -117.61 130.62 72.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 179.633 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.453 ' SG ' HG22 ' A' ' 44' ' ' VAL . 30.1 t -102.77 121.52 42.64 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.289 0.566 . . . . 0.0 110.237 -177.634 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.401 HG21 ' HB2' ' A' ' 61' ' ' LEU . 28.3 mt -121.37 136.94 56.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.34 -177.691 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.538 ' HB3' HD13 ' A' ' 13' ' ' LEU . 7.3 p80 -76.72 151.12 82.34 Favored Pre-proline 0 C--N 1.327 -0.405 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 177.815 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.559 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 31.9 Cg_exo -57.64 152.67 47.15 Favored 'Trans proline' 0 CA--C 1.528 0.212 0 C-N-CA 122.638 2.225 . . . . 0.0 112.217 -179.39 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 64.88 70.29 0.48 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.849 0.833 . . . . 0.0 110.24 -175.632 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -139.26 132.95 15.86 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.624 179.355 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.591 ' O ' ' HG3' ' A' ' 63' ' ' GLN . 5.4 Cg_endo -47.95 -52.12 8.76 Favored 'Trans proline' 0 N--CA 1.462 -0.344 0 C-N-CA 123.342 2.695 . . . . 0.0 112.547 -179.789 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 12.8 t -62.91 -39.35 94.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.751 0.31 . . . . 0.0 110.973 -175.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.434 HD22 ' HA ' ' A' ' 61' ' ' LEU . 0.6 OUTLIER -66.17 -46.68 76.56 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.844 -179.55 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 60.8 m -62.54 -45.07 94.64 Favored 'General case' 0 C--O 1.243 0.731 0 CA-C-O 121.341 0.591 . . . . 0.0 111.026 177.26 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.591 ' HG3' ' O ' ' A' ' 59' ' ' PRO . 45.3 mt-30 -56.99 -39.52 74.83 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.095 176.828 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.657 ' CZ3' ' HB3' ' A' ' 23' ' ' LEU . 22.8 t-105 -68.0 -31.36 71.0 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.241 -177.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.479 ' HA ' HE21 ' A' ' 68' ' ' GLN . 10.0 m-30 -52.99 -54.39 35.9 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-O 121.189 0.519 . . . . 0.0 110.208 175.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.404 ' O ' ' HG2' ' A' ' 70' ' ' ARG . 37.8 mt-10 -74.8 -35.28 62.49 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.279 -179.446 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.428 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 7.6 m170 -68.35 -41.67 80.35 Favored 'General case' 0 C--O 1.223 -0.308 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.682 -178.371 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.479 HE21 ' HA ' ' A' ' 65' ' ' PHE . 29.7 pt20 -64.64 -33.21 75.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.93 0.395 . . . . 0.0 110.449 -179.158 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -64.07 -28.91 70.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.352 179.491 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.404 ' HG2' ' O ' ' A' ' 66' ' ' GLU . 15.9 ptm180 -114.2 25.71 10.88 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.655 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.592 ' HD3' ' HB3' ' A' ' 24' ' ' ARG . 10.0 ttmm -145.74 -171.31 3.66 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 -178.791 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.597 HD23 HD21 ' A' ' 76' ' ' LEU . 6.7 mp 58.31 -81.25 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 112.608 0.595 . . . . 0.0 112.608 -176.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 13.2 t-80 -175.38 -22.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.69 -172.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 99.38 -14.09 61.09 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.814 -0.708 . . . . 0.0 111.448 -178.093 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 12.7 p -84.08 93.48 8.12 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-O 121.15 0.5 . . . . 0.0 110.843 179.042 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.597 HD21 HD23 ' A' ' 72' ' ' LEU . 66.6 mt -144.31 162.33 40.35 Favored Pre-proline 0 N--CA 1.441 -0.913 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 -174.44 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_exo -44.24 125.05 5.44 Favored 'Trans proline' 0 N--CA 1.462 -0.339 0 C-N-CA 123.079 2.519 . . . . 0.0 112.249 169.309 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 83.9 mttt -85.64 50.23 1.92 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.676 0.751 . . . . 0.0 110.198 -175.356 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.403 ' H ' ' HG ' ' A' ' 79' ' ' LEU . 2.5 pp -90.72 33.81 0.92 Allowed 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 114.668 -1.151 . . . . 0.0 111.439 -175.018 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 72.28 12.24 5.78 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-O 122.491 1.139 . . . . 0.0 108.916 -178.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.486 ' HB2' HH11 ' A' ' 85' ' ' ARG . 14.8 m-85 47.89 33.13 3.11 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 113.524 -1.671 . . . . 0.0 112.334 -177.414 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.46 ' O ' HD13 ' A' ' 84' ' ' LEU . . . 155.17 -29.25 0.64 Allowed Glycine 0 N--CA 1.439 -1.135 0 C-N-CA 120.392 -0.908 . . . . 0.0 112.461 178.647 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 38.1 mtm 71.93 -53.53 0.69 Allowed 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 123.637 0.775 . . . . 0.0 110.864 -176.786 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.794 ' HA ' ' HB3' ' A' ' 87' ' ' MET . 0.0 OUTLIER -100.52 3.56 42.91 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 115.087 -0.961 . . . . 0.0 112.235 -177.208 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.486 HH11 ' HB2' ' A' ' 81' ' ' PHE . 7.0 ptm180 -70.66 110.52 5.53 Favored 'General case' 0 CA--C 1.52 -0.209 0 C-N-CA 120.439 -0.504 . . . . 0.0 110.232 -178.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 66.8 mmtt 70.49 8.81 6.74 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 114.785 -1.098 . . . . 0.0 110.236 -174.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.794 ' HB3' ' HA ' ' A' ' 84' ' ' LEU . 51.0 tpp -99.27 -30.25 12.35 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.999 -179.393 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.867 -0.963 . . . . 0.0 111.331 178.951 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 38.0 t80 . . . . . 0 N--CA 1.477 0.921 0 CA-C-O 121.071 0.462 . . . . 0.0 110.189 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.418 ' O ' ' HD3' ' A' ' 4' ' ' PRO . 4.5 pp -148.49 145.79 28.09 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 177.128 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -75.91 110.75 11.77 Favored Pre-proline 0 C--N 1.321 -0.646 0 N-CA-C 110.164 -0.31 . . . . 0.0 110.164 176.466 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.841 ' HB2' ' HB ' ' A' ' 7' ' ' THR . 21.6 Cg_exo -64.6 138.77 60.74 Favored 'Trans proline' 0 CA--C 1.53 0.302 0 C-N-CA 122.989 2.46 . . . . 0.0 112.441 -177.87 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.442 ' HA ' ' CE1' ' A' ' 46' ' ' HIS . 50.4 Cg_exo -54.7 121.87 10.58 Favored 'Trans proline' 0 C--O 1.235 0.332 0 C-N-CA 123.244 2.629 . . . . 0.0 112.577 179.61 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.6 m 69.79 4.29 4.68 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.177 178.483 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.841 ' HB ' ' HB2' ' A' ' 4' ' ' PRO . 3.0 m -122.52 35.64 4.83 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 122.152 0.977 . . . . 0.0 108.532 177.22 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.56 118.69 15.78 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 114.238 -1.346 . . . . 0.0 109.558 -177.675 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 36.4 t -131.14 74.76 1.61 Allowed 'General case' 0 C--N 1.31 -1.147 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -179.481 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 63.7 m -88.42 123.33 32.86 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 114.15 -1.386 . . . . 0.0 111.627 -171.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 15.7 p -99.43 10.76 40.78 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.9 0.857 . . . . 0.0 108.69 169.453 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.427 HE21 ' HB2' ' A' ' 12' ' ' GLN . 0.0 OUTLIER -120.6 126.66 50.86 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 114.605 -1.179 . . . . 0.0 109.142 -178.839 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.482 HD13 ' HB2' ' A' ' 55' ' ' HIS . 87.0 mt -111.73 110.84 21.42 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 120.894 0.378 . . . . 0.0 110.678 179.186 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.672 ' CE2' ' HB2' ' A' ' 16' ' ' LYS . 27.9 t80 -65.95 -54.0 31.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.126 -178.541 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 50.0 mtp180 71.86 -13.45 0.58 Allowed 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 171.286 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.672 ' HB2' ' CE2' ' A' ' 14' ' ' TYR . 46.2 mmtm -72.33 145.91 88.63 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-O 120.529 0.204 . . . . 0.0 110.529 179.177 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.534 ' HA ' ' HB3' ' A' ' 60' ' ' SER . 19.4 Cg_exo -65.92 114.0 2.8 Favored 'Trans proline' 0 N--CA 1.461 -0.396 0 C-N-CA 122.606 2.204 . . . . 0.0 111.127 175.102 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.777 HD12 HD12 ' A' ' 45' ' ' LEU . 71.7 mt -75.56 146.34 40.53 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.085 0.469 . . . . 0.0 110.967 -178.254 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.647 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 16.6 m -78.11 138.51 38.77 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.967 -178.118 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.633 ' OD1' ' HE3' ' A' ' 71' ' ' LYS . 29.0 t70 -59.05 -33.07 70.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.509 -176.271 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.431 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 97.2 mttt -58.87 -47.09 86.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.157 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.647 ' HG ' ' O ' ' A' ' 19' ' ' SER . 4.5 pp -74.84 -27.95 60.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.691 0.282 . . . . 0.0 110.548 177.614 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' A' ' 19' ' ' SER . 60.9 mt -63.46 -48.04 79.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.771 -177.155 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.679 ' HB3' ' HD3' ' A' ' 71' ' ' LYS . 16.3 ptm180 -55.14 -21.24 12.55 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 120.927 0.394 . . . . 0.0 111.924 179.588 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.433 ' HE3' ' HA ' ' A' ' 22' ' ' LEU . 48.8 mtmt -93.64 10.98 30.52 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.113 0.482 . . . . 0.0 111.582 -178.436 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.638 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 6.4 t -74.17 129.67 36.36 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.869 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 171.682 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.556 HD13 ' HA ' ' A' ' 48' ' ' ALA . 19.9 pt -94.34 -30.68 4.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.242 -175.294 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 72.8 mm-40 -152.94 157.02 40.0 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.25 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 40.4 t -116.59 120.07 63.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 174.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.466 ' HG3' ' HB ' ' A' ' 44' ' ' VAL . 3.4 pt-20 -107.42 131.94 53.73 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.231 0.538 . . . . 0.0 110.962 -175.345 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 55.0 tp -102.18 116.24 32.25 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.552 -178.291 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.401 ' HB3' ' H ' ' A' ' 42' ' ' ALA . 18.4 tt0 -87.38 110.88 20.57 Favored 'General case' 0 C--N 1.314 -0.975 0 N-CA-C 108.183 -1.044 . . . . 0.0 108.183 173.776 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.496 ' OE1' ' HA3' ' A' ' 36' ' ' GLY . 80.1 mt-10 -67.31 164.34 18.66 Favored 'General case' 0 C--N 1.318 -0.766 0 C-N-CA 121.061 -0.256 . . . . 0.0 110.355 -177.513 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.31 -11.38 60.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.809 0.337 . . . . 0.0 111.55 -172.162 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.499 ' HA ' ' HA ' ' A' ' 39' ' ' HIS . 14.9 t70 -175.62 25.08 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.25 -1.018 . . . . 0.0 108.25 -177.245 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.496 ' HA3' ' OE1' ' A' ' 33' ' ' GLU . . . -117.18 95.05 0.65 Allowed Glycine 0 N--CA 1.446 -0.689 0 CA-C-N 114.978 -1.01 . . . . 0.0 111.156 -177.53 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 36.7 t70 99.95 -38.35 0.01 OUTLIER 'General case' 0 CA--C 1.506 -0.747 0 C-N-CA 125.815 1.646 . . . . 0.0 107.022 -175.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 74.1 m -153.61 158.32 40.97 Favored 'General case' 0 N--CA 1.442 -0.862 0 CA-C-N 113.687 -1.597 . . . . 0.0 109.46 173.768 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.499 ' HA ' ' HA ' ' A' ' 35' ' ' ASP . 13.1 p-80 -79.06 164.01 24.68 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 171.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.406 ' HB3' ' O ' ' A' ' 39' ' ' HIS . 2.1 tm? 75.03 105.31 0.07 Allowed 'General case' 0 N--CA 1.467 0.382 0 O-C-N 123.951 0.782 . . . . 0.0 110.17 179.134 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -75.54 132.61 40.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.69 -178.664 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.565 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -144.63 137.26 26.55 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.248 -178.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.652 ' HB3' ' HG ' ' A' ' 61' ' ' LEU . 4.8 m-85 -94.02 104.19 16.24 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 171.218 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.466 ' HB ' ' HG3' ' A' ' 30' ' ' GLU . 60.6 t -106.68 128.12 61.61 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-O 121.278 0.561 . . . . 0.0 111.065 -172.272 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.777 HD12 HD12 ' A' ' 18' ' ' LEU . 66.8 mt -95.1 123.57 38.67 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.291 -177.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.442 ' CE1' ' HA ' ' A' ' 5' ' ' PRO . 5.0 t60 -103.34 99.25 9.09 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.575 -173.791 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.638 ' HA ' ' HA ' ' A' ' 26' ' ' VAL . 6.8 mp -76.48 164.87 25.55 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 173.222 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.556 ' HA ' HD13 ' A' ' 27' ' ' ILE . . . -64.03 -14.21 52.55 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.794 0.331 . . . . 0.0 111.761 -178.143 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -108.26 -34.74 6.73 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.555 -176.434 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' A' ' 50' ' ' ARG . 0.0 OUTLIER -166.98 165.58 15.79 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.72 0.295 . . . . 0.0 111.517 -176.942 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 67.4 m -98.25 145.32 26.76 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 178.435 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.505 HG21 HD21 ' A' ' 18' ' ' LEU . 67.6 mt -117.52 125.97 74.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 173.303 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.463 ' HA ' HG22 ' A' ' 44' ' ' VAL . 6.2 m -100.64 120.96 40.83 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.311 0.577 . . . . 0.0 110.376 -170.034 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 59.3 mt -124.25 139.38 50.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.396 -173.514 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.504 ' O ' ' HB2' ' A' ' 58' ' ' ASN . 50.6 t-80 -74.19 135.94 76.12 Favored Pre-proline 0 C--N 1.325 -0.46 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 173.469 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.565 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 68.5 Cg_exo -53.65 168.16 0.8 Allowed 'Trans proline' 0 CA--C 1.531 0.326 0 C-N-CA 122.937 2.424 . . . . 0.0 112.602 177.034 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.407 ' HB2' ' O ' ' A' ' 56' ' ' PRO . 31.1 mm-40 69.81 -1.13 2.43 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 122.851 0.461 . . . . 0.0 111.711 -177.427 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.504 ' HB2' ' O ' ' A' ' 55' ' ' HIS . 1.9 t-20 -80.31 127.34 76.62 Favored Pre-proline 0 C--N 1.329 -0.323 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_endo -49.81 -33.61 33.38 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 123.712 2.941 . . . . 0.0 112.882 -176.086 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.534 ' HB3' ' HA ' ' A' ' 17' ' ' PRO . 49.4 p -57.85 -48.48 79.66 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.453 -179.075 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.652 ' HG ' ' HB3' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -70.2 -41.65 73.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.028 -176.938 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 35.6 t -60.99 -48.97 79.38 Favored 'General case' 0 C--O 1.24 0.554 0 CA-C-O 121.231 0.539 . . . . 0.0 110.667 179.405 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -63.93 -30.81 71.86 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.24 177.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.499 ' CZ3' ' HB3' ' A' ' 23' ' ' LEU . 18.6 t-105 -70.42 -32.88 70.67 Favored 'General case' 0 C--O 1.219 -0.516 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.932 178.239 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.467 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 7.1 m-85 -54.85 -45.37 74.53 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.13 0.491 . . . . 0.0 110.425 174.593 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.442 ' OE1' ' HD2' ' A' ' 85' ' ' ARG . 5.9 mm-40 -71.44 -46.08 60.97 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.578 0.704 . . . . 0.0 111.064 177.754 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -67.7 -32.88 73.82 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.923 -176.204 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.467 ' HG2' ' O ' ' A' ' 65' ' ' PHE . 12.3 pt20 -70.43 -29.33 65.89 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 179.104 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -63.57 -27.26 69.13 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.063 0.458 . . . . 0.0 110.22 177.742 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -108.42 15.09 24.23 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 179.547 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.679 ' HD3' ' HB3' ' A' ' 24' ' ' ARG . 54.4 mttm -136.4 -159.9 1.0 Allowed 'General case' 0 N--CA 1.467 0.38 0 O-C-N 122.37 -0.206 . . . . 0.0 110.838 177.415 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.48 HD11 ' CZ2' ' A' ' 64' ' ' TRP . 7.3 mp 57.13 -83.47 0.02 OUTLIER 'General case' 0 C--N 1.343 0.298 0 O-C-N 123.522 0.514 . . . . 0.0 111.645 -174.303 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.445 ' HB3' ' OG1' ' A' ' 75' ' ' THR . 59.2 t-80 -172.35 -5.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.582 -177.693 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.424 ' H ' ' H ' ' A' ' 73' ' ' HIS . . . 97.36 -8.72 64.65 Favored Glycine 0 N--CA 1.448 -0.561 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 -170.122 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.445 ' OG1' ' HB3' ' A' ' 73' ' ' HIS . 0.6 OUTLIER -78.84 107.07 11.29 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.132 -0.534 . . . . 0.0 111.129 178.847 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 80.3 mt -132.74 147.55 65.96 Favored Pre-proline 0 C--N 1.32 -0.695 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -83.29 179.65 4.92 Favored 'Trans proline' 0 N--CA 1.454 -0.814 0 C-N-CA 122.565 2.176 . . . . 0.0 111.529 178.649 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.455 ' HA ' ' HD2' ' A' ' 78' ' ' LYS . 36.4 tptt -88.32 60.72 5.85 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.633 0.73 . . . . 0.0 109.353 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.464 HD23 ' H ' ' A' ' 79' ' ' LEU . 2.4 pt? -87.77 19.19 3.59 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.909 -1.041 . . . . 0.0 110.944 -178.485 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 65.0 m-20 58.37 68.17 0.86 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.877 -1.056 . . . . 0.0 110.817 -177.466 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 15.0 p90 -84.06 20.55 1.53 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.938 -179.49 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -131.88 47.83 0.99 Allowed Glycine 0 N--CA 1.445 -0.745 0 C-N-CA 121.04 -0.6 . . . . 0.0 111.752 178.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.444 ' HG3' ' HG ' ' A' ' 84' ' ' LEU . 27.4 ptt? -144.34 4.43 1.21 Allowed 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.5 0.185 . . . . 0.0 111.5 178.546 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.444 ' HG ' ' HG3' ' A' ' 83' ' ' MET . 0.2 OUTLIER -161.76 10.04 0.08 Allowed 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 113.522 0.934 . . . . 0.0 113.522 -176.273 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.463 ' HG2' ' HB3' ' A' ' 65' ' ' PHE . 31.6 mtm180 -92.62 111.26 22.8 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.006 -0.677 . . . . 0.0 110.825 -174.61 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.422 ' HE3' ' HB2' ' A' ' 86' ' ' LYS . 27.9 ttmt 57.5 26.81 13.14 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 122.056 0.931 . . . . 0.0 108.738 -172.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 63.06 75.69 0.39 Allowed 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 113.795 -1.548 . . . . 0.0 109.628 -172.39 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.041 0 CA-C-N 114.287 -1.324 . . . . 0.0 110.527 -178.754 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 83.6 t80 . . . . . 0 N--CA 1.477 0.908 0 CA-C-O 120.941 0.401 . . . . 0.0 110.206 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.9 pp -130.27 144.4 51.35 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 174.741 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.516 ' HB2' ' O ' ' A' ' 51' ' ' SER . 3.5 mm? -66.29 114.67 17.98 Favored Pre-proline 0 N--CA 1.447 -0.602 0 CA-C-O 120.815 0.34 . . . . 0.0 110.517 178.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.862 ' HB2' ' HB ' ' A' ' 7' ' ' THR . 32.0 Cg_exo -57.7 131.04 41.76 Favored 'Trans proline' 0 N--CA 1.461 -0.441 0 C-N-CA 122.714 2.276 . . . . 0.0 111.491 179.732 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 4' ' ' PRO . 74.8 Cg_exo -50.24 114.36 1.39 Allowed 'Trans proline' 0 C--N 1.343 0.263 0 C-N-CA 123.171 2.581 . . . . 0.0 113.047 -176.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.1 m 68.34 5.67 4.88 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.506 -0.77 . . . . 0.0 112.213 176.372 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.862 ' HB ' ' HB2' ' A' ' 4' ' ' PRO . 27.2 m -95.31 87.8 4.94 Favored 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 172.186 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.489 ' O ' ' HG3' ' A' ' 32' ' ' GLN . . . -79.24 86.6 5.0 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.905 -169.591 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.478 ' HA ' ' OE1' ' A' ' 32' ' ' GLN . 38.5 t -142.84 111.51 6.32 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 173.41 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.7 t -112.69 118.18 34.31 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.916 -173.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.5 t -113.53 11.51 18.36 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.091 176.772 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -163.58 119.59 1.7 Allowed 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.347 179.199 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.478 HD23 ' SG ' ' A' ' 53' ' ' CYS . 88.6 mt -86.47 140.43 29.96 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.486 -179.443 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.411 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 51.9 t80 -70.15 -38.45 75.48 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 175.309 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.411 ' HB2' ' O ' ' A' ' 14' ' ' TYR . 44.5 mtm180 74.25 -51.21 0.69 Allowed 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 115.319 -0.855 . . . . 0.0 112.878 174.002 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -67.99 148.72 98.38 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-O 120.699 0.285 . . . . 0.0 111.228 179.077 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -63.9 125.87 16.21 Favored 'Trans proline' 0 C--O 1.235 0.361 0 C-N-CA 122.684 2.256 . . . . 0.0 111.727 175.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.738 HD12 HD12 ' A' ' 45' ' ' LEU . 56.4 mt -65.26 135.21 55.1 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.071 0.462 . . . . 0.0 110.706 179.527 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.2 m -68.81 150.64 47.61 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.099 -177.561 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.448 ' HA ' ' HB2' ' A' ' 23' ' ' LEU . 7.9 t70 -56.49 -30.11 62.58 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.256 0.55 . . . . 0.0 110.49 -178.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.461 ' O ' ' HE2' ' A' ' 25' ' ' LYS . 67.4 mmtt -55.1 -46.61 75.54 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.088 -0.96 . . . . 0.0 110.653 178.027 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.94 -38.29 66.86 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 -179.724 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.448 ' HB2' ' HA ' ' A' ' 20' ' ' ASP . 5.4 mp -57.67 -45.82 85.07 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.747 -1.115 . . . . 0.0 112.176 -174.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.1 ptp180 -70.28 -4.97 24.47 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.192 0.52 . . . . 0.0 111.328 -179.318 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.461 ' HE2' ' O ' ' A' ' 21' ' ' LYS . 53.7 mtmt -111.84 2.15 16.92 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.945 -178.459 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.741 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 45.6 t -76.76 150.76 5.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 108.693 -0.855 . . . . 0.0 108.693 174.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 14.0 pt -127.96 -19.68 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 C-N-CA 121.015 -0.274 . . . . 0.0 111.64 179.586 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.668 ' HB2' ' HB3' ' A' ' 46' ' ' HIS . 58.6 mm-40 -148.36 155.09 40.82 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.043 0.449 . . . . 0.0 112.0 -177.63 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 45.7 t -114.16 118.88 59.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 108.72 -0.845 . . . . 0.0 108.72 172.585 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.441 ' CD ' ' HB2' ' A' ' 46' ' ' HIS . 3.5 mt-10 -113.2 155.17 25.5 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.95 0.405 . . . . 0.0 110.244 -174.099 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 62.0 tp -128.51 122.08 30.34 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.584 -179.087 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.52 ' O ' ' HA ' ' A' ' 41' ' ' GLN . 7.9 tt0 -76.79 104.02 7.06 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 173.382 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.405 ' C ' ' H ' ' A' ' 35' ' ' ASP . 29.8 mt-10 -69.7 133.32 47.39 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 176.337 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.568 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . . . -72.84 29.96 0.06 Allowed 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 113.064 0.764 . . . . 0.0 113.064 -169.112 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.405 ' H ' ' C ' ' A' ' 33' ' ' GLU . 34.0 t70 -177.82 -29.19 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.052 178.028 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -60.42 -28.58 67.53 Favored Glycine 0 C--N 1.332 0.359 0 CA-C-N 115.595 -0.73 . . . . 0.0 112.87 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -126.95 -65.03 0.98 Allowed 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 176.532 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 52.5 m -125.38 -173.87 2.92 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.175 177.392 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 73.3 m-70 -78.32 -24.5 46.59 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 -167.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.41 ' O ' ' HA ' ' A' ' 34' ' ' ALA . 1.1 pt? -110.04 172.7 6.71 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.446 -0.501 . . . . 0.0 111.623 -175.07 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.568 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 55.0 tt0 -114.38 141.75 47.23 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.326 179.02 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.733 ' HA ' ' HG3' ' A' ' 56' ' ' PRO . . . -156.7 150.05 24.31 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.744 178.479 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.465 ' CB ' ' HG ' ' A' ' 61' ' ' LEU . 10.0 m-85 -93.23 118.67 31.52 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 173.461 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 61.3 t -117.83 129.86 73.59 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.138 -172.477 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.738 HD12 HD12 ' A' ' 18' ' ' LEU . 51.2 mt -98.39 127.35 44.29 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.078 0.466 . . . . 0.0 111.072 -178.318 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.668 ' HB3' ' HB2' ' A' ' 28' ' ' GLN . 4.7 t60 -98.27 106.53 18.83 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.868 -177.209 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.741 ' HA ' ' HA ' ' A' ' 26' ' ' VAL . 6.6 mp -92.95 170.6 9.54 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 178.268 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.94 7.23 0.97 Allowed 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 -175.497 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -121.2 -52.99 2.05 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 175.669 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.98 178.27 9.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.296 -0.866 . . . . 0.0 110.376 -177.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.516 ' O ' ' HB2' ' A' ' 3' ' ' LEU . 61.5 m -98.11 151.6 20.22 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.036 0.446 . . . . 0.0 111.1 -179.552 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 63.7 mt -124.17 144.96 32.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 176.395 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.478 ' SG ' HD23 ' A' ' 13' ' ' LEU . 40.8 t -101.91 129.69 48.23 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.277 0.56 . . . . 0.0 111.484 -174.519 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -120.93 143.04 34.43 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.646 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.742 -178.194 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 42.8 t-80 -56.9 122.83 55.34 Favored Pre-proline 0 C--O 1.224 -0.278 0 CA-C-N 115.668 -0.697 . . . . 0.0 109.457 173.439 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.733 ' HG3' ' HA ' ' A' ' 42' ' ' ALA . 87.2 Cg_exo -44.02 -52.88 5.13 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 123.072 2.514 . . . . 0.0 113.49 -173.684 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -86.94 75.57 9.54 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.356 0.598 . . . . 0.0 110.242 174.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 47.2 t-20 -128.59 125.51 23.14 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.36 177.592 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -48.57 -36.02 30.67 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 123.07 2.513 . . . . 0.0 112.749 177.447 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.54 ' HA ' ' OE1' ' A' ' 63' ' ' GLN . 5.7 m -62.68 -32.71 73.84 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.449 -177.246 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.465 ' HG ' ' CB ' ' A' ' 43' ' ' PHE . 0.5 OUTLIER -77.31 -47.39 20.14 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 -178.867 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.0 m -61.63 -49.86 74.88 Favored 'General case' 0 C--O 1.246 0.92 0 CA-C-O 121.52 0.676 . . . . 0.0 110.678 178.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.54 ' OE1' ' HA ' ' A' ' 60' ' ' SER . 2.9 pt20 -63.59 -27.63 69.38 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.772 179.218 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 17.8 t-105 -64.3 -36.76 85.14 Favored 'General case' 0 C--O 1.219 -0.55 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.619 178.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.405 ' CE2' HD21 ' A' ' 84' ' ' LEU . 40.0 m-85 -56.68 -41.66 77.7 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.49 -0.484 . . . . 0.0 109.96 175.311 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.44 ' O ' ' HB3' ' A' ' 69' ' ' GLU . 6.5 mm-40 -71.51 -47.82 52.87 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-O 121.777 0.798 . . . . 0.0 111.162 177.434 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.436 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 13.7 m170 -71.97 -30.47 65.31 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.312 -173.432 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -68.09 -37.72 81.53 Favored 'General case' 0 CA--C 1.517 -0.303 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 175.152 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.44 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 13.7 tp10 -52.41 -35.52 52.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.092 178.196 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.429 HH11 ' HD3' ' A' ' 70' ' ' ARG . 15.1 ptt180 -114.19 32.11 6.13 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 120.571 -0.452 . . . . 0.0 111.881 176.401 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.506 ' HG2' ' H ' ' A' ' 72' ' ' LEU . 25.9 ttmt -142.95 -167.93 2.66 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 174.861 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.506 ' H ' ' HG2' ' A' ' 71' ' ' LYS . 9.6 mp 52.96 -91.61 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 121.307 0.575 . . . . 0.0 111.242 -172.254 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 27.6 t-80 -160.19 11.21 0.11 Allowed 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 177.067 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 67.75 64.61 3.09 Favored Glycine 0 N--CA 1.446 -0.634 0 N-CA-C 110.286 -1.126 . . . . 0.0 110.286 -167.422 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.3 p -137.84 106.77 5.97 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.572 0.225 . . . . 0.0 110.999 -174.053 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.586 HD12 ' HD2' ' A' ' 77' ' ' PRO . 19.2 tp -147.06 138.14 12.97 Favored Pre-proline 0 N--CA 1.448 -0.536 0 CA-C-O 120.991 0.424 . . . . 0.0 109.984 -178.074 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.586 ' HD2' HD12 ' A' ' 76' ' ' LEU . 84.6 Cg_endo -77.07 162.64 31.6 Favored 'Trans proline' 0 C--N 1.329 -0.447 0 C-N-CA 123.554 2.836 . . . . 0.0 112.251 179.329 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.447 ' HB3' ' HE2' ' A' ' 78' ' ' LYS . 33.9 mtpt -84.93 67.36 10.14 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.212 -176.024 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.486 ' HB2' ' CE2' ' A' ' 81' ' ' PHE . 0.8 OUTLIER -90.82 19.85 5.21 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.094 0.473 . . . . 0.0 110.216 176.388 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 57.61 35.24 25.51 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.987 -1.006 . . . . 0.0 110.385 -175.172 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.486 ' CE2' ' HB2' ' A' ' 79' ' ' LEU . 7.8 m-85 -65.56 -11.32 42.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.303 -176.419 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.439 ' HA2' ' HG3' ' A' ' 85' ' ' ARG . . . -74.93 -2.67 65.93 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.332 177.774 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 24.7 ptt? -64.6 -9.96 23.04 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -177.75 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.492 ' HA ' ' HB3' ' A' ' 87' ' ' MET . 1.5 pt? -149.5 8.4 0.69 Allowed 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.469 -0.492 . . . . 0.0 112.286 -179.321 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.465 ' HG3' ' O ' ' A' ' 81' ' ' PHE . 60.7 mtm180 -71.5 118.2 14.02 Favored 'General case' 0 CA--C 1.515 -0.381 0 C-N-CA 120.318 -0.553 . . . . 0.0 110.1 -178.747 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.409 ' HD2' ' HA ' ' A' ' 86' ' ' LYS . 21.6 tptm 70.14 2.3 3.9 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.791 0.805 . . . . 0.0 109.874 -177.775 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.492 ' HB3' ' HA ' ' A' ' 84' ' ' LEU . 46.6 ttm -105.95 -14.29 15.24 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.201 -0.909 . . . . 0.0 109.777 -178.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.956 0 CA-C-O 118.963 -0.91 . . . . 0.0 110.877 178.915 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 93.3 t80 . . . . . 0 N--CA 1.481 1.111 0 CA-C-O 120.577 0.227 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 51.4 tp -60.21 134.18 56.81 Favored 'General case' 0 CA--C 1.518 -0.266 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.578 ' HG ' ' SG ' ' A' ' 10' ' ' CYS . 3.8 mm? -70.21 115.58 35.85 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.986 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.594 ' HB2' ' HB ' ' A' ' 7' ' ' THR . 49.0 Cg_exo -55.01 138.81 79.27 Favored 'Trans proline' 0 N--CA 1.463 -0.308 0 C-N-CA 123.136 2.558 . . . . 0.0 112.152 -177.782 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.523 ' HA ' ' HE1' ' A' ' 46' ' ' HIS . 51.0 Cg_exo -54.02 116.86 3.32 Favored 'Trans proline' 0 C--O 1.234 0.305 0 C-N-CA 122.791 2.328 . . . . 0.0 111.995 179.582 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.402 ' HB2' ' O ' ' A' ' 5' ' ' PRO . 54.6 m 76.36 17.41 1.98 Allowed 'General case' 0 N--CA 1.465 0.291 0 O-C-N 123.974 0.796 . . . . 0.0 111.211 178.634 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.594 ' HB ' ' HB2' ' A' ' 4' ' ' PRO . 11.7 m -128.79 82.36 2.08 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 173.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -93.75 105.0 17.06 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.81 -0.632 . . . . 0.0 112.293 -171.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.429 ' HA ' ' HB2' ' A' ' 38' ' ' CYS . 49.3 t -143.9 74.29 1.42 Allowed 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 170.724 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.578 ' SG ' ' HG ' ' A' ' 3' ' ' LEU . 56.2 m -84.95 118.61 24.65 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.872 -176.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.7 p -81.29 -40.71 23.25 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-O 121.334 0.587 . . . . 0.0 109.938 172.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.29 156.85 17.99 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.667 175.044 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.503 HD13 ' HB3' ' A' ' 55' ' ' HIS . 94.8 mt -136.02 151.97 50.43 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.439 179.659 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -76.95 -47.75 20.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.924 -175.008 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 72.3 mtt180 67.71 6.7 5.2 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 112.907 0.706 . . . . 0.0 112.907 175.382 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt -118.23 151.07 48.81 Favored Pre-proline 0 C--N 1.322 -0.617 0 C-N-CA 120.985 -0.286 . . . . 0.0 110.898 -178.735 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_exo -65.78 125.45 14.3 Favored 'Trans proline' 0 C--O 1.236 0.395 0 C-N-CA 122.998 2.465 . . . . 0.0 111.847 175.562 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.635 HD21 HG21 ' A' ' 52' ' ' ILE . 60.1 mt -77.54 141.47 39.56 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.279 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.558 ' HB2' ' HG ' ' A' ' 22' ' ' LEU . 5.1 m -70.31 146.18 50.73 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.607 -178.293 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -56.91 -32.92 66.42 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.422 0.629 . . . . 0.0 110.956 -177.526 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -67.09 -38.56 85.91 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.923 -1.035 . . . . 0.0 111.381 -177.059 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.558 ' HG ' ' HB2' ' A' ' 19' ' ' SER . 0.7 OUTLIER -74.27 -37.07 63.81 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 175.31 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.529 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 21.4 mt -64.57 -40.53 95.72 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.139 -1.391 . . . . 0.0 112.386 -174.481 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -66.26 0.1 2.26 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 177.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -118.11 14.18 13.97 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.123 0.487 . . . . 0.0 110.874 -179.561 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.502 ' O ' ' HG ' ' A' ' 72' ' ' LEU . 20.7 t -77.56 136.34 24.49 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.775 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.97 176.135 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.457 HD13 ' HA ' ' A' ' 48' ' ' ALA . 29.4 pt -111.86 -25.11 3.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.419 -177.282 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.62 ' HB2' ' HB3' ' A' ' 46' ' ' HIS . 77.5 mm-40 -146.58 149.19 33.09 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.932 0.396 . . . . 0.0 111.244 -175.672 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 4.0 p -124.25 116.43 47.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 172.025 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -118.98 145.05 46.14 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.294 0.569 . . . . 0.0 111.844 -169.563 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 50.3 tp -101.41 114.46 28.48 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.435 177.703 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.427 ' O ' ' HA ' ' A' ' 41' ' ' GLN . 38.5 tt0 -82.88 105.41 13.87 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.37 173.518 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -71.18 147.94 47.81 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.957 0.408 . . . . 0.0 111.16 -179.497 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.472 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . . . -76.58 0.05 21.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.493 178.443 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -153.25 112.02 3.72 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.397 -0.82 . . . . 0.0 108.845 177.687 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 122.79 -78.34 0.35 Allowed Glycine 0 N--CA 1.446 -0.675 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.345 -175.412 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -66.88 -41.04 87.91 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-O 121.219 0.533 . . . . 0.0 110.219 177.404 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.429 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 5.9 t -156.37 -169.66 3.1 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.751 -175.094 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -98.88 -21.07 16.49 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.041 0.448 . . . . 0.0 110.688 177.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -119.17 161.33 20.53 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 177.041 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.472 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 35.0 tt0 -101.32 138.61 38.11 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.841 -175.637 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.566 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -153.83 143.14 21.48 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 178.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -93.64 106.45 18.42 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 170.198 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 73.8 t -104.74 135.8 41.11 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.95 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.728 -171.526 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.551 HD12 HD12 ' A' ' 18' ' ' LEU . 81.6 mt -103.31 130.77 50.66 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.165 -176.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.62 ' HB3' ' HB2' ' A' ' 28' ' ' GLN . 3.5 t60 -112.1 116.81 31.11 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.171 -169.488 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.5 mp -99.35 169.86 9.05 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 173.403 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.457 ' HA ' HD13 ' A' ' 27' ' ' ILE . . . -57.25 -24.18 53.06 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.748 0.648 . . . . 0.0 112.748 -175.558 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.3 mp0 -135.71 -0.89 2.55 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.684 -177.039 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 20.7 mtp180 -139.11 148.13 42.85 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.136 -171.069 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 12.9 m -126.94 123.5 37.31 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 175.495 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.635 HG21 HD21 ' A' ' 18' ' ' LEU . 68.3 mt -114.09 127.07 71.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-O 120.792 0.33 . . . . 0.0 110.305 -176.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 19.5 m -101.46 124.46 47.16 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.073 0.464 . . . . 0.0 110.867 -170.762 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 56.8 mt -131.94 134.1 60.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.99 -175.679 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.503 ' HB3' HD13 ' A' ' 13' ' ' LEU . 1.2 p80 -67.49 138.06 93.69 Favored Pre-proline 0 N--CA 1.462 0.14 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 172.865 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.566 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 63.1 Cg_exo -51.28 -34.24 48.59 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 123.228 2.619 . . . . 0.0 113.077 -174.709 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 19.7 mp0 -84.35 57.01 4.03 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.483 -178.205 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -136.87 129.16 17.13 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.492 -177.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -51.43 -37.99 62.67 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 123.263 2.642 . . . . 0.0 113.334 -177.485 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.2 t -58.3 -37.31 74.79 Favored 'General case' 0 C--O 1.222 -0.368 0 CA-C-N 116.667 -0.242 . . . . 0.0 111.121 -178.524 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.406 HD22 ' HA ' ' A' ' 61' ' ' LEU . 0.4 OUTLIER -76.65 -45.97 27.68 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 -174.229 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 24.6 t -62.82 -48.52 78.72 Favored 'General case' 0 C--O 1.243 0.735 0 CA-C-O 121.239 0.542 . . . . 0.0 110.51 178.555 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -61.41 -31.61 71.54 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.604 176.687 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.685 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 12.4 t-105 -70.77 -36.41 73.05 Favored 'General case' 0 C--O 1.216 -0.664 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.468 -179.812 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.2 m-30 -52.23 -43.42 64.28 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.08 0.466 . . . . 0.0 110.259 176.259 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -64.6 -56.32 14.71 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-O 121.549 0.69 . . . . 0.0 111.065 174.684 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.527 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 32.8 m170 -69.91 -32.12 70.27 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.451 -0.795 . . . . 0.0 112.696 -169.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.685 ' HG2' ' O ' ' A' ' 64' ' ' TRP . 4.1 pt20 -73.36 -35.39 65.95 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 117.898 0.317 . . . . 0.0 110.376 178.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.401 ' CD ' HH12 ' A' ' 85' ' ' ARG . 44.5 tt0 -58.15 -32.86 68.58 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.383 0.611 . . . . 0.0 110.114 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.407 ' H ' ' HG2' ' A' ' 70' ' ' ARG . 0.8 OUTLIER -114.82 35.38 4.31 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.848 179.001 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.625 ' HB3' HD13 ' A' ' 72' ' ' LEU . 20.8 ttmt -147.26 -164.92 2.11 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 119.158 -0.449 . . . . 0.0 109.835 176.237 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.625 HD13 ' HB3' ' A' ' 71' ' ' LYS . 0.0 OUTLIER 22.03 60.51 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 114.972 1.471 . . . . 0.0 114.972 -172.274 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 44.8 m80 70.71 -12.91 0.51 Allowed 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 173.71 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 79.46 21.78 66.2 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.717 -0.754 . . . . 0.0 111.467 -173.34 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 27.6 p -97.58 100.95 12.37 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.789 -0.206 . . . . 0.0 110.723 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.413 HD11 ' HB2' ' A' ' 68' ' ' GLN . 48.0 mt -153.28 157.7 32.86 Favored Pre-proline 0 N--CA 1.444 -0.752 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 -177.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.726 ' HB2' HD12 ' A' ' 79' ' ' LEU . 68.8 Cg_exo -48.09 132.16 22.57 Favored 'Trans proline' 0 C--N 1.327 -0.584 0 C-N-CA 123.108 2.538 . . . . 0.0 112.405 168.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.1 tmtm? -91.99 66.75 5.06 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.196 0.522 . . . . 0.0 109.789 178.684 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.726 HD12 ' HB2' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -103.09 10.38 38.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.908 -177.611 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 29.7 m-80 67.4 100.01 0.05 Allowed 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 115.167 -0.924 . . . . 0.0 111.326 -179.552 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -78.17 -14.16 59.57 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.13 0.49 . . . . 0.0 110.471 -177.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -71.38 -5.33 59.36 Favored Glycine 0 N--CA 1.452 -0.268 0 CA-C-N 116.03 -0.532 . . . . 0.0 113.012 -179.572 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 22.2 ptt? -78.83 -5.06 52.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.94 0.4 . . . . 0.0 110.66 178.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.5 tt -128.07 -37.45 1.89 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.015 179.783 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.46 ' C ' ' H ' ' A' ' 87' ' ' MET . 83.0 mtm180 -61.85 155.25 23.72 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.827 177.27 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 17.3 mmmt 73.27 -23.17 0.22 Allowed 'General case' 0 N--CA 1.47 0.552 0 O-C-N 123.792 0.682 . . . . 0.0 111.364 -179.354 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.46 ' H ' ' C ' ' A' ' 85' ' ' ARG . 65.5 mtt -87.06 -36.7 18.01 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.125 178.392 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.795 0 CA-C-O 119.122 -0.821 . . . . 0.0 111.343 178.881 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 86.2 t80 . . . . . 0 N--CA 1.478 0.943 0 CA-C-O 120.978 0.418 . . . . 0.0 110.432 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.409 ' O ' ' HD3' ' A' ' 4' ' ' PRO . 3.4 pp -92.03 143.82 26.08 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 175.545 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.438 ' HA ' ' HD3' ' A' ' 4' ' ' PRO . 4.1 mm? -77.91 113.34 31.98 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-O 121.097 0.475 . . . . 0.0 111.296 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.586 ' HB2' ' HB ' ' A' ' 7' ' ' THR . 11.8 Cg_exo -71.17 149.54 58.12 Favored 'Trans proline' 0 N--CA 1.461 -0.435 0 C-N-CA 123.343 2.695 . . . . 0.0 111.796 178.263 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -59.98 122.52 11.54 Favored 'Trans proline' 0 C--O 1.235 0.327 0 C-N-CA 122.54 2.16 . . . . 0.0 111.908 178.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.1 m 66.69 15.89 10.24 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.175 178.535 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.586 ' HB ' ' HB2' ' A' ' 4' ' ' PRO . 3.1 m -128.42 41.32 3.51 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 175.773 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -92.2 103.45 15.92 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 114.631 -1.168 . . . . 0.0 111.693 -173.641 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.52 ' HB2' ' OD1' ' A' ' 37' ' ' ASP . 38.3 t -123.49 77.76 1.53 Allowed 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 167.305 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 64.7 m -72.68 118.74 15.98 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.844 -1.071 . . . . 0.0 111.294 -172.677 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.0 p -87.31 -0.39 56.68 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.585 175.035 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -138.14 162.17 34.91 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.316 -0.857 . . . . 0.0 109.801 175.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.52 HD13 ' HB2' ' A' ' 55' ' ' HIS . 43.2 mt -138.52 135.32 34.95 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.686 0.279 . . . . 0.0 110.431 -177.668 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -66.21 -43.44 86.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.527 -176.6 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 81.5 mtm180 73.9 -44.21 0.56 Allowed 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 115.531 -0.759 . . . . 0.0 112.352 174.565 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.418 ' HA ' ' HD3' ' A' ' 16' ' ' LYS . 35.2 mmtm -71.85 148.48 92.25 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-O 120.699 0.285 . . . . 0.0 111.157 179.679 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -63.61 143.57 87.63 Favored 'Trans proline' 0 C--O 1.236 0.406 0 C-N-CA 122.623 2.216 . . . . 0.0 111.845 177.742 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.698 ' HB3' HD11 ' A' ' 22' ' ' LEU . 48.0 mt -89.15 148.86 23.43 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.352 -177.81 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.605 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 13.8 m -68.69 133.37 48.33 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.635 179.333 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.53 ' OD1' ' HE3' ' A' ' 71' ' ' LYS . 23.3 t70 -60.41 -28.75 68.5 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.109 0.48 . . . . 0.0 110.973 -176.679 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.63 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 58.3 mttp -66.4 -45.18 80.84 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.184 178.112 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.698 HD11 ' HB3' ' A' ' 18' ' ' LEU . 4.5 pp -73.32 -27.39 61.5 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.023 176.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.618 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 50.2 mt -62.51 -46.55 87.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.028 177.759 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.63 ' HG2' ' O ' ' A' ' 21' ' ' LYS . 13.3 ptm180 -62.55 -12.72 24.34 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 120.977 0.418 . . . . 0.0 111.02 -179.478 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -101.15 9.84 41.53 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.872 179.044 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.695 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 9.5 t -79.99 132.41 31.94 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.862 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 172.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.604 HD13 ' HA ' ' A' ' 48' ' ' ALA . 10.7 pt -97.42 -36.6 6.17 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.36 -176.267 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 75.0 mm-40 -146.28 157.6 43.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.119 0.485 . . . . 0.0 111.328 -178.041 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.414 HG13 HD23 ' A' ' 45' ' ' LEU . 65.7 t -116.09 134.36 59.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 175.569 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.447 ' HG3' ' HB ' ' A' ' 44' ' ' VAL . 9.6 pt-20 -125.78 137.45 53.79 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.384 0.611 . . . . 0.0 111.247 -176.689 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 47.5 tp -97.18 115.27 27.26 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.326 179.112 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.413 ' O ' ' HA ' ' A' ' 41' ' ' GLN . 41.8 tt0 -70.98 104.36 2.95 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 174.234 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -69.91 130.04 41.16 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.651 -176.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.684 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . . . -79.61 23.6 0.41 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.608 -178.092 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -155.94 -59.43 0.1 Allowed 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.992 -0.283 . . . . 0.0 111.604 -178.025 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -61.27 -39.63 97.47 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 121.11 -0.567 . . . . 0.0 113.271 -176.039 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.52 ' OD1' ' HB2' ' A' ' 9' ' ' CYS . 9.9 t0 -110.32 -61.88 1.6 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.38 0.61 . . . . 0.0 110.39 -178.815 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.4 t -112.18 178.03 4.44 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.452 -171.144 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -87.91 -30.76 19.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.137 0.494 . . . . 0.0 110.628 174.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.404 ' HG ' ' NE2' ' A' ' 32' ' ' GLN . 0.7 OUTLIER -111.96 157.37 20.78 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.369 -179.567 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.684 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 35.8 tt0 -99.0 143.42 29.3 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.541 179.536 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.471 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -150.08 148.6 29.19 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.043 177.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.544 ' O ' ' HB ' ' A' ' 54' ' ' ILE . 34.8 m-85 -99.08 106.8 19.06 Favored 'General case' 0 C--N 1.312 -1.042 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 174.672 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.447 ' HB ' ' HG3' ' A' ' 30' ' ' GLU . 60.2 t -106.3 131.04 57.0 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.946 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.81 -171.385 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.657 HD12 HD12 ' A' ' 18' ' ' LEU . 63.4 mt -104.08 130.04 51.77 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.176 -177.399 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -114.32 107.99 16.31 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.234 -171.748 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.695 ' HA ' ' HA ' ' A' ' 26' ' ' VAL . 6.3 mp -79.15 168.58 19.41 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 174.127 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.604 ' HA ' HD13 ' A' ' 27' ' ' ILE . . . -55.57 -23.02 24.63 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.095 0.474 . . . . 0.0 111.977 179.206 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -138.34 3.84 2.39 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.904 -173.033 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.506 ' HB2' ' HB2' ' A' ' 47' ' ' LEU . 82.5 mtp180 -141.07 157.46 45.28 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.895 0.379 . . . . 0.0 111.718 -172.183 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 12.9 m -134.71 124.2 24.88 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.345 175.509 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.594 HG21 HD21 ' A' ' 18' ' ' LEU . 66.3 mt -125.91 132.69 70.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 110.371 -0.233 . . . . 0.0 110.371 -177.486 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 38.3 m -101.65 121.52 42.17 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.295 0.569 . . . . 0.0 110.622 -174.131 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.544 ' HB ' ' O ' ' A' ' 43' ' ' PHE . 22.8 mt -117.97 133.87 63.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.161 -176.465 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.52 ' HB2' HD13 ' A' ' 13' ' ' LEU . 53.3 t-80 -71.34 135.07 84.46 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.916 174.743 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 59.7 Cg_exo -52.86 159.78 4.73 Favored 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 122.823 2.348 . . . . 0.0 112.071 175.828 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 20.4 mp0 64.86 28.04 12.81 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.418 0.627 . . . . 0.0 111.205 -176.256 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 43.1 t-20 -103.0 124.45 38.47 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.205 174.288 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -48.65 -38.81 37.3 Favored 'Trans proline' 0 N--CA 1.463 -0.293 0 C-N-CA 123.184 2.589 . . . . 0.0 112.995 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 20.1 t -63.41 -29.87 71.09 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.503 0.192 . . . . 0.0 111.18 -176.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.496 ' HG ' ' CB ' ' A' ' 43' ' ' PHE . 1.1 tm? -80.15 -48.65 12.85 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 -179.279 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 21.6 m -63.17 -48.62 77.61 Favored 'General case' 0 C--O 1.241 0.638 0 CA-C-O 121.366 0.603 . . . . 0.0 110.764 179.669 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -60.39 -28.05 67.92 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.381 176.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.642 ' CZ2' HD21 ' A' ' 72' ' ' LEU . 16.9 t-105 -66.71 -33.95 76.76 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.885 -0.326 . . . . 0.0 111.151 178.505 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -59.77 -39.88 86.35 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.455 -0.498 . . . . 0.0 110.047 175.242 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -74.89 -43.43 54.38 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-O 121.488 0.661 . . . . 0.0 110.623 177.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.48 ' O ' ' HG2' ' A' ' 70' ' ' ARG . 9.0 m170 -65.43 -41.71 93.24 Favored 'General case' 0 C--O 1.223 -0.314 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.532 -178.426 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.439 ' HB2' ' HG ' ' A' ' 72' ' ' LEU . 11.4 pt20 -65.26 -34.72 79.03 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 -179.455 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -56.32 -31.32 63.58 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.745 178.453 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.48 ' HG2' ' O ' ' A' ' 67' ' ' HIS . 5.9 ptp180 -103.65 11.9 35.49 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.732 -179.314 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.53 ' HE3' ' OD1' ' A' ' 20' ' ' ASP . 52.7 mttm -137.79 -144.75 0.19 Allowed 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.702 0.287 . . . . 0.0 110.55 179.25 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.642 HD21 ' CZ2' ' A' ' 64' ' ' TRP . 0.2 OUTLIER 62.62 22.83 13.56 Favored 'General case' 0 C--N 1.341 0.229 0 CA-C-N 115.736 -0.666 . . . . 0.0 112.699 174.134 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 78.8 t60 65.54 11.7 7.64 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 121.365 0.602 . . . . 0.0 110.553 174.383 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 91.5 -7.1 80.35 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.096 -177.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 12.3 p -104.79 105.38 15.43 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.7 0.286 . . . . 0.0 110.582 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.421 ' N ' HD22 ' A' ' 76' ' ' LEU . 2.9 mm? -98.66 157.09 34.86 Favored Pre-proline 0 N--CA 1.435 -1.205 0 CA-C-O 121.158 0.504 . . . . 0.0 110.536 -175.696 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.511 ' HD3' HD12 ' A' ' 72' ' ' LEU . 14.4 Cg_exo -43.59 156.85 0.14 Allowed 'Trans proline' 0 C--N 1.325 -0.69 0 C-N-CA 123.963 3.108 . . . . 0.0 112.981 164.37 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -132.77 88.75 2.55 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 173.18 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.2 pp -137.24 22.1 2.99 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.022 -179.457 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 62.15 45.37 7.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.968 -1.015 . . . . 0.0 111.24 175.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 13.0 p90 -75.6 18.43 0.24 Allowed 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 -173.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -72.02 -14.36 76.15 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.583 -179.032 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.72 -16.47 41.59 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.984 0.421 . . . . 0.0 111.067 -176.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.541 ' O ' HD23 ' A' ' 84' ' ' LEU . 5.1 tt -102.03 -29.39 11.8 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.506 -176.876 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.542 ' O ' ' HB3' ' A' ' 86' ' ' LYS . 6.6 mtm180 -59.89 151.69 25.23 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 178.581 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.542 ' HB3' ' O ' ' A' ' 85' ' ' ARG . 24.5 ttmm 82.76 -26.4 0.13 Allowed 'General case' 0 N--CA 1.47 0.541 0 O-C-N 124.288 0.993 . . . . 0.0 109.124 -165.819 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.413 ' H ' ' C ' ' A' ' 85' ' ' ARG . 22.3 mmt 74.27 16.59 3.39 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 114.966 -1.015 . . . . 0.0 111.201 174.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.499 -1.167 . . . . 0.0 112.115 177.44 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 90.5 t80 . . . . . 0 N--CA 1.477 0.9 0 CA-C-O 121.019 0.437 . . . . 0.0 110.277 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.9 pp -84.99 145.03 27.92 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 174.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -76.7 114.3 37.61 Favored Pre-proline 0 C--N 1.32 -0.686 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 178.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_exo -62.29 133.32 42.86 Favored 'Trans proline' 0 C--O 1.234 0.302 0 C-N-CA 122.703 2.269 . . . . 0.0 111.83 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_endo -56.63 134.83 66.88 Favored 'Trans proline' 0 N--CA 1.462 -0.339 0 C-N-CA 122.793 2.328 . . . . 0.0 111.98 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.9 t 73.09 2.92 4.53 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.379 178.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 28.2 m -103.1 96.52 6.85 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.065 0.459 . . . . 0.0 110.028 178.115 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -82.69 87.1 6.75 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.65 -179.705 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 49.4 t -153.08 87.86 1.29 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.777 177.474 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 97.8 m -86.08 118.79 25.77 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.016 -178.664 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.1 p -91.45 4.72 51.81 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.948 177.429 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -150.66 165.67 32.69 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.541 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.457 HD13 ' HB2' ' A' ' 55' ' ' HIS . 56.9 mt -129.03 149.26 50.92 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.418 -177.789 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.406 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 24.0 t80 -82.21 -39.56 22.94 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.1 178.734 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.406 ' HB2' ' O ' ' A' ' 14' ' ' TYR . 41.6 mtp180 73.55 -46.24 0.63 Allowed 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 112.817 0.673 . . . . 0.0 112.817 175.341 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.412 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 45.2 mtmt -74.21 151.41 87.97 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-O 120.632 0.253 . . . . 0.0 111.486 -177.332 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 16' ' ' LYS . 7.4 Cg_exo -73.15 128.77 13.32 Favored 'Trans proline' 0 N--CA 1.462 -0.382 0 C-N-CA 122.885 2.39 . . . . 0.0 111.791 176.47 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.573 ' HB3' HD11 ' A' ' 22' ' ' LEU . 83.5 mt -74.32 159.82 31.9 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.663 -179.784 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.683 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 20.8 m -85.99 141.66 29.34 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.907 -179.701 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.476 ' OD1' ' HE3' ' A' ' 71' ' ' LYS . 16.6 t70 -60.76 -28.63 68.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.967 -173.595 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 49.7 mmtm -60.81 -42.89 98.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.928 178.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.683 ' HG ' ' O ' ' A' ' 19' ' ' SER . 3.8 pp -76.04 -25.7 55.9 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.842 176.686 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.458 ' HG ' ' CE3' ' A' ' 64' ' ' TRP . 5.7 mp -59.66 -42.97 94.04 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.539 178.596 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.3 ptp180 -68.09 3.96 1.41 Allowed 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 176.113 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.581 ' HD3' ' HA ' ' A' ' 22' ' ' LEU . 29.1 mtpp -106.88 -21.7 12.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.412 178.292 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.409 HG22 ' HG ' ' A' ' 47' ' ' LEU . 38.6 t -61.62 145.51 12.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.721 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.409 HG12 ' O ' ' A' ' 46' ' ' HIS . 36.6 pt -109.39 -29.46 2.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 C-N-CA 120.755 -0.378 . . . . 0.0 111.625 -177.438 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 70.2 mm-40 -148.53 151.05 34.45 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.143 0.496 . . . . 0.0 112.063 -174.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.6 p -111.46 124.25 68.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.253 -0.885 . . . . 0.0 108.705 171.38 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -122.67 149.95 43.35 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.826 0.346 . . . . 0.0 111.466 -168.686 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.557 HD13 ' CZ ' ' A' ' 43' ' ' PHE . 30.7 tp -120.87 114.48 21.64 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.174 0.512 . . . . 0.0 111.227 -177.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.447 ' O ' ' HA ' ' A' ' 41' ' ' GLN . 47.3 tt0 -89.28 107.94 19.34 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.475 -0.784 . . . . 0.0 108.981 172.837 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -75.0 150.18 39.06 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 -178.622 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.659 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . . . -75.67 23.75 0.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 -167.599 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -175.96 -20.08 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.418 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -58.61 -48.73 83.01 Favored Glycine 0 C--N 1.333 0.385 0 C-N-CA 121.063 -0.589 . . . . 0.0 112.346 178.456 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -108.01 -58.95 1.91 Allowed 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 175.429 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 71.6 m -137.08 156.42 48.41 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.395 -0.821 . . . . 0.0 109.52 179.673 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.1 p80 -72.92 70.35 1.01 Allowed 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 121.205 0.526 . . . . 0.0 111.688 -179.477 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.3 tt -173.61 124.67 0.38 Allowed 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 179.671 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.659 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 34.7 tt0 -90.54 116.66 28.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.072 0.463 . . . . 0.0 110.162 179.574 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -136.36 161.78 34.85 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.998 -177.495 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.557 ' CZ ' HD13 ' A' ' 31' ' ' LEU . 41.8 m-85 -120.0 124.24 45.44 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 171.421 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 38.8 t -100.89 121.81 52.16 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.072 0 CA-C-O 121.008 0.432 . . . . 0.0 110.093 -176.692 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.654 HD21 HD13 ' A' ' 61' ' ' LEU . 13.9 mt -91.87 103.25 15.82 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 108.342 -0.985 . . . . 0.0 108.342 177.553 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.409 ' O ' HG12 ' A' ' 27' ' ' ILE . 4.5 t-160 -96.18 106.26 18.43 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.191 -0.913 . . . . 0.0 111.729 -165.431 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.409 ' HG ' HG22 ' A' ' 26' ' ' VAL . 5.3 mp -93.97 160.45 14.72 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 171.233 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.57 -11.66 60.26 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.825 0.345 . . . . 0.0 111.788 -171.293 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.49 3.76 8.35 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.72 -177.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.9 ptm180 -175.26 147.27 0.88 Allowed 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 31.2 m -118.34 129.28 55.35 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.817 0.341 . . . . 0.0 110.131 178.268 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 73.0 mt -111.79 137.64 43.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.189 -177.703 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 61.1 m -102.43 121.72 42.89 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.97 0.414 . . . . 0.0 110.675 -175.069 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.488 HD11 ' HB2' ' A' ' 60' ' ' SER . 3.7 tt -123.33 148.41 27.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.907 -175.787 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.457 ' HB2' HD13 ' A' ' 13' ' ' LEU . 32.7 t-80 -92.79 135.93 25.56 Favored Pre-proline 0 C--N 1.322 -0.616 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 -177.819 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.45 ' HD2' ' CD2' ' A' ' 55' ' ' HIS . 67.2 Cg_exo -40.35 -38.11 2.22 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 124.027 3.151 . . . . 0.0 115.211 -177.009 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.42 -6.2 38.52 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 121.038 0.447 . . . . 0.0 112.14 -175.795 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.421 ' HB2' ' O ' ' A' ' 55' ' ' HIS . 2.4 m120 -66.35 118.04 49.54 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.744 -177.018 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.432 ' O ' ' HG3' ' A' ' 63' ' ' GLN . 17.8 Cg_endo -61.21 -22.74 75.54 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.387 2.058 . . . . 0.0 110.468 173.441 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.488 ' HB2' HD11 ' A' ' 54' ' ' ILE . 0.8 OUTLIER -58.43 -38.45 77.47 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.273 176.06 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.654 HD13 HD21 ' A' ' 45' ' ' LEU . 41.4 tp -78.56 -35.57 45.79 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.147 -178.085 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.3 m -57.74 -46.42 84.48 Favored 'General case' 0 C--O 1.238 0.456 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 172.082 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.432 ' HG3' ' O ' ' A' ' 59' ' ' PRO . 77.1 mt-30 -60.65 -44.32 96.54 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.311 -0.859 . . . . 0.0 109.842 173.835 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.525 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 10.5 t-105 -58.51 -48.46 80.75 Favored 'General case' 0 C--O 1.216 -0.698 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.364 -178.091 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.736 ' HD2' ' HB3' ' A' ' 81' ' ' PHE . 9.4 m-85 -53.55 -39.45 64.74 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 117.953 0.342 . . . . 0.0 111.575 179.507 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -76.36 -42.26 45.31 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-O 121.339 0.59 . . . . 0.0 110.643 177.7 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 13.0 m170 -66.93 -43.1 84.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.206 -178.279 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.525 ' HG2' ' O ' ' A' ' 64' ' ' TRP . 12.8 pt20 -64.51 -29.71 70.74 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-O 120.836 0.35 . . . . 0.0 110.286 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -63.99 -29.11 70.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.398 178.325 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.3 ptt180 -107.96 10.26 28.42 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 120.693 -0.403 . . . . 0.0 111.147 178.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.476 ' HE3' ' OD1' ' A' ' 20' ' ' ASP . 63.2 mttm -125.68 -164.16 1.28 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.278 175.589 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.1 mp 53.09 -93.32 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.254 0 O-C-N 123.762 0.664 . . . . 0.0 111.662 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 10.9 t-80 -158.47 -3.96 0.08 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.934 179.145 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 84.02 -15.66 37.04 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 121.059 -0.591 . . . . 0.0 112.021 -175.401 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 16.9 p -88.52 108.82 19.61 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.906 0.384 . . . . 0.0 111.062 -178.216 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 58.4 mt -148.81 159.34 38.09 Favored Pre-proline 0 N--CA 1.445 -0.722 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 -178.681 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -40.74 113.19 0.21 Allowed 'Trans proline' 0 C--O 1.234 0.304 0 C-N-CA 123.288 2.659 . . . . 0.0 112.954 171.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -80.74 84.01 6.37 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.403 0.621 . . . . 0.0 110.736 -179.374 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -108.17 16.42 23.3 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.723 176.543 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 65.3 m-20 68.5 89.85 0.1 Allowed 'General case' 0 CA--C 1.511 -0.532 0 CA-C-N 114.596 -1.183 . . . . 0.0 109.84 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.736 ' HB3' ' HD2' ' A' ' 65' ' ' PHE . 32.8 m-85 -65.84 -19.32 65.84 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 114.373 -1.285 . . . . 0.0 111.349 -171.311 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.449 ' HA2' ' HG2' ' A' ' 85' ' ' ARG . . . -71.74 7.8 6.67 Favored Glycine 0 N--CA 1.449 -0.464 0 CA-C-N 115.891 -0.595 . . . . 0.0 112.882 178.556 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 26.4 ptt? -74.7 -11.87 60.28 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.87 0.367 . . . . 0.0 110.624 176.746 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.562 HD12 ' N ' ' A' ' 85' ' ' ARG . 1.0 OUTLIER -152.67 -19.71 0.16 Allowed 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 113.15 0.796 . . . . 0.0 113.15 177.835 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.562 ' N ' HD12 ' A' ' 84' ' ' LEU . 13.0 ptm180 -76.55 132.91 39.79 Favored 'General case' 0 CA--C 1.521 -0.166 0 C-N-CA 119.591 -0.844 . . . . 0.0 109.992 179.223 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt 73.14 -29.51 0.2 Allowed 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.554 0.742 . . . . 0.0 110.902 -177.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.483 ' H ' ' C ' ' A' ' 85' ' ' ARG . 46.9 ttm -72.53 -45.29 60.03 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.633 173.332 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.924 0 CA-C-O 118.699 -1.056 . . . . 0.0 111.044 177.673 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 88.1 t80 . . . . . 0 N--CA 1.476 0.853 0 CA-C-O 121.134 0.492 . . . . 0.0 109.94 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.4 pp -117.66 144.85 44.83 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.105 175.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.421 ' HG ' ' SG ' ' A' ' 10' ' ' CYS . 4.0 mm? -74.63 114.2 31.81 Favored Pre-proline 0 C--N 1.321 -0.648 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 176.686 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.947 ' HB2' ' HB ' ' A' ' 7' ' ' THR . 51.1 Cg_exo -54.0 142.99 63.46 Favored 'Trans proline' 0 C--O 1.233 0.247 0 C-N-CA 122.901 2.4 . . . . 0.0 112.297 -177.446 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 4' ' ' PRO . 51.9 Cg_exo -54.03 122.89 12.22 Favored 'Trans proline' 0 C--O 1.237 0.436 0 C-N-CA 122.892 2.395 . . . . 0.0 111.973 179.272 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.9 m 59.06 29.14 18.62 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.777 -178.33 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.947 ' HB ' ' HB2' ' A' ' 4' ' ' PRO . 2.6 m -143.84 32.02 1.28 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 122.075 0.94 . . . . 0.0 108.716 178.612 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -84.78 87.42 7.31 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.844 -1.071 . . . . 0.0 111.401 -174.66 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.803 ' HA ' ' OE1' ' A' ' 32' ' ' GLN . 38.2 t -104.33 87.47 2.74 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 174.578 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.421 ' SG ' ' HG ' ' A' ' 3' ' ' LEU . 84.5 m -87.77 117.03 26.32 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.284 -0.871 . . . . 0.0 111.219 -174.083 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.3 p -86.11 -39.47 16.7 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.405 0.621 . . . . 0.0 109.725 172.025 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.26 163.55 16.05 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.016 -0.993 . . . . 0.0 110.751 175.161 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.521 HD13 ' HB3' ' A' ' 55' ' ' HIS . 61.1 mt -141.25 140.5 33.92 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.189 -177.876 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.614 ' CE2' ' HB2' ' A' ' 16' ' ' LYS . 77.2 t80 -83.55 -41.14 18.26 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 178.135 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 17.5 ptm180 48.19 27.3 1.25 Allowed 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.507 1.123 . . . . 0.0 113.997 172.032 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.614 ' HB2' ' CE2' ' A' ' 14' ' ' TYR . 68.3 mttm -123.18 147.89 53.19 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 122.153 -0.342 . . . . 0.0 110.34 178.788 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.416 ' HA ' ' HB2' ' A' ' 60' ' ' SER . 51.0 Cg_exo -55.7 124.45 16.31 Favored 'Trans proline' 0 C--O 1.238 0.481 0 C-N-CA 123.222 2.614 . . . . 0.0 113.365 -178.775 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.78 ' HB3' HD11 ' A' ' 22' ' ' LEU . 87.2 mt -93.52 148.21 22.28 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.338 178.166 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.612 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 11.3 m -89.25 151.25 22.24 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.728 -178.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.506 ' HA ' ' HB2' ' A' ' 23' ' ' LEU . 18.5 m-20 -59.33 -29.29 67.54 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.603 -0.272 . . . . 0.0 111.422 178.857 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -55.48 -48.88 73.88 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.376 178.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.78 HD11 ' HB3' ' A' ' 18' ' ' LEU . 3.9 pp -77.09 -33.8 56.99 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.932 175.735 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.506 ' HB2' ' HA ' ' A' ' 20' ' ' ASP . 2.2 tp -63.58 -35.83 81.79 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.551 -0.75 . . . . 0.0 112.26 -171.598 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -66.02 -12.18 53.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.934 0.397 . . . . 0.0 111.562 179.475 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.538 ' HE2' ' HA ' ' A' ' 22' ' ' LEU . 53.7 mtmt -96.92 5.94 49.57 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.16 -177.35 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.478 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 12.3 t -74.25 130.19 36.11 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.865 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.797 175.234 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.518 HD13 ' HA ' ' A' ' 48' ' ' ALA . 16.0 pt -105.32 -27.23 3.15 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.931 -178.423 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.45 ' HG2' HG13 ' A' ' 27' ' ' ILE . 81.0 mm-40 -137.82 134.26 34.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.511 -179.054 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 52.3 t -107.99 115.78 49.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 170.183 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -125.32 147.96 48.92 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.396 0.617 . . . . 0.0 111.779 -173.148 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 44.7 tp -111.09 108.83 18.66 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.498 -0.773 . . . . 0.0 109.928 176.143 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.803 ' OE1' ' HA ' ' A' ' 9' ' ' CYS . 8.8 tt0 -72.45 128.5 35.79 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 173.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -99.42 158.11 15.95 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 120.668 0.27 . . . . 0.0 110.692 -175.52 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.16 -11.77 58.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.113 -0.494 . . . . 0.0 112.026 -174.318 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -143.02 -6.99 0.83 Allowed 'General case' 0 C--N 1.317 -0.847 0 CA-C-O 121.284 0.564 . . . . 0.0 110.09 177.65 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -87.19 109.35 3.44 Favored Glycine 0 N--CA 1.448 -0.506 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.985 -178.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.6 t70 73.32 -53.45 0.7 Allowed 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 123.769 0.828 . . . . 0.0 110.323 -178.684 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 31.7 t -117.12 -165.83 1.11 Allowed 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.154 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 36.5 p-80 -124.51 28.47 6.6 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.546 0.573 . . . . 0.0 112.546 -174.741 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.5 pp -159.38 155.43 26.69 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 110.409 -0.219 . . . . 0.0 110.409 176.381 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.597 ' HA ' ' O ' ' A' ' 32' ' ' GLN . 62.2 tt0 -93.89 131.71 39.04 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.909 0.385 . . . . 0.0 110.817 -176.161 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.58 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -159.84 134.73 7.9 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.687 176.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.5 ' CB ' ' HG ' ' A' ' 61' ' ' LEU . 64.1 m-85 -84.89 103.1 13.65 Favored 'General case' 0 C--N 1.317 -0.848 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 172.066 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 85.1 t -99.84 134.9 37.64 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.931 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.401 -173.563 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.565 HD12 HD12 ' A' ' 18' ' ' LEU . 60.7 mt -105.49 119.54 39.35 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.889 -177.149 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -106.71 109.07 20.88 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.773 -171.371 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.478 ' HA ' ' HA ' ' A' ' 26' ' ' VAL . 7.0 mp -87.2 163.08 17.12 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 175.71 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.518 ' HA ' HD13 ' A' ' 27' ' ' ILE . . . -57.98 -25.48 61.09 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.853 -0.612 . . . . 0.0 112.225 -178.608 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -128.79 3.87 5.44 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.964 -0.562 . . . . 0.0 112.398 -170.591 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -167.37 170.8 11.15 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.861 -176.187 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 15.5 m -139.91 135.2 32.61 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.829 0.347 . . . . 0.0 110.725 -179.037 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 81.4 mt -124.77 129.3 73.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.57 -179.617 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 34.3 m -102.05 121.52 42.33 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.16 0.505 . . . . 0.0 110.645 -174.024 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 43.8 mt -122.47 138.91 51.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.019 -179.46 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.521 ' HB3' HD13 ' A' ' 13' ' ' LEU . 3.7 p80 -86.23 157.08 56.84 Favored Pre-proline 0 C--N 1.326 -0.429 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 177.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.58 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 19.2 Cg_endo -58.92 153.14 53.03 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.282 1.988 . . . . 0.0 111.421 175.609 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 32.3 mm-40 65.93 64.54 0.55 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.588 0.709 . . . . 0.0 110.501 -174.176 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -141.47 130.17 12.32 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 115.155 -0.93 . . . . 0.0 109.454 177.752 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -51.12 -31.76 36.95 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 123.54 2.827 . . . . 0.0 113.61 -177.088 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.416 ' HB2' ' HA ' ' A' ' 17' ' ' PRO . 4.2 t -70.51 -43.0 70.56 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.639 0.257 . . . . 0.0 110.808 -176.721 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.5 ' HG ' ' CB ' ' A' ' 43' ' ' PHE . 0.2 OUTLIER -70.76 -41.8 71.28 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 -176.044 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 27.9 t -58.54 -48.5 80.66 Favored 'General case' 0 C--O 1.24 0.576 0 CA-C-O 121.258 0.551 . . . . 0.0 109.938 177.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -60.34 -37.03 79.37 Favored 'General case' 0 C--O 1.224 -0.269 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.485 176.771 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.449 ' CE3' ' HG ' ' A' ' 23' ' ' LEU . 5.8 t-105 -68.97 -28.3 66.49 Favored 'General case' 0 C--O 1.217 -0.62 0 C-N-CA 121.06 -0.256 . . . . 0.0 111.313 -177.317 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -61.47 -50.7 71.69 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.17 -0.612 . . . . 0.0 110.074 173.537 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -64.33 -45.75 86.53 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-O 121.395 0.617 . . . . 0.0 110.627 176.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.535 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 12.2 m170 -68.72 -40.73 79.76 Favored 'General case' 0 C--O 1.217 -0.623 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.984 -175.279 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -64.17 -32.6 74.24 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.13 0.49 . . . . 0.0 110.227 -177.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -61.25 -32.71 72.51 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.838 176.383 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 -115.04 30.53 7.29 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.836 179.623 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.535 ' HB2' ' O ' ' A' ' 67' ' ' HIS . 7.5 tppt? -141.79 -155.49 0.59 Allowed 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 -178.06 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.495 ' H ' ' HG3' ' A' ' 71' ' ' LYS . 1.5 mm? 52.62 -83.48 0.01 OUTLIER 'General case' 0 C--O 1.233 0.199 0 C-N-CA 123.932 0.893 . . . . 0.0 113.312 -174.19 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.42 ' HB2' ' O ' ' A' ' 72' ' ' LEU . 56.2 t-80 159.83 -17.8 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 -165.329 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 116.84 -6.87 17.63 Favored Glycine 0 N--CA 1.446 -0.676 0 CA-C-N 114.701 -1.136 . . . . 0.0 110.623 -172.414 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 16.3 p -71.19 96.15 1.35 Allowed 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.235 -0.483 . . . . 0.0 111.193 -179.359 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 30.9 mt -157.36 155.01 26.92 Favored Pre-proline 0 N--CA 1.447 -0.603 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.394 -178.141 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -77.21 178.47 7.59 Favored 'Trans proline' 0 N--CA 1.457 -0.629 0 C-N-CA 122.525 2.15 . . . . 0.0 111.607 178.665 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -71.62 86.47 0.9 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.137 0.494 . . . . 0.0 109.892 176.741 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 94.0 mt -86.85 107.27 18.24 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.067 -177.113 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -83.05 23.0 0.89 Allowed 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.578 172.521 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.428 ' HA ' ' SD ' ' A' ' 83' ' ' MET . 96.8 m-85 -93.52 44.58 1.14 Allowed 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.561 -175.537 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -69.62 -34.0 72.47 Favored Glycine 0 N--CA 1.448 -0.531 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.872 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.445 ' HB2' ' OXT' ' A' ' 88' ' ' GLY . 0.0 OUTLIER -58.97 -34.12 71.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.738 0.78 . . . . 0.0 110.702 -179.121 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 9.0 tp -92.34 13.38 19.54 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.365 -175.533 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -102.11 52.91 0.81 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.733 0.778 . . . . 0.0 110.667 176.256 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm 63.28 21.1 12.65 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 114.145 -1.389 . . . . 0.0 112.734 172.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 22.5 ptp -115.58 -17.28 11.19 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.532 -0.467 . . . . 0.0 111.376 179.075 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.445 ' OXT' ' HB2' ' A' ' 83' ' ' MET . . . . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.509 -1.162 . . . . 0.0 112.16 178.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 84.9 t80 . . . . . 0 N--CA 1.479 0.976 0 CA-C-O 120.852 0.358 . . . . 0.0 110.438 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.535 ' H ' HD23 ' A' ' 2' ' ' LEU . 2.3 pt? -119.17 144.86 46.44 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 176.297 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -77.19 111.55 17.54 Favored Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.125 177.279 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.586 ' HB2' ' HB ' ' A' ' 7' ' ' THR . 36.4 Cg_exo -60.76 130.59 33.75 Favored 'Trans proline' 0 N--CA 1.463 -0.322 0 C-N-CA 122.874 2.383 . . . . 0.0 111.817 -179.31 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 4' ' ' PRO . 84.0 Cg_exo -49.09 111.85 0.55 Allowed 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 123.24 2.626 . . . . 0.0 113.122 -178.399 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.0 m 74.36 6.61 4.63 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.587 -0.733 . . . . 0.0 112.663 176.444 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.586 ' HB ' ' HB2' ' A' ' 4' ' ' PRO . 86.5 m -90.13 80.31 6.32 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.674 -0.862 . . . . 0.0 108.674 171.24 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.833 ' HB1' ' HB2' ' A' ' 32' ' ' GLN . . . -77.31 87.44 3.72 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.055 -0.975 . . . . 0.0 111.116 -174.533 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 11.2 t -130.87 34.43 4.09 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.331 -0.85 . . . . 0.0 109.026 179.494 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 59.6 m -71.35 117.46 12.91 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.894 -177.396 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 15.3 p -102.59 -3.36 26.84 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.683 0.754 . . . . 0.0 109.378 172.701 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.8 159.71 28.95 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.706 -1.133 . . . . 0.0 109.279 175.297 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 88.3 mt -134.76 142.77 46.82 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.583 0.23 . . . . 0.0 110.513 -176.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -65.34 -44.33 88.09 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.886 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 51.1 mtp180 66.3 7.65 5.06 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.579 -0.737 . . . . 0.0 112.503 172.653 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.447 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 72.6 mmtt -124.28 142.06 39.09 Favored Pre-proline 0 C--N 1.323 -0.555 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 179.809 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' A' ' 16' ' ' LYS . 32.3 Cg_exo -62.71 128.91 24.61 Favored 'Trans proline' 0 N--CA 1.463 -0.295 0 C-N-CA 122.837 2.358 . . . . 0.0 111.701 177.423 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.665 ' HB3' HD11 ' A' ' 22' ' ' LEU . 82.8 mt -77.45 156.32 31.16 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.055 -176.631 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.552 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 48.9 m -72.49 135.93 45.81 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.14 176.042 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -62.88 -28.66 70.19 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 121.124 0.488 . . . . 0.0 110.581 -176.46 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.462 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 27.1 mtpp -60.11 -49.24 78.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.861 178.735 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.665 HD11 ' HB3' ' A' ' 18' ' ' LEU . 4.4 pp -75.97 -27.58 57.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.973 0.416 . . . . 0.0 110.608 175.724 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.644 ' HG ' ' CZ3' ' A' ' 64' ' ' TRP . 14.5 tp -67.76 -37.34 81.97 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.104 -174.324 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.697 ' HB3' ' HD3' ' A' ' 71' ' ' LYS . 14.0 ptm180 -66.37 -5.7 11.68 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 121.041 0.448 . . . . 0.0 111.37 179.09 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.6 mtpt -105.32 7.29 33.33 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.738 -179.616 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.702 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 43.4 t -82.42 130.82 35.12 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.01 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 170.586 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 14.6 pt -99.2 -36.38 5.41 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.344 -175.408 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -142.68 157.52 44.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.831 0.348 . . . . 0.0 110.618 -177.191 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 4.5 p -111.84 115.86 50.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 172.28 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.412 ' H ' ' HG2' ' A' ' 30' ' ' GLU . 10.1 pt-20 -108.16 117.33 33.85 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.602 0.715 . . . . 0.0 111.388 -173.649 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 48.4 tp -76.86 118.66 19.68 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.75 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.833 ' HB2' ' HB1' ' A' ' 8' ' ' ALA . 32.8 tt0 -79.92 110.71 15.55 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.241 172.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -80.53 147.2 30.94 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 179.245 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.635 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . . . -77.18 28.15 0.14 Allowed 'General case' 0 C--O 1.236 0.384 0 N-CA-C 112.907 0.706 . . . . 0.0 112.907 -167.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.431 ' H ' ' H ' ' A' ' 36' ' ' GLY . 12.5 t70 -177.39 -14.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.597 0.236 . . . . 0.0 111.038 -178.812 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.431 ' H ' ' H ' ' A' ' 35' ' ' ASP . . . -62.14 -74.39 0.41 Allowed Glycine 0 C--N 1.334 0.427 0 C-N-CA 121.315 -0.469 . . . . 0.0 113.099 -178.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -84.16 -44.6 13.82 Favored 'General case' 0 CA--C 1.516 -0.331 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 179.067 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 94.8 m -150.92 -176.55 5.58 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.329 -1.305 . . . . 0.0 108.632 172.469 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 16.3 p80 -78.24 173.75 11.94 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.754 -0.379 . . . . 0.0 110.091 174.487 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.2 tm? 75.92 121.6 0.05 OUTLIER 'General case' 0 N--CA 1.471 0.621 0 O-C-N 124.241 0.963 . . . . 0.0 110.373 -179.568 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.635 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 63.7 tt0 -94.31 131.25 40.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.499 -179.41 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.505 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -147.91 163.03 38.06 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.946 -179.211 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.455 ' O ' ' HB ' ' A' ' 54' ' ' ILE . 2.3 m-85 -109.27 103.7 12.7 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 174.489 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.447 HG13 ' O ' ' A' ' 52' ' ' ILE . 57.9 t -99.68 131.17 47.57 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.696 -171.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 64.3 mt -94.41 124.37 38.39 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.24 0.543 . . . . 0.0 110.569 -178.68 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 10.8 t60 -102.18 103.59 14.12 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.989 -172.733 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.702 ' HA ' ' HA ' ' A' ' 26' ' ' VAL . 6.0 mp -79.97 161.96 25.19 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 172.096 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.13 -13.85 20.42 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -178.154 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.4 mp0 -109.99 -42.73 4.14 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.155 -177.648 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.7 168.86 24.98 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.66 -0.245 . . . . 0.0 111.123 -174.391 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.1 m -110.76 157.15 20.09 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.032 0.444 . . . . 0.0 111.757 -176.564 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.447 ' O ' HG13 ' A' ' 44' ' ' VAL . 62.2 mt -125.71 143.9 37.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.127 175.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 25.1 m -99.93 121.52 41.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.025 0.44 . . . . 0.0 110.501 -171.46 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.455 ' HB ' ' O ' ' A' ' 43' ' ' PHE . 5.8 mt -126.44 144.74 35.58 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.722 -174.391 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 20.9 t-80 -65.58 129.46 94.36 Favored Pre-proline 0 CA--C 1.531 0.242 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.689 176.115 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.505 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 72.7 Cg_exo -48.85 -42.61 37.09 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.911 2.408 . . . . 0.0 113.11 -178.694 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 26.1 mm-40 -93.49 78.78 4.36 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 174.183 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -140.31 131.41 14.08 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.905 179.493 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -52.91 -34.85 68.31 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 123.059 2.506 . . . . 0.0 112.982 -177.188 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.4 t -63.75 -30.23 71.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.281 -178.309 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.46 ' O ' ' HB3' ' A' ' 64' ' ' TRP . 0.4 OUTLIER -79.99 -43.61 21.69 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 -176.913 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.0 p -66.59 -44.69 81.5 Favored 'General case' 0 C--O 1.242 0.702 0 CA-C-O 121.684 0.754 . . . . 0.0 110.946 178.341 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -60.56 -28.44 68.46 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.09 175.695 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.649 ' CH2' HD11 ' A' ' 72' ' ' LEU . 13.1 t-105 -61.62 -46.07 91.38 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.803 178.473 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -53.16 -41.11 64.86 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.843 0.354 . . . . 0.0 110.541 177.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -76.21 -38.87 55.89 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.054 0.454 . . . . 0.0 111.103 179.368 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.669 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 8.9 m170 -70.42 -45.85 65.09 Favored 'General case' 0 C--O 1.219 -0.539 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.408 -177.612 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -65.38 -29.72 70.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.992 0.425 . . . . 0.0 110.173 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -57.65 -34.73 69.65 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.974 175.636 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 -114.24 27.29 9.6 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.251 -178.727 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.697 ' HD3' ' HB3' ' A' ' 24' ' ' ARG . 4.5 ttmm -146.54 -158.16 0.88 Allowed 'General case' 0 C--N 1.328 -0.368 0 O-C-N 122.294 -0.254 . . . . 0.0 110.733 -174.599 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.649 HD11 ' CH2' ' A' ' 64' ' ' TRP . 6.9 mp 52.47 -107.39 0.34 Allowed 'General case' 0 C--N 1.342 0.245 0 CA-C-O 120.777 0.322 . . . . 0.0 110.901 -175.263 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 36.6 t60 -151.2 16.82 0.74 Allowed 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 78.71 -5.86 55.95 Favored Glycine 0 C--N 1.331 0.287 0 CA-C-N 115.566 -0.743 . . . . 0.0 112.71 -177.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 26.8 p -79.65 104.79 10.48 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.596 0.236 . . . . 0.0 111.272 -178.564 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 76' ' ' LEU . 41.9 mt -143.59 155.56 60.23 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-O 121.035 0.445 . . . . 0.0 111.163 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_endo -91.29 -169.97 0.32 Allowed 'Trans proline' 0 N--CA 1.455 -0.736 0 C-N-CA 123.542 2.828 . . . . 0.0 111.869 179.338 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -93.96 89.27 6.01 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.916 0.389 . . . . 0.0 110.783 177.739 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.587 ' HB3' ' HD1' ' A' ' 81' ' ' PHE . 62.2 mt -97.44 120.62 38.14 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.403 179.211 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -77.55 23.4 0.22 Allowed 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 121.512 0.672 . . . . 0.0 110.498 173.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.587 ' HD1' ' HB3' ' A' ' 79' ' ' LEU . 95.9 m-85 -98.85 13.49 32.27 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.023 -172.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -69.46 -12.33 66.39 Favored Glycine 0 N--CA 1.451 -0.307 0 N-CA-C 111.292 -0.723 . . . . 0.0 111.292 176.595 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.52 ' HA ' ' SD ' ' A' ' 87' ' ' MET . 0.0 OUTLIER -66.74 -9.25 34.69 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.33 -0.435 . . . . 0.0 111.494 177.203 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.456 ' HG ' ' SD ' ' A' ' 83' ' ' MET . 51.2 mt -86.3 -1.72 57.75 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.272 178.727 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 76.6 mtp180 -79.12 73.28 5.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.912 0.387 . . . . 0.0 111.332 -178.221 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt 64.4 14.71 9.01 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.474 -0.784 . . . . 0.0 112.042 174.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.52 ' SD ' ' HA ' ' A' ' 83' ' ' MET . 53.5 mtt -90.27 -18.74 25.09 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.2 0.524 . . . . 0.0 109.82 177.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.176 -1.347 . . . . 0.0 111.368 177.97 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 89.0 t80 . . . . . 0 N--CA 1.48 1.067 0 CA-C-O 121.295 0.569 . . . . 0.0 110.369 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.445 ' O ' ' HD3' ' A' ' 4' ' ' PRO . 46.0 tp -142.95 135.04 27.14 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.484 176.008 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.479 ' HB2' ' HB2' ' A' ' 51' ' ' SER . 3.7 mm? -73.8 110.85 10.07 Favored Pre-proline 0 N--CA 1.444 -0.774 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 173.807 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 1.015 ' HB2' ' HB ' ' A' ' 7' ' ' THR . 52.3 Cg_exo -55.84 135.6 70.39 Favored 'Trans proline' 0 N--CA 1.462 -0.367 0 C-N-CA 122.832 2.354 . . . . 0.0 111.922 -178.292 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -54.33 117.46 3.96 Favored 'Trans proline' 0 C--O 1.234 0.297 0 C-N-CA 123.075 2.516 . . . . 0.0 111.835 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.9 m 65.24 30.4 11.3 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 121.279 0.561 . . . . 0.0 110.757 -177.275 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' THR . . . . . 1.015 ' HB ' ' HB2' ' A' ' 4' ' ' PRO . 13.7 m -148.33 69.78 1.11 Allowed 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 174.084 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -117.62 86.84 2.59 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.665 -171.637 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 92.2 m -82.44 85.73 6.87 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 171.43 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.462 ' HB2' ' OE1' ' A' ' 32' ' ' GLN . 62.2 m -64.64 129.69 40.76 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.061 178.69 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 13.8 t -128.5 12.3 6.41 Favored 'General case' 0 C--N 1.312 -1.055 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 171.165 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -144.81 146.08 31.94 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 113.991 -1.459 . . . . 0.0 109.552 -179.558 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 68.5 mt -132.48 122.5 24.99 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 179.193 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -59.26 -50.68 73.06 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.752 -176.038 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.411 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 40.9 ttp180 63.93 25.82 14.04 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.681 0.753 . . . . 0.0 111.091 174.775 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.556 ' HD2' ' HD2' ' A' ' 17' ' ' PRO . 22.2 mmtp -140.06 154.9 70.78 Favored Pre-proline 0 C--N 1.319 -0.743 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.051 177.725 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.723 ' HA ' ' OG ' ' A' ' 60' ' ' SER . 31.5 Cg_endo -64.18 142.14 78.94 Favored 'Trans proline' 0 N--CA 1.462 -0.327 0 C-N-CA 122.666 2.244 . . . . 0.0 112.099 176.352 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 87.4 mt -98.13 167.12 11.07 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.356 177.408 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.669 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 16.5 m -99.09 137.17 38.0 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.806 -179.043 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -63.28 -27.4 69.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.575 -179.007 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 38.4 mttm -54.93 -49.72 70.64 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.021 0.439 . . . . 0.0 109.852 178.662 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.669 ' HG ' ' O ' ' A' ' 19' ' ' SER . 4.0 pp -76.16 -36.36 58.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.677 175.866 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.438 ' HG ' ' CZ3' ' A' ' 64' ' ' TRP . 6.7 tp -63.21 -36.96 85.38 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.675 -0.693 . . . . 0.0 112.138 -170.183 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.3 ptp180 -64.7 -11.81 39.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.872 0.368 . . . . 0.0 111.275 179.726 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -101.28 13.17 35.94 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.264 -177.309 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.794 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 20.3 t -72.01 147.62 10.39 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.695 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.486 172.699 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 13.3 pt -114.13 -35.76 2.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 C-N-CA 121.151 -0.22 . . . . 0.0 111.346 179.356 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 -141.41 157.62 44.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.795 0.331 . . . . 0.0 110.762 -178.35 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 46.9 t -119.36 120.83 64.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 174.735 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.407 ' CD ' ' HD1' ' A' ' 46' ' ' HIS . 0.1 OUTLIER -124.11 111.25 15.71 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.336 -171.703 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.534 ' H ' HD23 ' A' ' 31' ' ' LEU . 2.0 pt? -90.22 130.05 36.4 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.361 0.601 . . . . 0.0 109.94 176.202 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.535 ' O ' ' HA ' ' A' ' 41' ' ' GLN . 58.2 tt0 -77.44 105.48 8.6 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.596 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -73.3 134.92 44.34 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 176.165 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.528 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . . . -67.85 7.7 0.49 Allowed 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 114.12 1.155 . . . . 0.0 114.12 -167.236 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -175.66 -21.68 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 178.499 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -70.92 -33.33 65.84 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.882 -0.675 . . . . 0.0 111.877 174.059 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -110.72 -50.47 2.95 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.151 0.501 . . . . 0.0 110.301 179.004 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 19.6 t -168.43 161.35 11.78 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.827 -1.175 . . . . 0.0 107.827 -178.799 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 15.2 t60 -74.64 78.41 2.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 118.754 0.706 . . . . 0.0 112.22 -172.744 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.508 ' O ' ' HA ' ' A' ' 34' ' ' ALA . 62.5 tp 174.09 153.56 0.11 Allowed 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 124.328 1.051 . . . . 0.0 108.452 171.696 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.535 ' HA ' ' O ' ' A' ' 32' ' ' GLN . 29.8 tt0 -113.1 121.9 45.94 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 176.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.499 ' HA ' ' HG3' ' A' ' 56' ' ' PRO . . . -155.55 176.16 12.96 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 -178.074 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.427 ' HB2' HG22 ' A' ' 54' ' ' ILE . 74.1 m-85 -126.44 112.05 15.16 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.258 -0.428 . . . . 0.0 109.878 175.726 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 11.4 t -104.33 132.62 50.48 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-O 121.026 0.441 . . . . 0.0 110.476 -175.132 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 70.2 mt -104.58 119.0 37.98 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.889 -179.626 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.407 ' HD1' ' CD ' ' A' ' 30' ' ' GLU . 3.8 t60 -104.42 103.53 13.25 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.418 -168.429 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.794 ' HA ' ' HA ' ' A' ' 26' ' ' VAL . 6.5 mp -83.3 159.55 21.88 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 173.303 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.53 -3.66 9.32 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.646 0.26 . . . . 0.0 111.321 178.305 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.429 ' HB2' ' HD3' ' A' ' 50' ' ' ARG . 0.0 OUTLIER -109.77 -47.75 3.31 Favored 'General case' 0 N--CA 1.446 -0.656 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 -179.544 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.441 ' HA ' ' CD1' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -156.88 174.67 15.16 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.137 -177.377 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.479 ' HB2' ' HB2' ' A' ' 3' ' ' LEU . 11.2 m -124.1 135.63 53.68 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.657 0.265 . . . . 0.0 110.745 -178.838 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 4.9 mp -107.88 136.44 43.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 174.775 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 44.4 t -101.7 127.84 48.28 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.64 0.733 . . . . 0.0 110.132 -178.348 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.427 HG22 ' HB2' ' A' ' 43' ' ' PHE . 0.2 OUTLIER -111.43 134.72 52.88 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.872 0 CA-C-N 115.098 -0.955 . . . . 0.0 111.166 -173.907 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.591 ' O ' ' HB2' ' A' ' 58' ' ' ASN . 50.3 t60 -63.3 132.87 95.26 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.344 172.323 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.499 ' HG3' ' HA ' ' A' ' 42' ' ' ALA . 50.3 Cg_exo -53.76 141.48 65.05 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 121.926 1.75 . . . . 0.0 111.789 178.557 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.498 ' HB2' ' O ' ' A' ' 56' ' ' PRO . 21.5 mp0 74.95 17.06 2.82 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 123.428 0.691 . . . . 0.0 111.181 -175.641 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.591 ' HB2' ' O ' ' A' ' 55' ' ' HIS . 6.7 t30 -76.26 130.57 77.2 Favored Pre-proline 0 C--O 1.235 0.301 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 174.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.516 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 3.9 Cg_endo -46.3 -47.75 14.5 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 123.693 2.929 . . . . 0.0 113.045 -177.078 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.723 ' OG ' ' HA ' ' A' ' 17' ' ' PRO . 66.3 m -63.02 -19.43 64.36 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 113.186 0.809 . . . . 0.0 113.186 -176.239 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.91 -39.98 29.2 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 179.742 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 40.9 t -69.39 -50.92 41.58 Favored 'General case' 0 C--O 1.244 0.794 0 CA-C-O 121.375 0.607 . . . . 0.0 110.812 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.516 ' HG2' ' O ' ' A' ' 59' ' ' PRO . 2.7 pt20 -61.17 -27.52 68.47 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.967 177.066 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.52 ' HB2' ' O ' ' A' ' 60' ' ' SER . 5.4 t-105 -61.91 -39.07 90.74 Favored 'General case' 0 C--O 1.22 -0.48 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.342 179.06 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.792 ' HA ' ' NE2' ' A' ' 68' ' ' GLN . 10.4 m-85 -59.05 -35.71 73.78 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.995 0.426 . . . . 0.0 110.812 176.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.424 ' O ' ' HB3' ' A' ' 69' ' ' GLU . 37.1 mt-10 -74.79 -46.89 33.92 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-O 121.708 0.766 . . . . 0.0 110.907 175.746 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.583 ' HB3' ' HE2' ' A' ' 71' ' ' LYS . 16.8 m170 -68.22 -41.39 81.36 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.227 -175.423 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.792 ' NE2' ' HA ' ' A' ' 65' ' ' PHE . 15.5 pt20 -67.23 -26.86 66.8 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 -179.627 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.424 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 8.2 tp10 -60.95 -29.57 69.71 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.151 175.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.413 ' HG2' ' O ' ' A' ' 67' ' ' HIS . 17.4 ptp180 -114.58 12.17 17.2 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -177.046 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.583 ' HE2' ' HB3' ' A' ' 67' ' ' HIS . 61.8 mttm -130.57 -156.17 0.74 Allowed 'General case' 0 N--CA 1.469 0.479 0 O-C-N 122.111 -0.368 . . . . 0.0 110.977 177.726 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.0 mp 52.14 44.24 29.83 Favored 'General case' 0 CA--C 1.513 -0.451 0 N-CA-C 114.253 1.205 . . . . 0.0 114.253 175.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 4.9 t-160 67.61 9.11 6.83 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.649 0.261 . . . . 0.0 111.521 168.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 69.93 21.84 76.89 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.391 -0.909 . . . . 0.0 111.357 -173.53 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.59 125.19 44.39 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 -179.092 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.619 HD12 ' HD2' ' A' ' 77' ' ' PRO . 15.6 tp -150.02 142.5 15.78 Favored Pre-proline 0 N--CA 1.441 -0.913 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 -173.257 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.619 ' HD2' HD12 ' A' ' 76' ' ' LEU . 85.5 Cg_endo -72.25 143.85 40.39 Favored 'Trans proline' 0 C--N 1.326 -0.636 0 C-N-CA 122.69 2.26 . . . . 0.0 111.81 178.379 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 60.5 tttm -78.91 78.77 5.34 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.207 0.527 . . . . 0.0 109.995 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.7 pp -99.84 11.85 38.21 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.088 176.656 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.614 ' O ' ' HG3' ' A' ' 83' ' ' MET . 86.8 m-20 57.7 75.89 0.35 Allowed 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 114.047 -1.433 . . . . 0.0 110.681 -178.138 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.489 ' HA ' ' HE2' ' A' ' 65' ' ' PHE . 5.3 p90 -77.96 13.96 1.25 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.802 -0.635 . . . . 0.0 112.158 -175.029 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -100.56 4.94 56.79 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.221 179.519 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.614 ' HG3' ' O ' ' A' ' 80' ' ' ASN . 0.0 OUTLIER -108.1 -4.66 17.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.871 0.367 . . . . 0.0 111.674 -179.051 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.529 ' O ' HD13 ' A' ' 84' ' ' LEU . 1.6 tm? -109.21 -25.46 10.6 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.129 0.49 . . . . 0.0 109.791 -178.486 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -69.32 137.65 53.14 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.657 -178.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm 70.81 4.36 4.99 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.5 -177.061 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 25.7 mmt -96.48 -34.0 11.65 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.416 0.627 . . . . 0.0 109.421 174.675 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.083 -1.398 . . . . 0.0 110.985 176.583 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 46.0 p90 . . . . . 0 N--CA 1.48 1.034 0 CA-C-O 120.965 0.412 . . . . 0.0 110.474 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.507 ' O ' ' HD3' ' A' ' 4' ' ' PRO . 4.1 pp -123.76 145.74 48.81 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 173.393 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.434 HD13 ' HA ' ' A' ' 3' ' ' LEU . 4.3 mm? -73.58 111.82 13.62 Favored Pre-proline 0 C--N 1.322 -0.621 0 O-C-N 123.162 0.289 . . . . 0.0 110.622 178.864 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.577 ' HB2' ' HB ' ' A' ' 7' ' ' THR . 31.4 Cg_exo -58.74 131.51 42.58 Favored 'Trans proline' 0 N--CA 1.46 -0.468 0 C-N-CA 122.722 2.281 . . . . 0.0 111.651 177.583 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.431 ' HB3' ' CE1' ' A' ' 46' ' ' HIS . 9.7 Cg_endo -53.53 129.56 34.41 Favored 'Trans proline' 0 C--O 1.235 0.369 0 C-N-CA 122.974 2.449 . . . . 0.0 112.367 179.703 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.9 m 70.18 10.91 7.47 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.514 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.577 ' HB ' ' HB2' ' A' ' 4' ' ' PRO . 72.4 m -122.39 81.11 1.8 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 172.436 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -114.72 103.94 11.48 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -169.448 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.452 ' HA ' ' HB2' ' A' ' 38' ' ' CYS . 33.1 t -126.75 35.46 4.61 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 106.387 -1.709 . . . . 0.0 106.387 163.995 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.432 ' O ' HD11 ' A' ' 40' ' ' LEU . 8.3 t -59.11 118.38 5.79 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 113.207 -1.815 . . . . 0.0 110.638 -174.186 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.9 p -85.08 -56.35 3.6 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.323 -179.314 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.419 ' NE2' ' SG ' ' A' ' 10' ' ' CYS . 0.2 OUTLIER -76.54 137.35 39.53 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.549 0.69 . . . . 0.0 111.401 178.062 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.452 HD13 ' HA ' ' A' ' 55' ' ' HIS . 83.2 mt -119.55 144.84 46.84 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 -177.698 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -76.34 -34.72 58.98 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.574 -0.284 . . . . 0.0 110.836 -175.52 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.772 ' HG3' ' H ' ' A' ' 16' ' ' LYS . 5.7 tpt180 63.58 -177.42 0.15 Allowed 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 -176.846 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.772 ' H ' ' HG3' ' A' ' 15' ' ' ARG . 36.4 mtmm 68.41 166.86 0.12 Allowed Pre-proline 0 N--CA 1.466 0.372 0 CA-C-O 120.915 0.388 . . . . 0.0 111.441 177.148 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.5 ' HA ' ' HB2' ' A' ' 60' ' ' SER . 1.7 Cg_endo -84.3 138.33 7.55 Favored 'Trans proline' 0 N--CA 1.454 -0.803 0 C-N-CA 122.754 2.303 . . . . 0.0 111.259 170.486 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.425 ' HB2' HD21 ' A' ' 23' ' ' LEU . 89.3 mt -80.5 144.26 32.66 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.943 -0.392 . . . . 0.0 109.943 178.198 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.6 ' HB2' ' HG ' ' A' ' 22' ' ' LEU . 48.3 m -61.48 147.45 45.22 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.909 179.921 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -56.76 -37.21 70.75 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.879 -177.51 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -56.99 -44.01 82.3 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.955 177.759 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.6 ' HG ' ' HB2' ' A' ' 19' ' ' SER . 1.0 OUTLIER -73.38 -43.47 60.54 Favored 'General case' 0 CA--C 1.512 -0.493 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 -179.709 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.514 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 33.7 mt -58.53 -49.13 78.51 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 115.087 -0.961 . . . . 0.0 111.95 -174.214 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -61.71 -9.45 6.37 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -177.67 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 47.3 mtmt -99.52 -7.46 25.92 Favored 'General case' 0 C--O 1.236 0.395 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.816 179.623 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.679 HG22 ' HG ' ' A' ' 47' ' ' LEU . 39.9 t -74.82 133.39 31.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 175.608 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 19.8 pt -110.14 -22.72 4.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 112.445 0.535 . . . . 0.0 112.445 -173.519 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.438 ' OE1' ' HG3' ' A' ' 77' ' ' PRO . 70.2 mm-40 -149.16 156.98 43.0 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.964 0.411 . . . . 0.0 111.651 -179.462 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 43.8 t -112.94 128.5 69.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.401 177.33 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -119.16 139.37 51.93 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.937 0.398 . . . . 0.0 110.655 -176.361 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.461 HD13 ' CZ ' ' A' ' 43' ' ' PHE . 42.3 tp -105.13 119.43 39.02 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.15 0.5 . . . . 0.0 111.304 -179.285 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -87.02 104.7 16.56 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 170.609 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -74.28 144.6 44.52 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.778 -176.71 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.716 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . . . -78.14 5.76 9.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.515 -176.833 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -157.77 -30.79 0.08 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.966 179.612 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -71.0 3.29 13.75 Favored Glycine 0 CA--C 1.521 0.468 0 C-N-CA 120.996 -0.621 . . . . 0.0 113.383 -179.822 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -165.29 -65.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.408 0.623 . . . . 0.0 109.979 178.198 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.452 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 11.5 t -111.29 164.52 12.82 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.176 -0.92 . . . . 0.0 109.363 -175.336 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.3 p-80 -91.5 30.04 1.38 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.078 0.465 . . . . 0.0 111.782 179.873 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.432 HD11 ' O ' ' A' ' 10' ' ' CYS . 1.0 OUTLIER -158.34 151.7 23.11 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 171.493 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.716 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 9.4 tt0 -98.44 143.85 28.44 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.952 0.406 . . . . 0.0 111.078 -175.331 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -153.84 152.13 30.32 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.122 176.876 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.531 ' CB ' ' HG ' ' A' ' 61' ' ' LEU . 16.5 m-85 -111.5 106.61 15.54 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 172.729 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.4 t -105.97 126.84 61.42 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.406 -170.56 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.7 mt -95.81 131.14 42.43 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.478 -176.791 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.431 ' CE1' ' HB3' ' A' ' 5' ' ' PRO . 70.5 t60 -108.2 112.01 24.29 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.276 0.56 . . . . 0.0 110.99 -177.121 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.679 ' HG ' HG22 ' A' ' 26' ' ' VAL . 4.4 mp -89.22 164.83 14.8 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 172.88 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.55 0.45 12.54 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.043 0.449 . . . . 0.0 110.814 178.569 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -117.18 -28.47 6.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.122 179.432 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.5 ptm180 -165.81 175.54 8.64 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.885 -0.326 . . . . 0.0 111.467 -168.434 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.8 m -127.09 139.03 53.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 109.973 177.423 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 63.4 mt -125.87 136.76 59.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 -179.708 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 66.9 m -100.07 121.06 40.8 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.305 0.574 . . . . 0.0 110.472 -174.797 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.516 ' HB ' ' O ' ' A' ' 43' ' ' PHE . 5.4 mt -111.2 141.38 26.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.982 -177.328 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.452 ' HA ' HD13 ' A' ' 13' ' ' LEU . 50.2 t-80 -62.48 127.88 90.64 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.677 173.978 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -46.99 -58.83 1.5 Allowed 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 123.045 2.497 . . . . 0.0 113.318 -174.903 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -77.65 72.86 4.21 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.131 0.491 . . . . 0.0 110.077 176.669 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.403 ' HB2' ' O ' ' A' ' 55' ' ' HIS . 3.2 m-20 -131.35 137.47 30.61 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.118 177.343 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -61.18 -30.32 88.46 Favored 'Trans proline' 0 N--CA 1.463 -0.284 0 C-N-CA 122.58 2.187 . . . . 0.0 111.708 176.954 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.5 ' HB2' ' HA ' ' A' ' 17' ' ' PRO . 27.0 t -66.17 -32.59 74.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.846 -175.635 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.531 ' HG ' ' CB ' ' A' ' 43' ' ' PHE . 1.0 OUTLIER -80.35 -46.47 16.03 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.287 -176.873 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.3 p -64.22 -47.65 78.87 Favored 'General case' 0 C--O 1.248 0.978 0 CA-C-O 121.653 0.739 . . . . 0.0 110.674 179.919 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -61.07 -28.7 69.26 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.303 177.615 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.514 ' CZ3' ' HB3' ' A' ' 23' ' ' LEU . 23.2 t-105 -62.98 -38.74 92.36 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.676 -179.075 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -54.41 -42.35 70.36 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.143 0.497 . . . . 0.0 110.143 176.549 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.475 ' O ' ' HB3' ' A' ' 69' ' ' GLU . 47.3 mt-10 -75.36 -41.35 56.66 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 121.326 0.584 . . . . 0.0 111.183 177.211 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.47 ' HB2' ' HA ' ' A' ' 64' ' ' TRP . 9.5 m170 -63.69 -45.48 89.84 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.601 -177.279 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.502 ' HG2' ' O ' ' A' ' 64' ' ' TRP . 11.1 pt20 -68.07 -26.32 65.78 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.791 0.329 . . . . 0.0 110.269 -179.851 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.475 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 42.0 tt0 -58.01 -34.58 70.16 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.294 177.244 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.4 ptt180 -105.42 10.97 33.15 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 178.447 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 62.9 mttm -127.13 -159.18 0.92 Allowed 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 175.781 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.9 mp 59.3 -83.08 0.02 OUTLIER 'General case' 0 C--N 1.342 0.26 0 O-C-N 123.511 0.507 . . . . 0.0 111.533 -178.317 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 12.7 t-80 -156.1 5.15 0.18 Allowed 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.375 -176.756 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 77.02 18.14 79.02 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.794 -0.717 . . . . 0.0 111.337 -172.892 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 16.6 p -129.84 147.15 51.58 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-O 120.854 0.359 . . . . 0.0 110.659 -175.291 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.536 ' C ' HD12 ' A' ' 76' ' ' LEU . 2.8 pp -156.29 159.97 31.08 Favored Pre-proline 0 C--N 1.321 -0.672 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 179.739 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.438 ' HG3' ' OE1' ' A' ' 28' ' ' GLN . 64.1 Cg_endo -86.92 177.28 4.12 Favored 'Trans proline' 0 N--CA 1.46 -0.487 0 C-N-CA 122.3 2.0 . . . . 0.0 112.665 -179.049 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -79.88 82.27 5.99 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.366 0.603 . . . . 0.0 110.974 -178.726 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.481 ' HB3' ' CD2' ' A' ' 81' ' ' PHE . 78.1 mt -95.47 115.56 27.6 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.305 179.17 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -75.0 38.0 0.12 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.054 175.337 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.481 ' CD2' ' HB3' ' A' ' 79' ' ' LEU . 21.9 m-85 -99.95 15.56 26.77 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-O 121.012 0.434 . . . . 0.0 110.386 -178.079 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.849 ' HA2' ' HG3' ' A' ' 85' ' ' ARG . . . -64.89 -15.1 59.71 Favored Glycine 0 C--O 1.226 -0.389 0 N-CA-C 111.347 -0.701 . . . . 0.0 111.347 175.468 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.42 ' HG3' ' HG ' ' A' ' 84' ' ' LEU . 24.1 ptt? -46.76 -29.36 1.88 Allowed 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 124.257 1.023 . . . . 0.0 113.032 178.536 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.42 ' HG ' ' HG3' ' A' ' 83' ' ' MET . 0.7 OUTLIER -126.14 12.05 7.67 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 112.786 0.661 . . . . 0.0 112.786 -175.277 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.849 ' HG3' ' HA2' ' A' ' 82' ' ' GLY . 30.8 mtm180 -74.97 97.32 3.34 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.413 -179.444 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 40.1 mtmt 62.65 15.6 8.16 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 121.353 0.597 . . . . 0.0 111.244 -178.918 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 63.4 mtm -126.69 12.61 7.4 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.767 177.039 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.891 0 CA-C-O 118.8 -1.0 . . . . 0.0 111.242 179.791 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 81.7 t80 . . . . . 0 N--CA 1.476 0.846 0 CA-C-O 121.439 0.638 . . . . 0.0 110.114 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 15.2 tp -139.61 107.45 5.67 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.011 179.184 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.406 ' HA ' HD23 ' A' ' 3' ' ' LEU . 29.0 mt -63.94 110.97 4.42 Favored Pre-proline 0 N--CA 1.447 -0.597 0 CA-C-O 120.926 0.393 . . . . 0.0 110.393 175.641 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.666 ' HB2' ' HB ' ' A' ' 7' ' ' THR . 52.1 Cg_exo -55.02 129.18 33.95 Favored 'Trans proline' 0 N--CA 1.461 -0.39 0 C-N-CA 123.02 2.48 . . . . 0.0 112.506 -174.672 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.444 ' HD2' ' HA ' ' A' ' 4' ' ' PRO . 5.7 Cg_endo -53.13 130.19 36.99 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 122.879 2.386 . . . . 0.0 112.087 177.56 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.9 m 68.27 14.61 9.24 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.167 179.747 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.666 ' HB ' ' HB2' ' A' ' 4' ' ' PRO . 24.8 m -123.77 91.7 3.52 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 172.55 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.43 ' O ' ' HG3' ' A' ' 32' ' ' GLN . . . -101.67 105.94 16.92 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.742 -169.829 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 34.5 t -144.23 66.53 1.27 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.603 0.716 . . . . 0.0 109.679 172.827 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 83.0 m -76.24 118.95 19.49 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.831 -179.9 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -95.33 2.12 54.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.436 0.636 . . . . 0.0 110.573 173.403 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -128.13 161.76 28.49 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.736 174.022 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 95.4 mt -137.78 139.91 40.3 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.319 -176.623 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.439 ' CE2' ' HB2' ' A' ' 16' ' ' LYS . 61.4 t80 -66.68 -44.0 82.97 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.825 177.916 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.435 HH11 ' HD2' ' A' ' 15' ' ' ARG . 62.3 mtt85 73.37 -38.1 0.4 Allowed 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 115.617 -0.719 . . . . 0.0 112.918 172.647 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.439 ' HB2' ' CE2' ' A' ' 14' ' ' TYR . 65.4 mttm -73.9 154.09 88.96 Favored Pre-proline 0 C--N 1.323 -0.585 0 N-CA-C 110.389 -0.226 . . . . 0.0 110.389 176.176 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_exo -70.85 143.78 46.49 Favored 'Trans proline' 0 N--CA 1.459 -0.515 0 C-N-CA 122.53 2.154 . . . . 0.0 111.836 176.148 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.904 ' HB3' HD11 ' A' ' 22' ' ' LEU . 70.1 mt -89.34 136.98 32.72 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.497 179.305 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.678 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 20.2 m -66.55 142.42 57.51 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.72 178.985 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.551 ' OD1' ' HE3' ' A' ' 71' ' ' LYS . 20.5 t70 -60.47 -29.52 69.09 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.168 0.508 . . . . 0.0 111.063 -176.555 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -56.78 -46.75 81.31 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.557 178.181 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.904 HD11 ' HB3' ' A' ' 18' ' ' LEU . 4.2 pp -75.85 -29.36 58.54 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.818 176.958 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.511 HD12 ' HA ' ' A' ' 20' ' ' ASP . 69.3 mt -60.39 -45.43 93.57 Favored 'General case' 0 C--O 1.223 -0.34 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.624 -177.481 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -60.96 0.03 0.26 Allowed 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 -178.197 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.619 ' NZ ' ' HA ' ' A' ' 22' ' ' LEU . 35.9 mtmm -113.54 -3.52 13.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.59 0.233 . . . . 0.0 111.164 177.254 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.732 HG22 ' HG ' ' A' ' 47' ' ' LEU . 22.4 t -76.72 94.63 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.452 0.644 . . . . 0.0 109.38 -179.594 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.425 ' CD1' ' HB2' ' A' ' 48' ' ' ALA . 42.0 pt -76.66 -25.34 16.0 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.885 0 CA-C-N 115.235 -0.893 . . . . 0.0 112.303 -169.868 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -137.61 146.18 43.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.867 0.365 . . . . 0.0 111.56 -176.386 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.6 t -113.85 120.21 63.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 174.654 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -112.07 132.99 54.5 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.018 0.437 . . . . 0.0 111.006 -171.515 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 41.2 tp -97.67 105.65 17.83 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.123 0.487 . . . . 0.0 110.03 176.682 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.452 ' O ' ' HA ' ' A' ' 41' ' ' GLN . 39.0 tt0 -71.04 104.43 3.0 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.31 174.758 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -77.48 141.67 39.54 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.498 -179.195 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.477 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . . . -82.24 4.45 23.52 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.542 -179.253 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -139.8 -42.42 0.44 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.994 179.82 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -67.9 -21.36 73.27 Favored Glycine 0 C--N 1.332 0.331 0 C-N-CA 121.053 -0.594 . . . . 0.0 113.196 -177.34 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -141.95 -65.48 0.42 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.373 0.606 . . . . 0.0 110.164 -178.005 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 17.2 t -99.47 -171.03 1.99 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.485 -174.388 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 45.3 p-80 -106.0 -4.65 20.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.308 0.575 . . . . 0.0 109.577 172.816 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.4 tt -128.42 138.92 52.55 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.213 -0.903 . . . . 0.0 108.744 -179.669 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.477 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 29.0 tt0 -94.58 131.37 40.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.133 0.492 . . . . 0.0 111.23 -177.818 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.707 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -142.25 170.36 15.86 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.055 -177.791 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.402 ' O ' ' HB ' ' A' ' 54' ' ' ILE . 2.7 m-85 -121.7 103.49 8.92 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 173.663 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.464 HG13 ' O ' ' A' ' 52' ' ' ILE . 73.8 t -102.64 138.92 25.1 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 CA-C-O 121.195 0.521 . . . . 0.0 111.125 -171.704 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.526 HD12 HD12 ' A' ' 18' ' ' LEU . 72.4 mt -105.7 125.27 50.79 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.642 -177.299 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.409 ' HD2' ' HA ' ' A' ' 48' ' ' ALA . 0.6 OUTLIER -105.5 111.97 24.88 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.668 -175.911 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.815 ' HB2' ' HB2' ' A' ' 50' ' ' ARG . 6.1 mp -96.04 12.09 31.78 Favored 'General case' 0 CA--C 1.506 -0.725 0 CA-C-N 115.193 -0.912 . . . . 0.0 109.011 179.301 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.425 ' HB2' ' CD1' ' A' ' 27' ' ' ILE . . . 80.96 -65.32 0.15 Allowed 'General case' 0 C--N 1.305 -1.36 0 CA-C-N 112.614 -2.085 . . . . 0.0 109.973 172.116 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 18.9 mp0 -79.51 -22.09 44.43 Favored 'General case' 0 C--N 1.311 -1.105 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 173.607 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.815 ' HB2' ' HB2' ' A' ' 47' ' ' LEU . 72.9 mtt180 -120.1 154.85 34.1 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 115.604 -0.726 . . . . 0.0 111.659 178.599 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.1 m -142.23 124.1 15.22 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 173.613 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.464 ' O ' HG13 ' A' ' 44' ' ' VAL . 67.8 mt -123.14 140.37 47.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.252 -175.954 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.415 ' HA ' HG22 ' A' ' 44' ' ' VAL . 63.1 m -101.35 121.51 42.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.543 0.687 . . . . 0.0 111.184 -173.185 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.402 ' HB ' ' O ' ' A' ' 43' ' ' PHE . 49.0 mt -130.7 148.44 33.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.04 -0.982 . . . . 0.0 109.404 -178.755 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 5.3 p80 -99.7 155.89 35.98 Favored Pre-proline 0 C--N 1.328 -0.336 0 O-C-N 121.781 -0.574 . . . . 0.0 110.161 178.044 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.707 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 62.2 Cg_exo -50.57 147.24 17.85 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 123.202 2.601 . . . . 0.0 112.638 177.258 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 67.4 mt-30 70.95 29.54 2.99 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.28 175.843 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -97.47 134.78 22.18 Favored Pre-proline 0 C--N 1.326 -0.415 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 171.696 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.42 ' O ' ' HG3' ' A' ' 63' ' ' GLN . 73.1 Cg_exo -49.26 -36.95 38.76 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 123.061 2.508 . . . . 0.0 113.148 -177.665 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.3 t -67.84 -37.87 82.45 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.726 -0.216 . . . . 0.0 111.029 -176.227 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.28 -47.04 59.34 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 -176.902 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 25.1 m -61.29 -48.14 82.75 Favored 'General case' 0 C--O 1.242 0.68 0 CA-C-O 121.043 0.449 . . . . 0.0 111.222 178.997 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.42 ' HG3' ' O ' ' A' ' 59' ' ' PRO . 46.2 mt-30 -61.57 -33.16 73.4 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.375 178.833 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.445 ' CZ2' ' HB ' ' A' ' 26' ' ' VAL . 14.1 t-105 -65.67 -35.98 82.34 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.696 179.343 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -53.44 -46.22 69.75 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.902 0.382 . . . . 0.0 110.746 176.007 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.463 ' O ' ' HB3' ' A' ' 69' ' ' GLU . 46.0 mt-10 -81.05 -36.94 29.87 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-O 121.3 0.571 . . . . 0.0 111.106 -178.269 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 8.6 m170 -65.88 -44.93 83.89 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.806 -179.307 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -63.33 -29.78 71.03 Favored 'General case' 0 CA--C 1.521 -0.167 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 178.948 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.463 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 12.5 tp10 -55.75 -32.24 63.24 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.575 178.872 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 21.6 ptt180 -111.95 10.66 20.59 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 112.492 0.552 . . . . 0.0 112.492 -178.744 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.551 ' HE3' ' OD1' ' A' ' 20' ' ' ASP . 59.3 mttm -124.59 -149.08 0.41 Allowed 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 -177.196 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.494 HD22 ' N ' ' A' ' 72' ' ' LEU . 2.5 mm? 56.52 -83.28 0.01 OUTLIER 'General case' 0 C--N 1.35 0.618 0 C-N-CA 123.516 0.726 . . . . 0.0 111.802 -171.668 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.424 ' HB2' ' O ' ' A' ' 72' ' ' LEU . 17.7 t-160 172.78 21.83 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 -177.509 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 80.87 -6.19 63.1 Favored Glycine 0 N--CA 1.45 -0.4 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 -169.956 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.2 p -85.01 108.96 17.86 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 115.241 -0.479 . . . . 0.0 110.678 178.917 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.418 HD21 HD23 ' A' ' 72' ' ' LEU . 72.7 mt -144.54 154.27 56.16 Favored Pre-proline 0 C--N 1.319 -0.731 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 -177.902 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -81.5 166.59 17.73 Favored 'Trans proline' 0 N--CA 1.45 -1.034 0 C-N-CA 122.339 2.026 . . . . 0.0 111.365 178.282 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -77.64 71.06 4.1 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.803 0.811 . . . . 0.0 111.258 -176.466 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 55.0 mt -78.02 108.71 11.5 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.586 179.556 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -89.72 27.94 1.43 Allowed 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.587 0.708 . . . . 0.0 109.489 173.492 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.566 ' HA ' ' SD ' ' A' ' 83' ' ' MET . 93.5 m-85 -97.84 39.56 1.21 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.609 -175.943 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -73.18 -14.63 78.95 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.073 179.77 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.566 ' SD ' ' HA ' ' A' ' 81' ' ' PHE . 0.0 OUTLIER -71.46 -11.07 60.69 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.835 0.35 . . . . 0.0 110.777 -179.598 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.5 ' O ' HD13 ' A' ' 84' ' ' LEU . 0.7 OUTLIER -88.66 -21.21 24.07 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.432 0.634 . . . . 0.0 109.441 179.075 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -73.73 136.37 43.68 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.802 -177.379 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? 76.18 -13.49 0.9 Allowed 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 114.827 -1.079 . . . . 0.0 110.964 -178.772 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 25.3 mmt -69.14 -36.8 77.84 Favored 'General case' 0 CA--C 1.513 -0.447 0 N-CA-C 107.821 -1.178 . . . . 0.0 107.821 167.417 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.085 0 CA-C-N 114.242 -1.345 . . . . 0.0 110.65 171.943 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 77.4 t80 . . . . . 0 N--CA 1.481 1.12 0 CA-C-O 120.399 0.142 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.1 pp -66.77 140.77 57.87 Favored 'General case' 0 C--O 1.236 0.36 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 179.356 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.405 HD13 ' HA ' ' A' ' 3' ' ' LEU . 4.1 mm? -81.06 118.33 71.91 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.581 -178.972 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.431 ' C ' ' H ' ' A' ' 6' ' ' SER . 24.3 Cg_exo -63.43 138.47 65.71 Favored 'Trans proline' 0 N--CA 1.464 -0.261 0 C-N-CA 122.988 2.459 . . . . 0.0 111.701 178.938 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -72.58 23.24 0.28 Allowed 'Trans proline' 0 N--CA 1.475 0.385 0 C-N-CA 123.15 2.566 . . . . 0.0 113.575 -176.78 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.431 ' H ' ' C ' ' A' ' 4' ' ' PRO . 57.1 m -154.14 20.73 0.5 Allowed 'General case' 0 C--N 1.306 -1.307 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.526 179.672 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 27.3 m -142.96 78.33 1.6 Allowed 'General case' 0 N--CA 1.447 -0.59 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 178.794 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.434 ' HB1' ' HB2' ' A' ' 32' ' ' GLN . . . -78.82 86.45 4.74 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.64 -177.574 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 22.2 t -149.12 75.9 1.31 Allowed 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.315 -0.857 . . . . 0.0 108.982 174.027 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -83.52 123.29 29.59 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 114.659 -1.155 . . . . 0.0 109.684 -178.571 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.1 p -76.56 -15.16 59.93 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.066 -0.515 . . . . 0.0 112.113 -175.636 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.04 165.32 27.69 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.926 0.393 . . . . 0.0 110.923 -178.083 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.508 HD13 ' HB3' ' A' ' 55' ' ' HIS . 87.3 mt -129.79 144.96 51.56 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.523 -178.095 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.448 ' O ' ' HB3' ' A' ' 15' ' ' ARG . 19.4 t80 -71.79 -37.38 70.42 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.894 -0.322 . . . . 0.0 110.732 -176.84 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.448 ' HB3' ' O ' ' A' ' 14' ' ' TYR . 43.6 ttt180 74.82 -42.38 0.49 Allowed 'General case' 0 N--CA 1.468 0.47 0 O-C-N 123.729 0.643 . . . . 0.0 112.209 173.193 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -69.74 152.46 96.12 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 122.416 -0.178 . . . . 0.0 110.543 176.302 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -68.01 144.14 62.84 Favored 'Trans proline' 0 N--CA 1.461 -0.427 0 C-N-CA 122.084 1.856 . . . . 0.0 110.658 170.385 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.889 ' HB3' HD11 ' A' ' 22' ' ' LEU . 60.0 mt -87.55 142.09 28.11 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.897 0.379 . . . . 0.0 111.479 -174.559 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.532 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 49.6 m -66.1 145.01 56.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.393 -179.372 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -62.56 -34.74 77.56 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.822 -175.773 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.417 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 28.9 mtpp -62.6 -45.66 91.87 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.969 -177.269 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.889 HD11 ' HB3' ' A' ' 18' ' ' LEU . 4.7 pp -74.03 -27.78 61.11 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 121.003 -0.279 . . . . 0.0 110.767 177.88 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 19' ' ' SER . 66.1 mt -62.97 -45.49 92.17 Favored 'General case' 0 C--O 1.224 -0.248 0 CA-C-O 120.472 0.177 . . . . 0.0 111.292 179.938 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.6 ' HB3' ' HD3' ' A' ' 71' ' ' LYS . 16.4 ptp180 -67.49 4.96 0.87 Allowed 'General case' 0 CA--C 1.536 0.435 0 CA-C-O 120.804 0.335 . . . . 0.0 111.726 179.614 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -118.92 11.68 12.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.032 176.282 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 37.8 t -79.04 144.19 11.4 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 CA-C-N 116.323 -0.399 . . . . 0.0 109.986 177.222 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.418 HG12 ' O ' ' A' ' 46' ' ' HIS . 25.3 pt -110.48 -35.2 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 C-N-CA 120.508 -0.477 . . . . 0.0 112.277 -177.023 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 18.3 mm-40 -145.86 157.64 43.9 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.952 0.406 . . . . 0.0 111.585 -177.194 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.577 ' HB ' ' HG3' ' A' ' 77' ' ' PRO . 45.3 t -120.35 121.59 66.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 173.501 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -114.97 157.12 23.85 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.631 0.253 . . . . 0.0 111.289 -171.353 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.505 HD13 ' CE2' ' A' ' 43' ' ' PHE . 48.6 tp -119.56 116.19 25.54 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 121.28 0.562 . . . . 0.0 111.038 179.381 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.434 ' HB2' ' HB1' ' A' ' 8' ' ' ALA . 44.5 tt0 -94.54 116.39 28.72 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.028 -0.987 . . . . 0.0 109.223 173.094 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -79.87 154.62 28.25 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.878 0.371 . . . . 0.0 111.593 -174.516 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.738 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . . . -82.89 12.37 4.96 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.885 -0.598 . . . . 0.0 112.053 -174.556 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -170.77 12.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.105 0.478 . . . . 0.0 110.272 179.218 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -93.16 -90.95 1.55 Allowed Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.662 -0.78 . . . . 0.0 111.603 -179.07 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -96.97 7.19 47.19 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.134 0.493 . . . . 0.0 110.415 179.68 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.9 t -164.01 177.41 8.51 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.838 179.325 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 70.0 t60 -88.27 -41.61 12.8 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -177.211 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.646 HD13 ' H ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -102.19 154.25 19.19 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.467 -0.493 . . . . 0.0 110.881 -179.169 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.738 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 36.7 tt0 -93.69 130.28 39.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.15 -177.444 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.481 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -147.1 127.9 14.36 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.14 0.495 . . . . 0.0 111.534 -177.206 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.55 ' HB3' ' HG ' ' A' ' 61' ' ' LEU . 0.7 OUTLIER -88.96 109.82 20.58 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 170.197 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.0 t -97.02 126.24 49.83 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.205 -170.206 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.841 HD12 HD12 ' A' ' 18' ' ' LEU . 29.6 mt -92.71 108.33 19.9 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.859 0.838 . . . . 0.0 109.419 175.911 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.418 ' O ' HG12 ' A' ' 27' ' ' ILE . 3.7 t60 -95.91 111.76 23.67 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.441 -170.36 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.416 ' HB2' ' O ' ' A' ' 50' ' ' ARG . 6.2 mp -94.61 157.43 15.98 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 172.303 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.55 -12.71 55.42 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.834 0.35 . . . . 0.0 111.586 -177.992 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -106.46 -37.24 6.55 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.277 -175.168 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.416 ' O ' ' HB2' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -160.63 154.37 22.48 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.342 177.608 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 6.9 m -98.89 134.99 40.97 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.479 178.222 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.596 HG21 HD21 ' A' ' 18' ' ' LEU . 53.9 mt -112.98 128.96 69.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 177.532 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 56.9 m -102.25 126.21 49.18 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.698 0.761 . . . . 0.0 111.349 -172.415 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -124.28 146.75 29.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 114.919 -1.037 . . . . 0.0 109.839 -177.73 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.508 ' HB3' HD13 ' A' ' 13' ' ' LEU . 3.5 p80 -83.81 138.88 40.34 Favored Pre-proline 0 C--N 1.327 -0.412 0 C-N-CA 119.795 -0.762 . . . . 0.0 109.301 173.204 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.481 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 70.9 Cg_exo -50.54 -24.21 12.14 Favored 'Trans proline' 0 N--CA 1.48 0.716 0 C-N-CA 123.678 2.918 . . . . 0.0 114.237 -174.082 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.45 ' HB2' ' CE1' ' A' ' 55' ' ' HIS . 23.2 mp0 -80.8 7.77 9.67 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.257 -178.028 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.46 ' HA ' ' HD2' ' A' ' 59' ' ' PRO . 47.5 t-20 -90.62 121.34 68.4 Favored Pre-proline 0 C--N 1.329 -0.288 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 176.452 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.46 ' HD2' ' HA ' ' A' ' 58' ' ' ASN . 3.5 Cg_endo -48.47 -35.05 27.56 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 123.853 3.035 . . . . 0.0 113.156 178.763 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.2 m -60.0 -31.67 70.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.229 -0.441 . . . . 0.0 112.054 -173.768 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.55 ' HG ' ' HB3' ' A' ' 43' ' ' PHE . 0.8 OUTLIER -69.28 -44.16 72.39 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-O 120.663 0.268 . . . . 0.0 110.402 -178.165 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.448 ' HA ' ' CD2' ' A' ' 65' ' ' PHE . 41.2 t -70.7 -49.36 47.89 Favored 'General case' 0 C--O 1.24 0.6 0 CA-C-O 121.352 0.596 . . . . 0.0 110.869 -178.001 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -60.45 -27.3 67.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.246 177.564 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.495 ' CE2' ' HB3' ' A' ' 68' ' ' GLN . 22.8 t-105 -65.44 -36.65 84.56 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.868 176.282 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.448 ' CD2' ' HA ' ' A' ' 62' ' ' SER . 26.3 m-85 -53.37 -46.91 69.8 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.078 0.466 . . . . 0.0 109.97 176.204 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.495 ' O ' ' HB3' ' A' ' 69' ' ' GLU . 41.5 mt-10 -65.81 -45.98 80.31 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 121.897 0.856 . . . . 0.0 110.935 178.385 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.587 ' O ' ' HG3' ' A' ' 71' ' ' LYS . 35.9 m80 -76.69 -24.71 53.17 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.732 -0.667 . . . . 0.0 112.418 -170.881 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.495 ' HB3' ' CE2' ' A' ' 64' ' ' TRP . 4.9 pt20 -79.63 -18.61 51.13 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.293 -0.563 . . . . 0.0 110.035 175.527 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.495 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 12.3 tp10 -65.38 -27.85 68.86 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 170.876 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.3 ptp180 -108.94 1.69 20.89 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 112.273 0.472 . . . . 0.0 112.273 179.176 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.6 ' HD3' ' HB3' ' A' ' 24' ' ' ARG . 71.6 mttt -119.3 -170.5 1.94 Allowed 'General case' 0 CA--C 1.515 -0.38 0 O-C-N 122.063 -0.398 . . . . 0.0 110.223 174.077 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.3 mt 56.88 -76.71 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.456 0 O-C-N 124.321 1.013 . . . . 0.0 111.927 177.578 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 21.3 t-80 -170.87 10.16 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 -175.28 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 78.12 40.37 20.68 Favored Glycine 0 N--CA 1.449 -0.491 0 N-CA-C 110.684 -0.967 . . . . 0.0 110.684 -169.987 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.5 p -113.63 132.89 55.59 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-O 120.692 0.282 . . . . 0.0 110.772 -175.383 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.566 ' C ' HD12 ' A' ' 76' ' ' LEU . 4.1 pp -164.62 153.0 10.86 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.459 -178.015 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.577 ' HG3' ' HB ' ' A' ' 29' ' ' VAL . 74.9 Cg_endo -77.53 112.94 3.43 Favored 'Trans proline' 0 N--CA 1.46 -0.5 0 C-N-CA 122.18 1.92 . . . . 0.0 112.052 178.554 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.559 ' HA ' ' OXT' ' A' ' 88' ' ' GLY . 94.3 mttt -83.27 94.94 8.02 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.073 -178.973 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.467 HD13 ' CE2' ' A' ' 81' ' ' PHE . 0.4 OUTLIER -149.52 21.3 0.93 Allowed 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.529 0.566 . . . . 0.0 112.529 -176.2 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.438 ' HA ' ' HB2' ' A' ' 84' ' ' LEU . 43.6 m-80 8.79 99.19 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.378 0 O-C-N 125.062 1.476 . . . . 0.0 114.893 174.2 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.673 ' H ' HD23 ' A' ' 84' ' ' LEU . 35.0 m-85 -106.58 20.09 19.51 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 122.341 -0.224 . . . . 0.0 111.574 177.665 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 95.35 -36.08 3.98 Favored Glycine 0 C--O 1.228 -0.28 0 C-N-CA 120.543 -0.836 . . . . 0.0 112.385 -179.483 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.26 14.26 32.53 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.319 0.58 . . . . 0.0 110.544 178.042 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 1.05 HD12 ' HA3' ' A' ' 88' ' ' GLY . 1.4 mm? -84.21 6.15 23.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.775 -179.552 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 19.6 mmm180 58.11 26.31 13.5 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-O 121.617 0.722 . . . . 0.0 111.309 175.691 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 16.3 ttmm 48.31 21.92 0.4 Allowed 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 114.079 -1.419 . . . . 0.0 112.285 -176.848 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 24.0 ptp -116.24 -1.12 12.44 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 121.886 -0.509 . . . . 0.0 109.71 177.903 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 1.05 ' HA3' HD12 ' A' ' 84' ' ' LEU . . . . . . . . 0 C--O 1.256 1.486 0 CA-C-O 118.064 -1.409 . . . . 0.0 111.102 178.681 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 42.4 p90 . . . . . 0 N--CA 1.478 0.948 0 CA-C-O 121.17 0.509 . . . . 0.0 110.446 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.637 ' O ' ' HD3' ' A' ' 4' ' ' PRO . 9.4 tt -120.66 139.36 53.13 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 176.56 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.435 HD13 ' HA ' ' A' ' 3' ' ' LEU . 4.1 mm? -87.73 106.34 11.47 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-O 120.868 0.366 . . . . 0.0 110.64 -178.827 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.637 ' HD3' ' O ' ' A' ' 2' ' ' LEU . 19.4 Cg_exo -66.04 152.41 81.37 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 123.143 2.562 . . . . 0.0 112.111 179.914 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.652 ' HA ' ' HE1' ' A' ' 46' ' ' HIS . 51.2 Cg_exo -54.77 123.5 13.88 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.964 2.443 . . . . 0.0 112.523 -179.742 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.8 t 71.72 10.93 6.38 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.61 177.514 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 22.8 m -121.45 90.54 3.33 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 177.562 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -140.19 86.8 2.1 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-O 121.243 0.544 . . . . 0.0 111.956 -175.494 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.686 ' HA ' ' HB2' ' A' ' 38' ' ' CYS . 48.6 t -105.02 88.29 2.84 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 107.626 -1.249 . . . . 0.0 107.626 168.313 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.637 ' O ' HD21 ' A' ' 40' ' ' LEU . 59.8 m -69.37 118.37 12.17 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.84 -1.073 . . . . 0.0 112.023 -171.975 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 25.4 p -98.0 11.62 36.93 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.581 170.818 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -158.86 160.92 36.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.392 -179.073 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.407 HD13 ' HB2' ' A' ' 55' ' ' HIS . 77.1 mt -136.59 137.27 39.98 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 177.995 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.442 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 48.0 t80 -65.52 -43.79 88.95 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 -174.672 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.447 ' HA ' ' OD1' ' A' ' 58' ' ' ASN . 73.8 mtt180 75.69 -26.9 0.19 Allowed 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 113.593 0.96 . . . . 0.0 113.593 174.203 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -101.29 165.59 13.85 Favored Pre-proline 0 C--N 1.321 -0.643 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -172.15 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.509 ' HA ' ' HB2' ' A' ' 60' ' ' SER . 13.0 Cg_exo -72.18 120.88 7.08 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 123.151 2.567 . . . . 0.0 111.703 172.653 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.651 HD21 HG21 ' A' ' 52' ' ' ILE . 6.0 mp -75.49 156.75 34.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.7 0.286 . . . . 0.0 110.245 179.554 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.658 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 20.8 m -64.68 129.86 41.41 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.825 179.742 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.547 ' OD1' ' HE3' ' A' ' 71' ' ' LYS . 21.0 t70 -61.27 -28.34 69.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.181 0.515 . . . . 0.0 110.748 -178.07 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.438 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 93.0 mttt -57.5 -47.53 81.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.866 177.615 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.658 ' HG ' ' O ' ' A' ' 19' ' ' SER . 4.5 pp -75.83 -27.5 57.9 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.994 -0.282 . . . . 0.0 110.583 177.069 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.669 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 61.5 mt -60.78 -47.29 86.98 Favored 'General case' 0 C--O 1.226 -0.176 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.202 -179.156 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.438 ' HG2' ' O ' ' A' ' 21' ' ' LYS . 37.5 ptt180 -62.9 -1.9 1.04 Allowed 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -179.544 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.428 ' HE2' ' HA ' ' A' ' 22' ' ' LEU . 48.3 mtmt -110.18 0.35 18.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.694 0.283 . . . . 0.0 111.034 178.537 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.546 ' O ' ' HG ' ' A' ' 72' ' ' LEU . 48.7 t -75.79 107.21 6.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 177.788 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 18.9 pt -67.55 -36.42 76.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.996 -174.471 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 39.4 mm-40 -155.63 158.64 38.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.124 0.488 . . . . 0.0 111.645 -177.021 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 30.0 m -106.96 151.25 8.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.463 172.796 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.56 ' CG ' ' HB ' ' A' ' 44' ' ' VAL . 15.1 pt-20 -134.43 135.54 42.62 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.278 0.561 . . . . 0.0 110.647 179.728 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 38.1 tp -96.17 111.03 23.2 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.952 177.66 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.78 106.88 15.82 Favored 'General case' 0 N--CA 1.444 -0.749 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 176.962 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.428 ' HB2' ' HA3' ' A' ' 36' ' ' GLY . 31.8 mt-10 -64.89 154.01 38.6 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.868 -175.166 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.69 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . . . -76.71 22.29 0.18 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.848 0.356 . . . . 0.0 111.815 -173.878 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.416 ' H ' ' C ' ' A' ' 33' ' ' GLU . 4.9 p-10 179.69 -2.09 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.766 -177.095 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.428 ' HA3' ' HB2' ' A' ' 33' ' ' GLU . . . -80.69 -3.68 90.28 Favored Glycine 0 C--N 1.331 0.265 0 C-N-CA 121.11 -0.567 . . . . 0.0 112.838 -175.84 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -171.3 -43.4 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.394 0.616 . . . . 0.0 109.439 178.32 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.686 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 11.2 t -127.44 160.38 31.62 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.33 -0.85 . . . . 0.0 108.815 177.682 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -74.59 4.96 5.3 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 113.247 0.832 . . . . 0.0 113.247 -173.566 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.637 HD21 ' O ' ' A' ' 10' ' ' CYS . 3.2 pp -131.33 153.76 49.27 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 120.737 -0.385 . . . . 0.0 111.093 -179.507 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.69 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 62.9 tt0 -90.49 134.34 34.43 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.848 178.947 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.455 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -146.33 151.13 37.01 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.091 0.472 . . . . 0.0 111.308 -178.76 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.584 ' O ' ' HB ' ' A' ' 54' ' ' ILE . 3.0 m-85 -107.27 100.93 10.35 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 172.68 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.56 ' HB ' ' CG ' ' A' ' 30' ' ' GLU . 39.3 t -95.69 132.01 40.96 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.998 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.388 -172.833 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.422 HD21 ' CD2' ' A' ' 61' ' ' LEU . 51.4 mt -93.02 117.07 29.66 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.2 0.524 . . . . 0.0 109.663 -179.944 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.652 ' HE1' ' HA ' ' A' ' 5' ' ' PRO . 14.0 t60 -102.41 108.14 19.37 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.486 -167.416 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.455 ' HG ' ' HA ' ' A' ' 26' ' ' VAL . 6.1 mp -98.35 169.98 9.18 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 173.131 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -78.78 0.7 25.87 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.007 0.432 . . . . 0.0 111.377 -171.767 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -131.38 -8.35 3.73 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.165 -177.793 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 12.6 ptp180 -171.44 166.59 6.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.792 0.329 . . . . 0.0 111.49 -169.672 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.9 m -138.6 124.23 19.66 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.776 178.371 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.651 HG21 HD21 ' A' ' 18' ' ' LEU . 4.5 mp -102.08 136.96 31.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 178.329 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 49.5 t -101.09 136.19 41.33 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.665 0.745 . . . . 0.0 111.072 -173.445 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.584 ' HB ' ' O ' ' A' ' 43' ' ' PHE . 1.2 mt -134.03 143.78 37.37 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.833 0 CA-C-N 114.938 -1.028 . . . . 0.0 111.346 -171.724 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.672 ' O ' ' HB2' ' A' ' 58' ' ' ASN . 26.6 t-80 -69.61 135.2 88.28 Favored Pre-proline 0 C--O 1.217 -0.617 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 173.573 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 82.4 Cg_exo -45.75 -46.35 15.38 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.172 1.915 . . . . 0.0 112.224 178.619 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -86.94 83.05 7.59 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 168.307 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.672 ' HB2' ' O ' ' A' ' 55' ' ' HIS . 6.7 t30 -132.36 133.58 23.88 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.225 179.351 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 58' ' ' ASN . 50.9 Cg_exo -55.2 -28.18 60.29 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 123.249 2.633 . . . . 0.0 113.05 -178.792 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.509 ' HB2' ' HA ' ' A' ' 17' ' ' PRO . 4.2 t -77.59 -33.9 53.71 Favored 'General case' 0 C--O 1.222 -0.384 0 C-N-CA 120.63 -0.428 . . . . 0.0 111.149 179.775 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.568 HD23 HG21 ' A' ' 54' ' ' ILE . 0.3 OUTLIER -77.21 -48.52 17.35 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.436 0.16 . . . . 0.0 111.285 -168.066 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.0 t -59.81 -50.04 75.34 Favored 'General case' 0 C--O 1.242 0.675 0 CA-C-O 121.318 0.58 . . . . 0.0 110.02 -179.254 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -61.19 -31.49 71.25 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.423 175.624 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.669 ' CZ3' ' HB3' ' A' ' 23' ' ' LEU . 7.3 t-105 -66.16 -36.38 82.95 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 120.871 -0.331 . . . . 0.0 110.565 -178.119 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.805 ' HE2' ' HB2' ' A' ' 81' ' ' PHE . 2.7 m-85 -58.47 -39.44 79.98 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.694 175.745 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.505 ' O ' ' HB3' ' A' ' 69' ' ' GLU . 21.4 mm-40 -75.56 -39.26 58.46 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.251 0.548 . . . . 0.0 111.231 177.27 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.42 ' HB2' ' HE3' ' A' ' 64' ' ' TRP . 10.0 m170 -68.28 -41.6 80.77 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.232 -179.609 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.503 ' HB2' HD21 ' A' ' 72' ' ' LEU . 13.5 pt20 -68.63 -25.02 64.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.962 0.411 . . . . 0.0 110.163 179.027 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.505 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 21.7 tp10 -59.16 -32.65 70.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.595 175.039 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.6 ptp180 -113.54 19.76 16.58 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.675 -177.849 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.547 ' HE3' ' OD1' ' A' ' 20' ' ' ASP . 42.9 mttm -141.61 -169.35 2.87 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 119.515 -0.278 . . . . 0.0 110.429 177.959 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.605 HD11 ' CH2' ' A' ' 64' ' ' TRP . 0.0 OUTLIER 16.16 60.81 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.246 0 N-CA-C 114.991 1.478 . . . . 0.0 114.991 -173.483 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 8.4 t-160 70.09 -13.58 0.42 Allowed 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 170.615 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 69.85 33.8 71.04 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 121.216 -0.516 . . . . 0.0 112.305 -178.109 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.9 p -109.81 122.26 47.1 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.784 0.326 . . . . 0.0 111.49 -177.351 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 45.2 mt -140.65 155.23 69.59 Favored Pre-proline 0 N--CA 1.441 -0.912 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 -178.7 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_exo -46.12 143.26 7.66 Favored 'Trans proline' 0 C--N 1.327 -0.575 0 C-N-CA 123.664 2.909 . . . . 0.0 113.29 170.115 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -83.18 89.84 7.01 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.99 0.424 . . . . 0.0 110.346 176.11 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.1 pp -142.84 29.27 1.53 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.509 -178.629 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 50.1 70.56 0.49 Allowed 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 122.653 1.215 . . . . 0.0 110.26 -179.808 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.805 ' HB2' ' HE2' ' A' ' 65' ' ' PHE . 5.2 p90 -85.85 13.59 7.16 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 114.176 -1.375 . . . . 0.0 111.75 -171.425 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.453 ' HA2' ' HG2' ' A' ' 85' ' ' ARG . . . -79.37 -5.7 89.12 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.927 -0.654 . . . . 0.0 111.512 174.732 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.457 ' HG3' ' HG ' ' A' ' 84' ' ' LEU . 26.0 ptt? -73.96 -7.97 54.38 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -179.041 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.457 ' HG ' ' HG3' ' A' ' 83' ' ' MET . 54.1 mt -123.36 24.0 8.84 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.916 0.388 . . . . 0.0 111.318 -176.468 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.49 ' HD2' ' OE2' ' A' ' 66' ' ' GLU . 11.8 mmt180 -86.31 73.75 10.12 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.879 0.371 . . . . 0.0 110.771 -178.335 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 34.5 ttmt 68.5 18.24 8.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.363 -179.125 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -73.27 -9.35 58.62 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.521 0.677 . . . . 0.0 109.407 168.943 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.924 0 N-CA-C 110.379 -1.088 . . . . 0.0 110.379 176.016 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 37.7 t80 . . . . . 0 N--CA 1.479 1.021 0 CA-C-O 121.2 0.524 . . . . 0.0 110.521 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 9.3 tt -80.32 114.47 19.25 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 173.805 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.568 ' HB2' ' HB2' ' A' ' 51' ' ' SER . 3.9 mm? -65.74 114.44 16.13 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 116.539 -0.301 . . . . 0.0 110.314 176.531 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.781 ' HB2' ' HB ' ' A' ' 7' ' ' THR . 27.8 Cg_exo -62.2 143.63 94.58 Favored 'Trans proline' 0 N--CA 1.463 -0.284 0 C-N-CA 122.766 2.311 . . . . 0.0 111.5 179.517 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 4' ' ' PRO . 52.6 Cg_exo -55.19 115.11 2.21 Favored 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 123.137 2.558 . . . . 0.0 112.81 -176.781 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.7 m 67.87 19.75 9.44 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.912 179.743 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.781 ' HB ' ' HB2' ' A' ' 4' ' ' PRO . 5.6 m -126.32 40.26 3.77 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 122.106 0.955 . . . . 0.0 108.833 177.193 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.441 ' HA ' HD12 ' A' ' 3' ' ' LEU . . . -82.85 92.91 7.37 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 114.851 -1.068 . . . . 0.0 111.074 -176.034 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 80.5 m -116.56 82.03 1.72 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.351 173.695 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 62.0 m -65.17 120.17 12.21 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.625 -0.716 . . . . 0.0 112.602 -176.61 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.2 p -108.35 6.6 26.57 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.922 168.117 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.8 152.95 40.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.041 -0.981 . . . . 0.0 110.288 -179.501 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 60.3 mt -132.45 132.85 43.16 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 179.779 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -63.48 -40.8 98.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.383 -174.158 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 11.1 mmm180 70.95 -53.16 0.68 Allowed 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.594 0.758 . . . . 0.0 112.438 178.754 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -62.23 139.04 96.22 Favored Pre-proline 0 C--N 1.327 -0.38 0 O-C-N 123.216 0.322 . . . . 0.0 111.391 -178.76 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -61.31 126.58 19.67 Favored 'Trans proline' 0 C--O 1.237 0.435 0 C-N-CA 122.98 2.453 . . . . 0.0 112.012 177.27 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.632 HD12 HD12 ' A' ' 45' ' ' LEU . 62.0 mt -73.82 153.02 40.11 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.818 -179.736 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.622 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 17.9 m -82.06 140.47 33.86 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.834 -179.691 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.558 ' HA ' HD12 ' A' ' 23' ' ' LEU . 9.0 t0 -63.71 -29.07 70.34 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.597 -177.545 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.595 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 65.2 mttm -61.09 -45.43 94.76 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.238 179.707 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.622 ' HG ' ' O ' ' A' ' 19' ' ' SER . 4.6 pp -73.84 -25.17 59.94 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.175 177.144 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.558 HD12 ' HA ' ' A' ' 20' ' ' ASP . 67.7 mt -61.0 -36.6 79.9 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.511 179.667 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.733 ' HB3' ' HD3' ' A' ' 71' ' ' LYS . 12.6 ptm180 -65.03 -4.56 4.82 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-O 121.293 0.568 . . . . 0.0 111.459 177.705 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.525 ' HD3' ' HA ' ' A' ' 22' ' ' LEU . 51.0 mtpt -108.69 1.22 21.03 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.527 -176.645 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.583 HG22 ' HG ' ' A' ' 47' ' ' LEU . 52.6 t -79.57 143.84 11.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 174.514 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.552 HD11 ' HD2' ' A' ' 46' ' ' HIS . 5.0 pt -104.47 -37.63 4.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 C-N-CA 120.155 -0.618 . . . . 0.0 111.694 -178.588 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -154.88 157.84 38.43 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-O 120.691 0.282 . . . . 0.0 111.027 178.837 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.495 HG13 HD23 ' A' ' 45' ' ' LEU . 20.5 t -100.7 126.59 54.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 174.55 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.471 ' HG3' ' HB ' ' A' ' 44' ' ' VAL . 15.1 pt-20 -117.5 126.09 52.0 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.604 0.716 . . . . 0.0 111.263 -176.524 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 41.5 tp -90.05 117.65 29.0 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.848 179.404 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.448 ' HB3' ' HB3' ' A' ' 42' ' ' ALA . 50.7 tt0 -78.64 107.27 11.2 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 173.229 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -64.66 148.48 50.89 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.95 179.264 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.715 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . . . -80.72 25.21 0.44 Allowed 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -170.921 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 31.5 t70 178.32 -37.84 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.737 -0.211 . . . . 0.0 110.756 -175.508 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -48.98 -43.87 31.68 Favored Glycine 0 C--N 1.336 0.539 0 O-C-N 123.832 0.708 . . . . 0.0 113.558 -176.901 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -108.42 -63.11 1.37 Allowed 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 175.543 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 66.3 m -135.65 146.53 47.92 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.42 -0.809 . . . . 0.0 108.972 171.608 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.404 ' HA ' ' O ' ' A' ' 34' ' ' ALA . 1.9 p-80 -72.72 82.73 1.15 Allowed 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -173.876 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.2 tt -172.79 123.77 0.44 Allowed 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 174.19 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.715 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 24.6 tt0 -86.16 116.76 24.56 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.906 0.384 . . . . 0.0 110.663 -177.813 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.55 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -137.91 155.32 49.04 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.032 -178.097 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.632 ' HB3' ' HG ' ' A' ' 61' ' ' LEU . 0.5 OUTLIER -116.26 107.42 14.83 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 176.003 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.471 ' HB ' ' HG3' ' A' ' 30' ' ' GLU . 60.6 t -110.23 139.0 35.54 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.142 -170.523 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.632 HD12 HD12 ' A' ' 18' ' ' LEU . 75.3 mt -99.79 114.75 28.11 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.966 179.325 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.552 ' HD2' HD11 ' A' ' 27' ' ' ILE . 5.9 t60 -88.41 102.62 15.06 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.146 -176.168 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.583 ' HG ' HG22 ' A' ' 26' ' ' VAL . 6.1 mp -89.83 164.09 14.77 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 172.61 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.37 -13.55 61.5 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.232 0.539 . . . . 0.0 110.858 -175.042 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.6 mp0 -101.48 -36.18 8.91 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.081 -177.941 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.561 ' O ' ' HB2' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -174.9 161.96 3.09 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.58 179.072 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.568 ' HB2' ' HB2' ' A' ' 3' ' ' LEU . 50.0 m -99.75 140.47 33.9 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 120.967 0.413 . . . . 0.0 110.767 177.361 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.475 HG21 HD21 ' A' ' 18' ' ' LEU . 61.5 mt -105.97 135.57 43.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 176.457 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 47.5 t -101.12 124.91 47.57 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.366 0.603 . . . . 0.0 111.03 -172.059 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.404 ' HB ' HD23 ' A' ' 61' ' ' LEU . 31.2 mt -125.88 145.84 32.65 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.574 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.789 -176.346 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 45.3 t-80 -68.46 131.12 91.77 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.085 174.613 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.55 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 77.6 Cg_exo -52.12 140.49 50.48 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.907 2.405 . . . . 0.0 112.017 177.103 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 69.5 45.65 0.8 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.61 0.719 . . . . 0.0 110.575 -178.286 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -107.88 140.09 21.28 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 114.948 -1.024 . . . . 0.0 109.039 173.474 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -42.87 -47.36 8.2 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 123.453 2.769 . . . . 0.0 113.566 179.847 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 49.2 m -70.4 -34.82 73.0 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 111.804 0.298 . . . . 0.0 111.804 -176.208 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.632 ' HG ' ' HB3' ' A' ' 43' ' ' PHE . 0.2 OUTLIER -70.84 -47.68 58.03 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 -178.377 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 39.8 t -65.9 -47.24 75.44 Favored 'General case' 0 C--O 1.241 0.651 0 CA-C-O 121.004 0.43 . . . . 0.0 110.72 179.785 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -60.62 -28.97 68.94 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.771 -179.288 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.536 ' CZ3' ' HB3' ' A' ' 23' ' ' LEU . 27.6 t-105 -68.33 -38.41 81.49 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.138 179.932 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.699 ' CD1' ' HG ' ' A' ' 84' ' ' LEU . 52.0 m-85 -53.2 -40.23 64.3 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.425 -0.51 . . . . 0.0 110.038 175.634 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -79.43 -41.92 26.55 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.043 -179.337 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 23.7 m170 -65.68 -39.76 91.62 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.821 179.72 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.497 ' HB2' ' CE2' ' A' ' 64' ' ' TRP . 17.0 tt0 -62.86 -34.52 77.54 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.524 177.698 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.923 ' HA ' ' HG ' ' A' ' 76' ' ' LEU . 42.1 tt0 -61.45 -28.08 69.02 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.67 178.194 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 14.4 ptt180 -113.99 24.35 12.12 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.726 179.063 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.733 ' HD3' ' HB3' ' A' ' 24' ' ' ARG . 24.6 ttmt -144.17 -150.1 0.3 Allowed 'General case' 0 C--O 1.236 0.371 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.362 -177.987 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.504 HD21 ' CZ2' ' A' ' 64' ' ' TRP . 8.5 mt 54.21 -118.55 1.33 Allowed 'General case' 0 C--N 1.345 0.383 0 C-N-CA 123.278 0.631 . . . . 0.0 111.744 -178.103 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -135.78 25.52 3.36 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 -178.408 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 78.05 8.37 87.4 Favored Glycine 0 N--CA 1.449 -0.47 0 N-CA-C 111.041 -0.823 . . . . 0.0 111.041 -173.801 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.2 p -94.22 87.04 5.11 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-O 121.475 0.655 . . . . 0.0 111.497 -178.697 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.923 ' HG ' ' HA ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -156.47 144.27 14.11 Favored Pre-proline 0 C--N 1.319 -0.752 0 CA-C-N 115.338 -0.847 . . . . 0.0 109.506 179.225 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.799 ' HB2' ' HG ' ' A' ' 79' ' ' LEU . 80.0 Cg_endo -77.88 123.96 6.56 Favored 'Trans proline' 0 N--CA 1.46 -0.457 0 C-N-CA 122.614 2.209 . . . . 0.0 112.007 177.429 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -87.62 46.13 1.35 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.819 0.819 . . . . 0.0 110.241 -177.775 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.799 ' HG ' ' HB2' ' A' ' 77' ' ' PRO . 0.4 OUTLIER -108.77 -169.16 1.44 Allowed 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.697 -1.138 . . . . 0.0 111.137 -175.873 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 47.4 m-80 -120.35 104.6 10.16 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.971 174.426 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.685 ' HD2' ' HE2' ' A' ' 65' ' ' PHE . 5.5 m-85 -81.21 12.83 3.19 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.299 0.571 . . . . 0.0 110.191 173.851 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 107.15 -95.38 0.99 Allowed Glycine 0 N--CA 1.441 -1.031 0 CA-C-N 115.536 -0.756 . . . . 0.0 113.805 168.356 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.441 ' HG2' HD13 ' A' ' 84' ' ' LEU . 0.0 OUTLIER -81.56 11.85 4.29 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 -162.933 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.827 HD23 ' HG2' ' A' ' 85' ' ' ARG . 0.0 OUTLIER -136.13 -16.13 1.68 Allowed 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 113.458 0.91 . . . . 0.0 113.458 -175.574 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.827 ' HG2' HD23 ' A' ' 84' ' ' LEU . 25.8 mmm180 -105.78 99.14 8.75 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 121.831 -0.543 . . . . 0.0 110.995 -175.636 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 23.0 tptm 70.67 -32.91 0.25 Allowed 'General case' 0 N--CA 1.47 0.573 0 O-C-N 123.893 0.745 . . . . 0.0 112.038 176.375 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.459 ' H ' ' C ' ' A' ' 85' ' ' ARG . 41.4 mtm -90.6 5.78 46.51 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.403 0.62 . . . . 0.0 110.524 178.636 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.128 0 CA-C-O 118.435 -1.203 . . . . 0.0 110.936 176.844 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.646 ' HD1' HD22 ' A' ' 3' ' ' LEU . 22.4 t80 . . . . . 0 N--CA 1.481 1.091 0 CA-C-O 120.82 0.343 . . . . 0.0 110.276 . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.575 HD13 ' HA ' ' A' ' 50' ' ' ARG . 13.3 tp -76.77 109.8 10.85 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.613 172.706 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.646 HD22 ' HD1' ' A' ' 1' ' ' PHE . 4.4 mm? -66.87 112.43 9.66 Favored Pre-proline 0 C--N 1.325 -0.472 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 173.831 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.661 ' HB2' ' HB ' ' A' ' 7' ' ' THR . 45.9 Cg_exo -56.52 130.02 37.82 Favored 'Trans proline' 0 C--O 1.235 0.346 0 C-N-CA 123.058 2.505 . . . . 0.0 112.615 -178.51 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 4' ' ' PRO . 33.0 Cg_exo -60.08 130.3 33.87 Favored 'Trans proline' 0 C--O 1.234 0.292 0 C-N-CA 122.978 2.452 . . . . 0.0 112.245 -178.7 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.1 t 70.6 11.53 7.28 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.079 179.778 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.661 ' HB ' ' HB2' ' A' ' 4' ' ' PRO . 45.1 m -125.25 81.03 1.93 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.367 0.603 . . . . 0.0 109.404 174.891 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -119.67 87.83 2.82 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-O 121.467 0.651 . . . . 0.0 112.029 -174.35 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.3 t -131.7 49.8 2.29 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 106.706 -1.59 . . . . 0.0 106.706 166.87 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 43.5 t -53.77 137.1 38.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 113.336 -1.756 . . . . 0.0 112.495 -172.647 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.8 t -130.87 15.64 5.26 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.808 178.113 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.61 95.21 2.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.729 0.776 . . . . 0.0 111.005 176.753 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.555 HD23 ' SG ' ' A' ' 53' ' ' CYS . 50.6 mt -83.05 135.51 34.82 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.373 -0.83 . . . . 0.0 111.019 -176.448 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -62.8 -46.7 86.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.972 -176.512 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 75.08 -44.28 0.53 Allowed 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.667 0.787 . . . . 0.0 112.485 177.763 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -63.65 129.92 94.04 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 120.591 0.234 . . . . 0.0 111.142 -178.527 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -59.89 116.98 3.68 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.95 2.434 . . . . 0.0 111.958 177.23 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.808 ' HB3' HD11 ' A' ' 22' ' ' LEU . 82.0 mt -71.13 138.53 49.74 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.074 -177.101 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.618 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 5.1 m -74.08 140.62 45.44 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.857 -178.374 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.489 ' HA ' HD12 ' A' ' 23' ' ' LEU . 9.9 t70 -55.53 -34.58 64.8 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 121.057 0.456 . . . . 0.0 111.131 -178.643 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.438 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 66.5 mttm -56.91 -46.68 81.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.337 179.281 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.808 HD11 ' HB3' ' A' ' 18' ' ' LEU . 4.3 pp -76.37 -26.85 56.08 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.794 176.605 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.519 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 76.6 mt -65.2 -36.75 85.17 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.725 -178.045 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.441 ' HB3' ' HD3' ' A' ' 71' ' ' LYS . 15.2 ptm180 -67.54 4.79 0.94 Allowed 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 121.217 0.532 . . . . 0.0 111.366 178.298 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.602 ' HD3' ' HA ' ' A' ' 22' ' ' LEU . 24.1 mtpp -109.01 0.18 19.85 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.057 178.91 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.884 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 25.1 t -84.74 150.55 3.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 177.625 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 18.0 pt -124.49 -24.1 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -178.54 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 22.7 mm-40 -152.34 154.09 34.95 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 120.753 0.311 . . . . 0.0 111.462 -177.935 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.486 HG13 HE22 ' A' ' 68' ' ' GLN . 13.7 m -98.68 126.07 51.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.298 0.57 . . . . 0.0 109.863 169.581 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.949 ' HB2' ' HB ' ' A' ' 44' ' ' VAL . 3.2 mm-40 -95.7 110.8 22.88 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 -179.811 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 32.1 tp -90.1 105.36 17.76 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 120.136 -0.626 . . . . 0.0 110.81 -179.823 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.435 ' HB3' ' HB3' ' A' ' 42' ' ' ALA . 46.5 tt0 -82.14 104.27 12.36 Favored 'General case' 0 N--CA 1.442 -0.859 0 CA-C-N 115.232 -0.894 . . . . 0.0 108.634 172.522 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -73.52 154.78 39.73 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.175 -176.757 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.655 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . . . -83.1 1.98 37.57 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.978 -179.294 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -156.29 -28.11 0.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.589 179.728 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -63.81 -13.57 52.37 Favored Glycine 0 CA--C 1.524 0.602 0 CA-C-N 116.255 -0.43 . . . . 0.0 114.006 -176.749 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -159.33 -62.33 0.07 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.366 0.603 . . . . 0.0 109.6 177.137 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 52.7 t -99.44 167.26 10.73 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.378 -0.828 . . . . 0.0 108.789 176.449 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.2 p-80 -96.19 8.94 42.54 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.152 0.501 . . . . 0.0 111.103 178.543 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.3 tt -125.94 134.7 51.45 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 178.474 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.655 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 29.8 tt0 -90.09 135.01 33.92 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 110.264 -0.273 . . . . 0.0 110.264 -177.243 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.549 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -150.65 157.64 43.22 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.953 0.406 . . . . 0.0 111.135 179.202 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.624 ' HB3' ' HG ' ' A' ' 61' ' ' LEU . 7.0 m-85 -118.34 102.44 8.95 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.372 0.606 . . . . 0.0 109.602 175.42 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.949 ' HB ' ' HB2' ' A' ' 30' ' ' GLU . 68.7 t -94.91 140.63 16.41 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.99 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.983 -176.316 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.623 HD12 HD12 ' A' ' 18' ' ' LEU . 23.0 mt -103.1 117.38 34.42 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.138 0.494 . . . . 0.0 110.78 178.603 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.439 ' HB2' ' CD ' ' A' ' 30' ' ' GLU . 3.4 t-160 -93.48 95.56 9.34 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.068 -176.871 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.884 ' HA ' ' HA ' ' A' ' 26' ' ' VAL . 6.0 mp -80.64 157.83 25.85 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 174.042 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.54 17.33 0.11 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.965 0.412 . . . . 0.0 111.47 -178.234 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.464 ' H ' ' C ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -138.54 -39.4 0.52 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.945 -176.872 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.575 ' HA ' HD13 ' A' ' 2' ' ' LEU . 0.0 OUTLIER -164.31 160.95 21.52 Favored 'General case' 0 C--O 1.225 -0.205 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.382 178.727 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.469 ' H ' HD12 ' A' ' 2' ' ' LEU . 19.7 m -112.61 135.76 52.97 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.784 0.326 . . . . 0.0 111.048 -177.382 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 48.4 mt -110.36 146.38 15.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.037 -178.958 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.555 ' SG ' HD23 ' A' ' 13' ' ' LEU . 45.6 t -102.22 124.75 48.36 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.94 0.4 . . . . 0.0 110.758 -176.687 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.502 HG21 HD23 ' A' ' 61' ' ' LEU . 0.3 OUTLIER -125.1 147.22 29.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.123 0.487 . . . . 0.0 111.181 -177.08 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.402 ' HB2' HD13 ' A' ' 13' ' ' LEU . 67.2 t60 -68.26 133.0 91.46 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.642 176.004 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.549 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 86.3 Cg_exo -48.99 -46.76 23.99 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.651 2.234 . . . . 0.0 112.661 179.786 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 23.6 mp0 -83.32 78.32 9.65 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 174.118 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -143.32 132.8 11.73 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.108 179.242 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -59.97 -36.75 88.9 Favored 'Trans proline' 0 CA--C 1.528 0.196 0 C-N-CA 123.035 2.49 . . . . 0.0 112.911 -177.098 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 26.3 m -68.33 -34.13 75.55 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 111.751 0.278 . . . . 0.0 111.751 -175.245 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.624 ' HG ' ' HB3' ' A' ' 43' ' ' PHE . 0.2 OUTLIER -74.51 -37.42 63.11 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 177.768 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.491 ' O ' ' HB2' ' A' ' 65' ' ' PHE . 34.8 t -68.67 -48.3 64.3 Favored 'General case' 0 C--O 1.248 0.976 0 CA-C-O 121.035 0.445 . . . . 0.0 111.116 -178.376 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -60.23 -29.05 68.5 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 175.189 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.519 ' CZ3' ' HB3' ' A' ' 23' ' ' LEU . 23.3 t-105 -66.99 -32.26 73.38 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.905 179.452 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.491 ' HB2' ' O ' ' A' ' 62' ' ' SER . 8.4 m-85 -52.2 -55.69 19.5 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 175.543 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -75.92 -34.8 59.92 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.837 -176.789 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.529 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 64.7 m170 -76.16 -33.0 59.36 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.613 -176.358 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.512 ' HB2' ' CE2' ' A' ' 64' ' ' TRP . 10.2 tt0 -69.02 -31.9 71.04 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.701 0.286 . . . . 0.0 110.537 176.836 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -59.63 -32.69 70.66 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.054 0.454 . . . . 0.0 110.291 173.655 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -110.93 16.12 21.41 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 116.05 -0.523 . . . . 0.0 112.072 -177.067 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.529 ' HB2' ' O ' ' A' ' 67' ' ' HIS . 10.7 ttmm -131.39 -156.88 0.78 Allowed 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 -179.966 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' ' 26' ' ' VAL . 6.4 mp 62.52 -81.02 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.157 0.503 . . . . 0.0 110.959 -176.956 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.617 ' HB3' HG23 ' A' ' 75' ' ' THR . 12.1 t60 -160.61 12.4 0.11 Allowed 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 -177.708 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 63.09 57.74 14.49 Favored Glycine 0 C--N 1.333 0.392 0 N-CA-C 110.419 -1.072 . . . . 0.0 110.419 -170.626 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.617 HG23 ' HB3' ' A' ' 73' ' ' HIS . 23.0 p -98.88 -171.48 2.11 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 112.667 0.618 . . . . 0.0 112.667 -167.704 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 95.6 mt 78.17 142.88 0.09 OUTLIER Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 114.0 -1.455 . . . . 0.0 113.032 171.671 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -80.47 -154.63 0.05 OUTLIER 'Trans proline' 0 C--O 1.237 0.449 0 C-N-CA 124.153 3.235 . . . . 0.0 111.626 -178.807 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 32.8 mmtm -72.19 77.75 0.97 Allowed 'General case' 0 CA--C 1.518 -0.279 0 CA-C-O 121.018 0.437 . . . . 0.0 110.341 171.74 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.417 HD22 ' CE2' ' A' ' 81' ' ' PHE . 57.6 mt -96.36 139.79 31.97 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-O 121.263 0.554 . . . . 0.0 110.254 178.216 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.845 ' HA ' ' HA ' ' A' ' 85' ' ' ARG . 2.9 p30 -165.6 61.93 0.11 Allowed 'General case' 0 C--N 1.311 -1.086 0 CA-C-N 114.957 -1.019 . . . . 0.0 109.07 178.162 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.452 ' HB2' ' HB2' ' A' ' 84' ' ' LEU . 88.5 m-85 -72.1 31.77 0.06 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.155 176.513 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.528 ' H ' ' C ' ' A' ' 80' ' ' ASN . . . 70.53 -50.47 0.82 Allowed Glycine 0 C--N 1.338 0.664 0 N-CA-C 111.434 -0.666 . . . . 0.0 111.434 -171.309 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.654 ' HB2' HD22 ' A' ' 84' ' ' LEU . 34.2 mtm -86.71 -61.58 1.7 Allowed 'General case' 0 C--N 1.311 -1.103 0 CA-C-N 114.368 -0.916 . . . . 0.0 108.609 177.54 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.687 HD12 ' HA3' ' A' ' 88' ' ' GLY . 2.9 mm? -81.58 64.43 6.29 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 114.059 -1.428 . . . . 0.0 110.628 -177.394 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.845 ' HA ' ' HA ' ' A' ' 80' ' ' ASN . 23.5 mtp180 -75.43 72.86 2.47 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.815 173.037 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.403 ' HA ' ' HB2' ' A' ' 79' ' ' LEU . 24.3 mtpp 64.48 13.64 8.3 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 121.586 0.708 . . . . 0.0 109.682 -172.981 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.517 ' HG3' ' O ' ' A' ' 85' ' ' ARG . 65.2 mtt -99.1 -0.05 42.58 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 114.44 -1.255 . . . . 0.0 109.91 -174.85 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.687 ' HA3' HD12 ' A' ' 84' ' ' LEU . . . . . . . . 0 N--CA 1.437 -1.289 0 CA-C-O 117.85 -1.528 . . . . 0.0 110.901 179.472 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 77.9 t80 . . . . . 0 N--CA 1.478 0.972 0 CA-C-O 121.318 0.58 . . . . 0.0 110.616 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 59.2 tp -154.34 140.51 18.48 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.15 173.772 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.495 ' HG ' ' SG ' ' A' ' 53' ' ' CYS . 4.2 mm? -70.88 109.21 4.72 Favored Pre-proline 0 C--N 1.32 -0.698 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 170.723 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.877 ' HB2' ' HB ' ' A' ' 7' ' ' THR . 50.0 Cg_exo -52.31 127.88 25.49 Favored 'Trans proline' 0 N--CA 1.463 -0.306 0 C-N-CA 122.56 2.174 . . . . 0.0 112.507 -172.762 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.481 ' HD3' ' HA ' ' A' ' 4' ' ' PRO . 53.0 Cg_exo -57.64 122.09 11.15 Favored 'Trans proline' 0 C--O 1.236 0.418 0 C-N-CA 123.025 2.484 . . . . 0.0 112.352 -178.809 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.6 m 70.01 14.85 7.81 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 121.438 0.637 . . . . 0.0 110.96 179.419 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.877 ' HB ' ' HB2' ' A' ' 4' ' ' PRO . 14.9 m -115.23 86.6 2.49 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 173.297 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -84.71 93.11 8.36 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.23 -170.426 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.434 ' HA ' ' OE1' ' A' ' 32' ' ' GLN . 46.7 t -143.74 88.9 2.01 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.086 169.501 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 71.4 m -113.29 117.81 32.87 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.337 -177.564 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 21.2 p -94.94 -25.1 16.68 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.372 0.606 . . . . 0.0 109.942 175.117 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.49 159.05 15.78 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.119 172.839 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 91.1 mt -134.04 152.37 51.81 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.646 -0.252 . . . . 0.0 110.658 -177.652 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -69.53 -39.6 77.41 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 176.265 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.448 HH11 ' HD3' ' A' ' 15' ' ' ARG . 48.1 mtt180 73.32 -44.02 0.57 Allowed 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 115.118 -0.946 . . . . 0.0 112.674 173.277 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -85.97 159.45 54.39 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-O 120.638 0.256 . . . . 0.0 111.128 -177.461 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_exo -64.7 149.56 89.56 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 123.046 2.498 . . . . 0.0 113.204 179.455 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.762 ' HB3' HD11 ' A' ' 22' ' ' LEU . 81.8 mt -100.56 154.19 18.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.941 177.456 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.615 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 19.1 m -92.32 148.11 22.39 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.115 -178.926 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.508 ' HA ' HD12 ' A' ' 23' ' ' LEU . 5.5 m-20 -55.83 -30.16 60.97 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.858 179.771 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.639 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 7.9 mtpm? -60.98 -45.69 93.78 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.081 -179.242 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.762 HD11 ' HB3' ' A' ' 18' ' ' LEU . 4.3 pp -75.01 -29.79 60.95 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.238 176.357 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.573 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 82.7 mt -64.39 -26.83 68.63 Favored 'General case' 0 C--O 1.223 -0.291 0 CA-C-N 116.003 -0.544 . . . . 0.0 112.165 -176.129 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.639 ' HG2' ' O ' ' A' ' 21' ' ' LYS . 13.3 ptm180 -67.0 -6.78 18.31 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 121.119 0.485 . . . . 0.0 111.081 -179.153 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.445 ' NZ ' ' HA ' ' A' ' 22' ' ' LEU . 35.1 mtmm -108.47 -4.71 17.05 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.328 -179.108 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.91 HG22 ' HG ' ' A' ' 47' ' ' LEU . 21.4 t -80.52 90.02 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 179.953 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.56 HD13 ' HB2' ' A' ' 48' ' ' ALA . 23.9 pt -69.14 -30.98 48.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 115.164 -0.926 . . . . 0.0 112.687 -171.966 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -150.17 159.32 44.51 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.039 0.447 . . . . 0.0 111.052 -177.721 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 47.9 t -115.98 125.9 73.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.122 177.561 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.51 ' HG3' ' HB ' ' A' ' 44' ' ' VAL . 5.4 pt-20 -127.37 168.9 14.2 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 179.039 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -145.77 142.11 28.6 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.533 0.682 . . . . 0.0 112.117 -176.544 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.589 ' OE1' ' HB2' ' A' ' 38' ' ' CYS . 7.4 tt0 -85.38 116.71 23.87 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 114.754 -1.112 . . . . 0.0 108.831 171.828 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.428 ' C ' ' H ' ' A' ' 35' ' ' ASP . 40.8 mt-10 -74.52 152.85 39.31 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 178.56 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.45 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . . . -74.25 21.24 0.1 Allowed 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 -171.552 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.428 ' H ' ' C ' ' A' ' 33' ' ' GLU . 33.0 t70 174.96 -23.18 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 123.229 0.612 . . . . 0.0 109.402 -178.409 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -59.9 -23.79 59.55 Favored Glycine 0 C--N 1.331 0.303 0 CA-C-N 115.443 -0.799 . . . . 0.0 113.139 -179.085 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -137.03 -56.71 0.72 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.333 0.587 . . . . 0.0 109.495 177.743 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.589 ' HB2' ' OE1' ' A' ' 32' ' ' GLN . 84.5 m -131.72 -179.25 5.27 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.485 175.839 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -83.18 13.94 3.83 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 114.382 1.253 . . . . 0.0 114.382 -164.947 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -145.12 166.55 25.09 Favored 'General case' 0 C--N 1.321 -0.632 0 O-C-N 121.655 -0.653 . . . . 0.0 110.95 179.337 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.466 ' HA ' ' O ' ' A' ' 32' ' ' GLN . 50.4 tt0 -105.6 131.01 53.52 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.509 -179.786 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -153.56 132.33 12.34 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.292 178.516 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.456 ' CZ ' HD11 ' A' ' 84' ' ' LEU . 57.6 m-85 -84.75 125.78 32.85 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 175.54 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.51 ' HB ' ' HG3' ' A' ' 30' ' ' GLU . 24.7 t -106.69 114.18 45.17 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.917 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.652 -176.483 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.607 HD12 HD12 ' A' ' 18' ' ' LEU . 19.0 mt -84.67 119.81 25.67 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 -179.471 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -97.05 103.51 15.44 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.127 -169.297 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.91 ' HG ' HG22 ' A' ' 26' ' ' VAL . 5.7 mp -99.29 2.16 45.24 Favored 'General case' 0 C--O 1.213 -0.843 0 CA-C-O 121.053 0.454 . . . . 0.0 110.689 -178.468 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.56 ' HB2' HD13 ' A' ' 27' ' ' ILE . . . 78.72 -67.12 0.17 Allowed 'General case' 0 C--N 1.304 -1.408 0 CA-C-N 114.561 -1.2 . . . . 0.0 110.982 173.427 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.82 -16.14 60.13 Favored 'General case' 0 CA--C 1.516 -0.328 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 171.449 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.851 ' HB2' ' HB2' ' A' ' 47' ' ' LEU . 30.7 mtt180 -128.72 163.57 24.84 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 114.816 -1.083 . . . . 0.0 111.14 174.401 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 63.5 m -151.81 123.33 7.86 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 167.775 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 79.8 mt -118.67 137.32 53.02 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.222 -173.255 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.495 ' SG ' ' HG ' ' A' ' 3' ' ' LEU . 18.4 m -101.21 120.41 40.19 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 -177.758 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.443 HG22 ' O ' ' A' ' 43' ' ' PHE . 5.5 tt -115.72 147.43 19.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.492 -172.806 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 70.7 t60 -71.67 126.23 91.58 Favored Pre-proline 0 C--N 1.322 -0.619 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 176.068 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_exo -44.56 -47.43 11.26 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 123.239 2.626 . . . . 0.0 113.002 -177.876 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -84.12 71.14 10.6 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.103 177.625 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.407 ' ND2' ' HD2' ' A' ' 59' ' ' PRO . 2.3 t-20 -135.99 120.89 13.22 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 116.24 -0.436 . . . . 0.0 109.826 177.064 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.407 ' HD2' ' ND2' ' A' ' 58' ' ' ASN . 77.1 Cg_exo -51.05 -30.91 33.01 Favored 'Trans proline' 0 C--O 1.234 0.292 0 C-N-CA 123.495 2.797 . . . . 0.0 113.197 -178.567 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.5 m -62.18 -30.83 71.33 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.568 -177.619 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.538 HD13 HD21 ' A' ' 45' ' ' LEU . 37.8 tp -75.48 -38.82 59.31 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.836 -0.345 . . . . 0.0 110.169 -178.042 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.8 m -60.18 -45.85 91.73 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 121.479 0.657 . . . . 0.0 109.355 174.094 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -61.06 -39.76 91.1 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.523 175.929 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.688 ' CZ2' ' HB ' ' A' ' 26' ' ' VAL . 7.6 t-105 -62.11 -37.3 84.58 Favored 'General case' 0 C--O 1.22 -0.461 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.134 -178.857 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -61.48 -39.84 92.38 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.458 -0.497 . . . . 0.0 110.368 177.265 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -66.32 -47.05 74.78 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 121.6 0.714 . . . . 0.0 110.122 175.115 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.572 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 23.0 m170 -72.44 -39.75 67.6 Favored 'General case' 0 C--O 1.22 -0.471 0 CA-C-N 115.133 -0.94 . . . . 0.0 111.8 -172.139 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -62.35 -33.78 75.38 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 178.029 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -61.9 -30.79 71.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.422 178.925 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -113.82 19.51 16.59 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.732 -178.968 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.572 ' HB2' ' O ' ' A' ' 67' ' ' HIS . 10.1 ttmm -131.17 -163.71 1.35 Allowed 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 -177.965 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.497 HD21 ' O ' ' A' ' 26' ' ' VAL . 9.9 mp 52.78 -101.06 0.1 Allowed 'General case' 0 C--O 1.232 0.167 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -176.793 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 8.2 t-160 -171.77 19.42 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.622 -175.857 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 79.24 2.75 87.86 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.664 -0.779 . . . . 0.0 111.696 -174.027 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -83.75 82.84 8.14 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-O 121.388 0.613 . . . . 0.0 111.331 -179.535 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 60.5 mt -144.61 153.32 54.75 Favored Pre-proline 0 C--N 1.32 -0.682 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.351 -178.773 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.463 ' HG2' HD23 ' A' ' 79' ' ' LEU . 41.5 Cg_endo -91.42 153.7 3.64 Favored 'Trans proline' 0 N--CA 1.452 -0.913 0 C-N-CA 123.455 2.77 . . . . 0.0 111.792 175.063 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -85.3 88.84 7.53 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 175.411 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.463 HD23 ' HG2' ' A' ' 77' ' ' PRO . 2.7 pp -99.56 11.9 37.92 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.25 -175.809 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 59.3 89.86 0.06 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 114.633 -1.167 . . . . 0.0 110.624 -178.079 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 14.7 p90 -121.23 12.11 10.95 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.004 0.431 . . . . 0.0 111.454 -177.055 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -75.74 -11.93 84.2 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.802 -178.026 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.494 ' O ' ' HB2' ' A' ' 87' ' ' MET . 0.0 OUTLIER -93.7 2.62 56.24 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.842 0.321 . . . . 0.0 111.434 -175.95 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.456 HD11 ' CZ ' ' A' ' 43' ' ' PHE . 30.3 mt -114.92 12.67 16.89 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -177.201 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 43.3 mtm-85 -84.76 78.3 9.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 122.23 -0.294 . . . . 0.0 110.3 177.365 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.457 ' HA ' ' HD3' ' A' ' 86' ' ' LYS . 69.9 mmtt 63.65 19.39 11.69 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 121.787 0.803 . . . . 0.0 110.508 -175.641 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.494 ' HB2' ' O ' ' A' ' 83' ' ' MET . 50.4 mtt -112.56 11.02 19.63 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 114.908 -1.042 . . . . 0.0 109.248 177.412 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.043 0 CA-C-O 118.752 -1.027 . . . . 0.0 111.014 -177.853 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 86.1 t80 . . . . . 0 N--CA 1.479 1.014 0 CA-C-O 120.971 0.415 . . . . 0.0 110.649 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.3 pp -102.56 145.09 30.13 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 175.455 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.426 HD13 ' HA ' ' A' ' 3' ' ' LEU . 4.4 mm? -65.45 112.71 9.14 Favored Pre-proline 0 C--N 1.325 -0.49 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 175.209 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.606 ' HB2' ' HB ' ' A' ' 7' ' ' THR . 23.4 Cg_exo -64.1 129.7 25.13 Favored 'Trans proline' 0 N--CA 1.463 -0.3 0 C-N-CA 122.69 2.26 . . . . 0.0 112.277 -177.855 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.403 ' C ' ' H ' ' A' ' 7' ' ' THR . 21.1 Cg_endo -60.46 138.41 80.33 Favored 'Trans proline' 0 C--O 1.236 0.419 0 C-N-CA 122.885 2.39 . . . . 0.0 112.017 179.174 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.1 t 71.15 -7.35 1.15 Allowed 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.911 -178.719 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.606 ' HB ' ' HB2' ' A' ' 4' ' ' PRO . 3.1 m -107.36 68.71 0.73 Allowed 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 178.519 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.578 ' HB1' ' HB2' ' A' ' 32' ' ' GLN . . . -79.89 98.45 7.12 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 115.142 -0.936 . . . . 0.0 112.063 -169.978 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.471 ' HA ' ' OE1' ' A' ' 32' ' ' GLN . 10.9 t -144.48 87.99 1.9 Allowed 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 169.422 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 23.5 t -126.0 126.93 45.11 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.28 -170.121 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 38.9 p -96.83 -44.79 6.91 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.712 -175.562 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.23 102.55 7.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.791 0.329 . . . . 0.0 110.454 -179.617 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 79.0 mt -95.33 133.29 39.41 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.541 -179.755 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.49 ' CE2' ' HB2' ' A' ' 16' ' ' LYS . 22.9 t80 -60.63 -46.8 88.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.335 -178.417 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 68.1 mtp180 69.82 2.16 3.73 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.852 173.772 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.49 ' HB2' ' CE2' ' A' ' 14' ' ' TYR . 14.3 mmmm -122.79 153.2 63.39 Favored Pre-proline 0 C--N 1.32 -0.706 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 179.441 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.811 ' HA ' ' HB2' ' A' ' 60' ' ' SER . 39.0 Cg_exo -61.56 136.73 64.84 Favored 'Trans proline' 0 C--O 1.234 0.301 0 C-N-CA 122.46 2.107 . . . . 0.0 111.977 176.075 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.537 ' HB3' HD11 ' A' ' 22' ' ' LEU . 76.8 mt -86.82 155.42 20.29 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.866 0.365 . . . . 0.0 110.691 -179.104 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.686 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 19.6 m -70.45 138.77 51.46 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.325 178.695 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.553 ' HA ' HD12 ' A' ' 23' ' ' LEU . 1.0 OUTLIER -65.94 -28.12 68.68 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.644 -0.253 . . . . 0.0 110.888 -176.069 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.69 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 27.6 mtpp -61.91 -44.33 97.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.013 179.361 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.686 ' HG ' ' O ' ' A' ' 19' ' ' SER . 4.3 pp -72.97 -26.6 61.42 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.198 178.165 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.553 HD12 ' HA ' ' A' ' 20' ' ' ASP . 75.5 mt -63.01 -31.77 72.99 Favored 'General case' 0 C--O 1.223 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.606 -178.959 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.69 ' HG2' ' O ' ' A' ' 21' ' ' LYS . 14.9 ptm180 -68.18 -1.1 5.43 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-O 121.218 0.533 . . . . 0.0 111.15 179.499 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 52.4 mtmt -118.59 4.27 11.69 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.821 -179.254 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.866 HG22 ' HG ' ' A' ' 47' ' ' LEU . 44.5 t -90.02 105.09 15.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 177.623 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.47 ' HA ' HD21 ' A' ' 72' ' ' LEU . 22.1 pt -89.09 -23.77 6.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 -170.233 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.477 ' HA ' ' OE1' ' A' ' 28' ' ' GLN . 15.8 mm-40 -142.03 155.6 45.41 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.023 0.439 . . . . 0.0 111.917 -176.353 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 35.7 t -116.91 125.2 73.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.162 176.632 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -112.22 122.34 47.47 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.973 0.416 . . . . 0.0 110.333 -173.505 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 15.1 tp -101.14 114.47 28.45 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.56 0.695 . . . . 0.0 111.412 -175.885 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.578 ' HB2' ' HB1' ' A' ' 8' ' ' ALA . 7.0 tt0 -90.74 120.55 31.88 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 114.918 -1.037 . . . . 0.0 108.826 173.904 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -96.71 155.46 16.76 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 -179.219 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.07 -13.97 8.44 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 -171.762 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -149.46 11.74 0.79 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.602 0.715 . . . . 0.0 109.49 176.986 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.458 ' O ' ' HB2' ' A' ' 37' ' ' ASP . . . -98.77 97.27 1.84 Allowed Glycine 0 N--CA 1.444 -0.772 0 CA-C-N 115.094 -0.957 . . . . 0.0 111.202 178.837 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.458 ' HB2' ' O ' ' A' ' 36' ' ' GLY . 1.5 m-20 74.71 -10.14 1.23 Allowed 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 123.388 0.675 . . . . 0.0 111.923 -178.232 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.0 t -153.95 -166.76 2.46 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.511 0.196 . . . . 0.0 110.552 -179.971 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 31.1 p-80 -121.91 20.06 10.86 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -175.233 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -155.6 161.89 40.74 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 176.421 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.524 ' HA ' ' O ' ' A' ' 32' ' ' GLN . 56.9 tt0 -101.36 138.29 38.57 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.757 0.313 . . . . 0.0 110.628 178.762 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.548 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -161.51 145.98 13.17 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.622 174.745 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.627 ' CB ' ' HG ' ' A' ' 61' ' ' LEU . 38.8 m-85 -98.05 102.65 14.45 Favored 'General case' 0 C--N 1.314 -0.953 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 173.155 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 58.4 t -96.4 136.69 26.44 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.004 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.716 -175.229 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.518 HD12 HD12 ' A' ' 18' ' ' LEU . 52.5 mt -102.3 123.85 46.84 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 121.242 0.544 . . . . 0.0 111.253 -176.099 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.428 ' HB3' ' HB2' ' A' ' 28' ' ' GLN . 83.3 t60 -98.77 104.5 16.54 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.477 -175.457 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.866 ' HG ' HG22 ' A' ' 26' ' ' VAL . 5.7 mp -81.89 171.6 14.28 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.092 176.154 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.36 -16.15 59.57 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 112.481 0.549 . . . . 0.0 112.481 -174.81 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.1 mp0 -136.67 5.99 2.93 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.64 -0.424 . . . . 0.0 112.045 -176.502 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -171.0 177.98 3.54 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 120.686 -0.406 . . . . 0.0 111.515 -172.896 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 62.3 m -140.35 136.44 33.18 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.811 0.338 . . . . 0.0 110.762 177.439 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 64.2 mt -117.38 138.2 48.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 178.395 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 48.5 m -101.76 121.59 42.36 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.358 0.599 . . . . 0.0 111.314 -170.935 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.548 ' HB ' ' O ' ' A' ' 43' ' ' PHE . 16.3 mt -115.92 135.42 56.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.698 -175.387 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 50.6 t-80 -60.15 130.43 89.22 Favored Pre-proline 0 C--O 1.225 -0.233 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 173.157 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.548 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 78.1 Cg_exo -49.59 -48.16 20.11 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.931 2.421 . . . . 0.0 112.683 -174.41 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 24.7 mm-40 -79.41 80.61 5.77 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 174.132 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 48.1 t-20 -146.25 126.04 6.83 Favored Pre-proline 0 N--CA 1.451 -0.381 0 CA-C-N 115.483 -0.781 . . . . 0.0 109.525 178.436 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -51.72 -36.99 63.89 Favored 'Trans proline' 0 N--CA 1.465 -0.186 0 C-N-CA 123.363 2.708 . . . . 0.0 112.931 177.44 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.811 ' HB2' ' HA ' ' A' ' 17' ' ' PRO . 35.3 t -62.37 -33.05 73.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.457 -175.768 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.627 ' HG ' ' CB ' ' A' ' 43' ' ' PHE . 0.8 OUTLIER -80.14 -48.5 13.09 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 -177.686 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 18.1 t -59.7 -49.86 76.09 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-O 121.327 0.584 . . . . 0.0 110.216 179.514 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -64.36 -28.66 69.85 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.476 178.205 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.493 ' CZ3' ' HB3' ' A' ' 23' ' ' LEU . 16.3 t-105 -63.58 -42.45 98.28 Favored 'General case' 0 C--O 1.218 -0.6 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.381 177.661 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.487 ' HB3' ' HD3' ' A' ' 85' ' ' ARG . 12.2 m-85 -54.71 -40.25 69.01 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.771 -0.371 . . . . 0.0 110.677 176.123 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.565 ' OE2' ' HD2' ' A' ' 85' ' ' ARG . 41.8 mm-40 -66.44 -50.73 62.39 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 121.528 0.68 . . . . 0.0 111.196 174.701 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.513 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 65.0 m80 -74.15 -30.17 62.14 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.906 -0.588 . . . . 0.0 112.34 -172.068 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.467 ' HG2' ' O ' ' A' ' 64' ' ' TRP . 12.9 pt20 -69.44 -29.72 67.49 Favored 'General case' 0 CA--C 1.518 -0.281 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 176.093 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.494 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 18.7 tp10 -59.24 -35.52 73.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.263 175.398 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 8.1 ptt180 -113.46 28.37 8.83 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.048 -0.523 . . . . 0.0 112.209 178.071 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.513 ' HB2' ' O ' ' A' ' 67' ' ' HIS . 21.5 ttmt -138.04 -168.34 2.34 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 175.511 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.509 HD21 ' O ' ' A' ' 26' ' ' VAL . 8.9 mp 52.13 -95.45 0.04 OUTLIER 'General case' 0 C--N 1.343 0.285 0 CA-C-O 121.221 0.534 . . . . 0.0 111.218 -172.062 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 18.5 t-160 -164.22 12.13 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.329 -0.85 . . . . 0.0 109.077 -179.326 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 77.03 7.72 86.73 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.043 -174.792 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 40.5 p -87.33 105.33 17.17 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.793 0.33 . . . . 0.0 110.781 -179.02 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 47.3 mt -154.59 154.7 29.72 Favored Pre-proline 0 C--N 1.327 -0.394 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 -174.452 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -86.58 170.85 7.57 Favored 'Trans proline' 0 N--CA 1.456 -0.723 0 C-N-CA 122.587 2.191 . . . . 0.0 112.065 176.842 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 16.8 pttp -81.48 87.99 6.18 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.565 0.697 . . . . 0.0 110.425 176.237 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.3 pp -111.63 34.91 3.88 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.555 -179.384 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.572 ' O ' ' HG2' ' A' ' 83' ' ' MET . 5.9 p30 41.43 47.44 3.15 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.987 0.915 . . . . 0.0 113.259 175.338 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.595 ' O ' ' HG3' ' A' ' 85' ' ' ARG . 27.4 p90 -68.74 -12.61 61.65 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.24 179.941 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -80.38 -6.0 89.49 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.946 179.624 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.572 ' HG2' ' O ' ' A' ' 80' ' ' ASN . 17.4 ptt? -74.21 -21.14 59.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.817 0.308 . . . . 0.0 111.822 -177.703 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.423 HD12 ' CG ' ' A' ' 83' ' ' MET . 0.0 OUTLIER -139.49 0.06 1.82 Allowed 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 -170.468 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.595 ' HG3' ' O ' ' A' ' 81' ' ' PHE . 46.0 mtm180 -70.12 134.85 48.59 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.111 175.371 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 24.4 mmtp 69.18 4.42 4.57 Favored 'General case' 0 N--CA 1.466 0.341 0 O-C-N 123.765 0.666 . . . . 0.0 110.927 179.13 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 25.5 mmt -95.7 -29.68 14.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.857 178.546 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.157 -1.357 . . . . 0.0 111.021 178.039 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 38.2 p90 . . . . . 0 N--CA 1.477 0.891 0 CA-C-O 121.608 0.718 . . . . 0.0 110.54 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.634 ' O ' ' HD3' ' A' ' 4' ' ' PRO . 19.6 tp -133.7 141.65 47.65 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.096 -0.956 . . . . 0.0 108.575 175.665 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.425 HD13 ' HA ' ' A' ' 3' ' ' LEU . 4.4 mm? -97.44 102.5 12.91 Favored Pre-proline 0 C--N 1.321 -0.636 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 172.035 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.634 ' HD3' ' O ' ' A' ' 2' ' ' LEU . 21.0 Cg_exo -70.86 147.74 56.46 Favored 'Trans proline' 0 N--CA 1.464 -0.264 0 C-N-CA 123.325 2.683 . . . . 0.0 112.42 179.608 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.473 ' HD3' ' HA ' ' A' ' 4' ' ' PRO . 44.1 Cg_exo -57.43 127.15 24.34 Favored 'Trans proline' 0 C--O 1.235 0.361 0 C-N-CA 122.657 2.238 . . . . 0.0 111.421 176.995 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.5 m 72.5 11.56 5.64 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.935 -179.092 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.407 ' HB ' ' HB2' ' A' ' 4' ' ' PRO . 79.3 m -129.04 79.51 1.92 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.676 0.75 . . . . 0.0 109.739 174.935 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -97.25 87.14 4.09 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.434 -178.999 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.406 ' HA ' ' NE2' ' A' ' 32' ' ' GLN . 0.5 OUTLIER -122.26 80.5 1.72 Allowed 'General case' 0 N--CA 1.443 -0.785 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 -179.804 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 40.8 t -73.96 124.98 27.22 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.651 -1.159 . . . . 0.0 111.525 -173.26 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 33.6 p -103.76 -7.09 20.86 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.878 -179.878 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.3 125.87 11.74 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.529 0.68 . . . . 0.0 111.797 -178.257 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.575 HD23 ' SG ' ' A' ' 53' ' ' CYS . 63.7 mt -96.74 145.47 25.78 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.531 -0.758 . . . . 0.0 110.431 -177.474 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -78.73 -27.56 44.85 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 177.374 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.437 HH11 ' HD3' ' A' ' 15' ' ' ARG . 14.6 mmm-85 71.33 -50.95 0.69 Allowed 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 115.336 -0.847 . . . . 0.0 112.117 176.661 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 61.5 tttp -66.38 141.34 97.14 Favored Pre-proline 0 C--N 1.325 -0.487 0 C-N-CA 122.826 0.45 . . . . 0.0 111.454 -178.635 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_exo -57.56 148.05 75.38 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.776 2.317 . . . . 0.0 111.7 170.864 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.625 ' HB3' HD11 ' A' ' 22' ' ' LEU . 63.7 mt -94.29 156.37 16.56 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.931 0.396 . . . . 0.0 111.457 -174.913 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.625 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 12.8 m -81.1 138.86 35.92 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.491 178.549 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.593 ' OD1' ' HE3' ' A' ' 71' ' ' LYS . 25.0 t70 -61.57 -32.04 72.11 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.91 -176.787 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.547 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 89.4 mttt -58.63 -47.48 84.26 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.966 179.866 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.625 HD11 ' HB3' ' A' ' 18' ' ' LEU . 4.6 pp -74.55 -28.99 61.19 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.485 178.461 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.534 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 59.6 mt -61.8 -45.82 92.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.673 -178.44 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.547 ' HG2' ' O ' ' A' ' 21' ' ' LYS . 13.9 ptt180 -57.7 -8.55 0.93 Allowed 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -178.81 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.505 ' HE2' ' HA ' ' A' ' 22' ' ' LEU . 51.6 mtmt -106.31 7.93 31.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.73 0.3 . . . . 0.0 111.719 -177.91 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.542 HG22 ' HG ' ' A' ' 47' ' ' LEU . 91.7 t -75.03 138.96 19.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 174.524 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 28.0 pt -97.56 -41.55 10.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.433 -178.814 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -147.18 151.94 37.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.85 0.357 . . . . 0.0 110.328 -179.13 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 40.8 t -109.41 136.88 43.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 177.784 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.412 ' CD ' ' HD1' ' A' ' 46' ' ' HIS . 0.6 OUTLIER -132.94 171.25 14.2 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.747 -175.42 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -146.18 139.11 25.65 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.273 178.809 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.504 ' HG2' ' O ' ' A' ' 40' ' ' LEU . 61.3 tt0 -81.21 114.48 20.05 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 171.835 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -64.51 130.72 44.8 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.353 -178.408 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.689 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . . . -70.34 -17.77 63.07 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.888 -175.435 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -141.2 -18.2 0.81 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.132 -178.374 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -71.52 -96.2 0.07 OUTLIER Glycine 0 CA--C 1.519 0.334 0 C-N-CA 121.125 -0.56 . . . . 0.0 113.485 -177.679 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -75.36 -26.53 58.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.388 0.613 . . . . 0.0 110.363 -176.477 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 60.2 m -133.07 -175.74 3.89 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.875 -178.646 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 4.8 p80 -120.09 30.11 7.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.169 0.509 . . . . 0.0 111.155 -178.131 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.504 ' O ' ' HG2' ' A' ' 32' ' ' GLN . 0.8 OUTLIER -157.12 156.65 33.1 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 174.792 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.689 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 7.3 tt0 -104.21 143.69 32.61 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.962 -0.295 . . . . 0.0 111.334 -176.871 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.572 ' HA ' ' HG3' ' A' ' 56' ' ' PRO . . . -162.14 127.58 3.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.127 173.805 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.45 ' HD2' ' HA ' ' A' ' 56' ' ' PRO . 30.2 m-85 -86.36 117.92 25.47 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 175.79 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 24.5 t -114.6 137.48 47.84 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.938 -169.403 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.504 HD22 ' N ' ' A' ' 45' ' ' LEU . 2.7 mm? -109.74 113.83 26.91 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.496 -0.774 . . . . 0.0 109.489 -175.477 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.412 ' HD1' ' CD ' ' A' ' 30' ' ' GLU . 0.5 OUTLIER -105.33 112.81 26.06 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.791 -171.572 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.542 ' HG ' HG22 ' A' ' 26' ' ' VAL . 4.9 mp -100.67 163.44 12.34 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.642 178.495 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.27 -20.57 63.04 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.865 0.364 . . . . 0.0 111.286 -177.145 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.88 -5.37 12.04 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.352 -176.143 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.406 ' HG3' HD13 ' A' ' 47' ' ' LEU . 14.0 ptm180 -169.24 174.48 6.12 Favored 'General case' 0 C--O 1.224 -0.271 0 C-N-CA 121.016 -0.273 . . . . 0.0 110.877 -172.575 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 38.8 m -145.69 123.88 12.21 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.817 0.341 . . . . 0.0 110.378 177.313 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.54 HG21 HD21 ' A' ' 18' ' ' LEU . 54.4 mt -114.18 134.48 56.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.913 178.985 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.575 ' SG ' HD23 ' A' ' 13' ' ' LEU . 42.4 t -104.16 120.38 40.99 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 120.976 0.417 . . . . 0.0 110.412 -178.461 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.53 HG21 ' HB2' ' A' ' 61' ' ' LEU . 0.4 OUTLIER -100.95 144.94 12.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.512 0.672 . . . . 0.0 112.388 -178.526 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.409 ' O ' ' HB2' ' A' ' 58' ' ' ASN . 40.9 t-80 -62.03 124.76 83.28 Favored Pre-proline 0 C--O 1.224 -0.272 0 CA-C-N 114.983 -1.008 . . . . 0.0 109.418 173.291 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.572 ' HG3' ' HA ' ' A' ' 42' ' ' ALA . 93.5 Cg_exo -41.95 -58.03 1.32 Allowed 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 123.341 2.694 . . . . 0.0 113.883 -174.195 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -81.45 78.8 8.18 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.792 -0.448 . . . . 0.0 109.792 175.571 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.438 ' HA ' ' HD2' ' A' ' 59' ' ' PRO . 64.1 t30 -137.84 126.18 14.36 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.399 178.307 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.438 ' HD2' ' HA ' ' A' ' 58' ' ' ASN . 11.0 Cg_endo -54.79 -30.32 67.0 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 122.963 2.442 . . . . 0.0 112.238 177.873 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.541 ' HA ' ' OE1' ' A' ' 63' ' ' GLN . 11.7 t -62.25 -35.52 79.19 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.634 -179.796 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.53 ' HB2' HG21 ' A' ' 54' ' ' ILE . 1.1 tm? -71.0 -47.98 55.72 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 179.92 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.5 m -58.69 -50.66 73.05 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.941 179.557 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.541 ' OE1' ' HA ' ' A' ' 60' ' ' SER . 3.7 pt20 -65.38 -28.39 69.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.439 -178.604 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.534 ' CZ3' ' HB3' ' A' ' 23' ' ' LEU . 12.3 t-105 -68.3 -35.48 77.88 Favored 'General case' 0 C--O 1.219 -0.513 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.994 179.647 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.412 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 6.4 m-85 -62.69 -33.01 74.21 Favored 'General case' 0 C--N 1.319 -0.737 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.24 175.359 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -72.86 -48.81 34.35 Favored 'General case' 0 C--O 1.24 0.59 0 CA-C-O 121.569 0.699 . . . . 0.0 110.367 174.374 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.497 ' O ' ' HG2' ' A' ' 70' ' ' ARG . 12.3 m170 -66.35 -35.86 81.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.562 -177.489 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.412 ' HG2' ' O ' ' A' ' 65' ' ' PHE . 10.4 pt20 -68.06 -29.25 68.17 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.765 -0.458 . . . . 0.0 109.765 179.919 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -62.81 -28.89 70.31 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.161 177.062 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.497 ' HG2' ' O ' ' A' ' 67' ' ' HIS . 8.0 ptp180 -106.57 10.68 31.12 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.534 -178.236 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.593 ' HE3' ' OD1' ' A' ' 20' ' ' ASP . 53.2 mttm -136.59 -154.77 0.57 Allowed 'General case' 0 N--CA 1.468 0.442 0 O-C-N 122.458 -0.151 . . . . 0.0 111.21 179.586 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.9 mp 65.2 -70.24 0.09 Allowed 'General case' 0 C--N 1.345 0.405 0 C-N-CA 123.692 0.797 . . . . 0.0 111.489 -176.12 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 53.6 t-80 175.31 -25.1 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.435 -171.776 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 99.51 14.62 34.58 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.022 -178.053 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.8 p -118.29 112.27 19.85 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.693 0.283 . . . . 0.0 111.083 179.709 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 45.7 mt -142.06 157.7 63.3 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.346 -179.578 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -87.87 173.62 5.02 Favored 'Trans proline' 0 N--CA 1.454 -0.845 0 C-N-CA 122.718 2.279 . . . . 0.0 112.734 -176.36 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.77 57.6 4.47 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.381 0.61 . . . . 0.0 111.293 178.249 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -85.05 2.65 42.31 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.732 0.777 . . . . 0.0 110.198 176.599 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 62.47 74.55 0.43 Allowed 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 113.932 -1.486 . . . . 0.0 110.68 -177.891 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.611 ' O ' ' HG3' ' A' ' 85' ' ' ARG . 1.0 OUTLIER -68.83 -21.59 64.28 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.75 178.047 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -72.25 -0.48 45.56 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 121.115 -0.564 . . . . 0.0 112.674 178.267 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 58.2 ttp -61.53 -35.41 77.66 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 121.06 0.457 . . . . 0.0 111.306 179.422 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.634 HD13 ' H ' ' A' ' 84' ' ' LEU . 0.0 OUTLIER -123.74 -3.11 8.26 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.75 -176.853 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.611 ' HG3' ' O ' ' A' ' 81' ' ' PHE . 49.2 mtm180 -82.93 135.23 34.97 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 177.421 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.459 ' HD2' ' HA ' ' A' ' 86' ' ' LYS . 44.4 tptt 70.23 12.18 7.6 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 122.055 0.931 . . . . 0.0 109.305 -175.506 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 49.2 tpp -105.52 -26.71 11.78 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.892 -1.049 . . . . 0.0 109.186 176.148 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.968 0 CA-C-O 118.628 -1.096 . . . . 0.0 111.517 177.866 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 71.2 t80 . . . . . 0 N--CA 1.481 1.076 0 CA-C-O 120.836 0.35 . . . . 0.0 110.172 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 24.9 tp -60.01 141.32 55.85 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 174.141 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.492 ' HG ' ' HB2' ' A' ' 53' ' ' CYS . 4.2 mm? -67.13 114.47 18.54 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 123.31 0.381 . . . . 0.0 110.241 177.244 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.427 ' HB2' ' OG1' ' A' ' 7' ' ' THR . 15.1 Cg_exo -67.74 129.46 19.89 Favored 'Trans proline' 0 N--CA 1.456 -0.714 0 C-N-CA 122.535 2.157 . . . . 0.0 111.112 178.502 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.481 ' HA ' ' OG ' ' A' ' 51' ' ' SER . 53.7 Cg_exo -54.59 126.44 22.35 Favored 'Trans proline' 0 C--O 1.235 0.365 0 C-N-CA 122.912 2.408 . . . . 0.0 112.498 -178.732 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.4 m 70.13 25.79 4.61 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.4 177.858 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.427 ' OG1' ' HB2' ' A' ' 4' ' ' PRO . 13.9 m -117.05 105.84 12.73 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.712 175.077 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -95.89 86.56 4.37 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -172.124 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 7.4 t -164.56 65.41 0.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.89 0.853 . . . . 0.0 109.264 169.474 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 13.0 t -86.6 122.84 31.08 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 114.638 -1.165 . . . . 0.0 110.323 178.146 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.0 t -112.95 5.45 17.3 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.546 176.853 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.43 HE22 HD21 ' A' ' 3' ' ' LEU . 0.0 OUTLIER -135.27 95.17 3.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.777 0.798 . . . . 0.0 111.134 178.413 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.674 HD23 ' SG ' ' A' ' 53' ' ' CYS . 48.5 mt -75.01 142.86 43.78 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.337 -175.756 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 16.8 t80 -75.34 -37.02 60.92 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.638 -0.505 . . . . 0.0 109.638 177.788 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 75.0 mtm180 72.17 -19.55 0.28 Allowed 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 173.327 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -90.64 155.35 45.85 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-O 120.816 0.341 . . . . 0.0 111.439 -177.327 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_endo -76.21 142.39 24.26 Favored 'Trans proline' 0 N--CA 1.461 -0.394 0 C-N-CA 122.494 2.129 . . . . 0.0 111.357 172.494 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.931 ' HB3' HD11 ' A' ' 22' ' ' LEU . 87.2 mt -96.18 144.17 26.63 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 120.945 0.403 . . . . 0.0 110.778 -176.743 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.541 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 17.3 m -70.94 143.81 50.77 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.803 -178.94 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.506 ' HA ' HD12 ' A' ' 23' ' ' LEU . 16.7 t70 -61.69 -30.66 70.89 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.172 -175.826 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.637 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 66.1 mttm -63.21 -46.78 85.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.265 179.094 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.931 HD11 ' HB3' ' A' ' 18' ' ' LEU . 4.5 pp -74.15 -26.64 60.43 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.603 -0.439 . . . . 0.0 110.027 176.874 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.506 HD12 ' HA ' ' A' ' 20' ' ' ASP . 53.7 mt -63.32 -41.63 98.92 Favored 'General case' 0 C--O 1.22 -0.476 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.174 178.223 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.637 ' HG2' ' O ' ' A' ' 21' ' ' LYS . 13.9 ptm180 -64.32 -4.37 3.73 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 121.246 0.546 . . . . 0.0 111.56 -179.084 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.403 ' HD3' ' HA ' ' A' ' 22' ' ' LEU . 40.3 mtpt -103.06 0.13 31.55 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.484 177.538 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.952 HG22 ' HG ' ' A' ' 47' ' ' LEU . 30.5 t -86.79 137.91 20.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 173.812 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 17.7 pt -114.86 -23.68 4.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -175.578 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.498 ' HB2' ' HB3' ' A' ' 46' ' ' HIS . 72.3 mm-40 -143.57 157.54 44.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.976 0.417 . . . . 0.0 111.663 -177.307 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.441 HG23 HE22 ' A' ' 68' ' ' GLN . 20.3 t -116.38 122.66 70.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 172.107 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.618 ' HG3' ' HB ' ' A' ' 44' ' ' VAL . 3.7 pt-20 -116.5 122.61 45.24 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.204 0.526 . . . . 0.0 111.02 -177.667 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 40.7 tp -93.33 121.42 34.69 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.357 -173.76 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -91.46 119.9 31.83 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.193 -0.912 . . . . 0.0 109.675 175.899 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -81.12 151.2 28.4 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.591 -176.537 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.727 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . . . -75.88 -8.55 57.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.807 -173.075 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -146.25 4.09 0.92 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.43 -176.308 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -76.15 -86.96 0.33 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.421 -175.302 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -107.64 5.8 27.23 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.054 0.454 . . . . 0.0 110.058 179.915 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -157.29 154.91 29.81 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.011 -0.736 . . . . 0.0 109.011 -178.335 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -92.57 38.29 1.01 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.16 0.505 . . . . 0.0 110.905 179.969 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.5 tt -157.68 138.13 12.85 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 -176.634 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.727 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 35.6 tt0 -94.55 129.52 41.33 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.948 0.404 . . . . 0.0 110.5 179.658 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.424 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -146.38 151.95 38.3 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.852 -178.454 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.46 ' HB3' ' HG ' ' A' ' 61' ' ' LEU . 22.3 m-85 -109.83 102.45 11.23 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 173.065 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.618 ' HB ' ' HG3' ' A' ' 30' ' ' GLU . 40.9 t -96.36 133.33 38.05 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.425 -173.853 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.655 HD12 HD12 ' A' ' 18' ' ' LEU . 47.2 mt -100.74 122.96 44.25 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.298 0.57 . . . . 0.0 110.784 -179.027 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.498 ' HB3' ' HB2' ' A' ' 28' ' ' GLN . 4.8 t60 -92.85 95.95 9.83 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.068 -0.969 . . . . 0.0 110.214 -176.306 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.952 ' HG ' HG22 ' A' ' 26' ' ' VAL . 6.1 mp -76.71 166.94 22.68 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 174.556 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.35 -17.99 64.97 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 120.943 0.401 . . . . 0.0 111.184 -175.085 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.7 -19.14 10.08 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.385 -175.82 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -162.96 178.08 8.67 Favored 'General case' 0 C--O 1.22 -0.486 0 CA-C-N 116.804 -0.18 . . . . 0.0 111.001 -164.771 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.481 ' OG ' ' HA ' ' A' ' 5' ' ' PRO . 53.9 m -132.46 139.27 47.92 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.99 0.424 . . . . 0.0 110.418 174.003 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 66.5 mt -116.07 142.98 27.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 179.003 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.674 ' SG ' HD23 ' A' ' 13' ' ' LEU . 41.6 t -102.14 120.85 41.12 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.004 0.43 . . . . 0.0 110.9 -174.378 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -116.31 144.75 23.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-O 121.23 0.538 . . . . 0.0 111.037 -177.269 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 40.9 t-80 -77.54 133.25 67.43 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.359 175.794 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.519 ' O ' ' HB2' ' A' ' 57' ' ' GLN . 51.3 Cg_exo -53.95 151.85 25.58 Favored 'Trans proline' 0 CA--C 1.528 0.183 0 C-N-CA 122.467 2.111 . . . . 0.0 112.07 176.956 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.519 ' HB2' ' O ' ' A' ' 56' ' ' PRO . 12.7 mm100 76.87 -1.76 2.79 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.01 0.524 . . . . 0.0 112.229 -178.224 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -74.92 123.94 89.25 Favored Pre-proline 0 C--N 1.326 -0.453 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 172.311 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -54.73 -26.35 46.69 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 123.451 2.767 . . . . 0.0 112.552 -175.535 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 21.3 t -60.46 -30.33 69.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.146 -179.337 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.46 ' HG ' ' HB3' ' A' ' 43' ' ' PHE . 0.3 OUTLIER -80.44 -54.63 5.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.743 0.306 . . . . 0.0 110.439 -179.317 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.578 ' O ' ' HB2' ' A' ' 65' ' ' PHE . 5.4 m -60.44 -45.92 91.9 Favored 'General case' 0 C--O 1.242 0.661 0 CA-C-O 121.447 0.642 . . . . 0.0 111.011 -177.332 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -64.7 -31.7 73.05 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.227 177.511 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.561 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 25.7 t-105 -65.58 -33.27 75.52 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.489 177.853 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.788 ' HB3' ' O ' ' A' ' 81' ' ' PHE . 2.1 m-85 -52.24 -52.98 49.29 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.147 0.498 . . . . 0.0 110.279 175.614 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -79.07 -31.77 44.52 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 120.216 -0.593 . . . . 0.0 111.186 -179.071 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.529 ' HB2' ' HA ' ' A' ' 64' ' ' TRP . 9.1 m170 -63.25 -44.56 94.84 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.03 178.309 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.561 ' HG2' ' O ' ' A' ' 64' ' ' TRP . 3.9 pt20 -66.61 -31.71 72.58 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-O 120.594 0.235 . . . . 0.0 110.435 -179.59 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -54.66 -36.19 64.34 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.434 178.279 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 26.8 ptt180 -114.68 36.43 3.82 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.954 179.309 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.57 ' HD3' ' HB3' ' A' ' 24' ' ' ARG . 8.0 ttmm -144.02 -157.89 0.83 Allowed 'General case' 0 CA--C 1.535 0.378 0 O-C-N 122.106 -0.371 . . . . 0.0 110.426 -178.054 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.405 HD12 ' N ' ' A' ' 72' ' ' LEU . 7.3 mp 61.56 -88.37 0.02 OUTLIER 'General case' 0 C--N 1.344 0.329 0 C-N-CA 123.081 0.552 . . . . 0.0 111.844 -178.796 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 65.6 t-80 -150.89 6.87 0.53 Allowed 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 -177.618 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 84.35 26.41 39.88 Favored Glycine 0 N--CA 1.445 -0.739 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 -170.571 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.519 ' O ' ' HB2' ' A' ' 76' ' ' LEU . 6.0 p -82.2 -176.44 6.17 Favored 'General case' 0 N--CA 1.439 -1.014 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 175.409 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.519 ' HB2' ' O ' ' A' ' 75' ' ' THR . 10.3 mt 72.5 162.22 0.15 Allowed Pre-proline 0 C--N 1.323 -0.563 0 O-C-N 124.02 0.825 . . . . 0.0 110.576 179.624 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.46 ' HD2' ' HB3' ' A' ' 76' ' ' LEU . 44.1 Cg_endo -81.46 111.96 2.41 Favored 'Trans proline' 0 N--CA 1.451 -0.99 0 C-N-CA 121.913 1.742 . . . . 0.0 111.392 -178.259 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.418 ' NZ ' ' HB3' ' A' ' 78' ' ' LYS . 9.4 mtpm? -72.64 89.1 1.3 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.505 0.669 . . . . 0.0 111.119 -175.966 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 77' ' ' PRO . 7.4 mt -124.88 -136.32 0.28 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.561 -1.2 . . . . 0.0 108.175 -179.217 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.682 ' O ' ' HB2' ' A' ' 85' ' ' ARG . 0.2 OUTLIER -125.24 129.01 49.19 Favored 'General case' 0 C--N 1.305 -1.338 0 CA-C-N 114.624 -1.171 . . . . 0.0 107.899 162.896 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.788 ' O ' ' HB3' ' A' ' 65' ' ' PHE . 9.2 p90 -162.68 98.65 0.99 Allowed 'General case' 0 C--N 1.314 -0.972 0 CA-C-O 121.165 0.507 . . . . 0.0 110.608 176.197 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.44 ' H ' ' NE ' ' A' ' 85' ' ' ARG . . . -94.83 -32.53 7.14 Favored Glycine 0 N--CA 1.446 -0.689 0 N-CA-C 109.393 -1.483 . . . . 0.0 109.393 167.912 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 11.7 mtp -157.5 90.34 1.09 Allowed 'General case' 0 CA--C 1.516 -0.343 0 CA-C-N 114.862 -0.669 . . . . 0.0 110.653 169.208 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.494 ' H ' ' HE2' ' A' ' 65' ' ' PHE . 19.0 mt 62.45 27.42 16.29 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.227 -0.897 . . . . 0.0 112.882 174.224 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.682 ' HB2' ' O ' ' A' ' 80' ' ' ASN . 52.4 mtt180 -64.17 102.58 0.52 Allowed 'General case' 0 N--CA 1.435 -1.188 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 176.223 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.533 ' HB2' ' O ' ' A' ' 85' ' ' ARG . 12.5 mmmm 102.34 -7.33 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 125.189 1.395 . . . . 0.0 109.988 176.501 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 4.5 mpp? -103.36 -21.06 13.87 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.544 172.004 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.154 0 CA-C-O 118.372 -1.238 . . . . 0.0 110.902 177.22 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.425 ' HA ' ' HB2' ' A' ' 38' ' ' CYS . 24.4 t . . . . . 0 N--CA 1.448 -0.538 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 75.4 m -71.97 117.75 13.97 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.707 -1.133 . . . . 0.0 111.03 -176.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 16.5 p -92.51 -8.53 44.28 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.655 0.741 . . . . 0.0 109.763 171.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -120.42 157.07 30.11 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 114.938 -1.028 . . . . 0.0 110.506 178.581 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 93.5 mt -135.08 139.87 45.07 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 178.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.604 ' CE2' ' HB2' ' A' ' 16' ' ' LYS . 23.0 t80 -70.9 -46.87 61.77 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.558 -177.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 63.0 mtp180 71.23 10.37 6.73 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 171.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.604 ' HB2' ' CE2' ' A' ' 14' ' ' TYR . 2.1 mptm? -102.15 148.23 35.09 Favored Pre-proline 0 C--N 1.326 -0.431 0 C-N-CA 120.889 -0.324 . . . . 0.0 110.629 175.215 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -69.89 110.99 2.71 Favored 'Trans proline' 0 C--O 1.239 0.549 0 C-N-CA 122.247 1.965 . . . . 0.0 110.712 169.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.616 HD12 HD12 ' A' ' 45' ' ' LEU . 71.0 mt -69.05 144.33 54.04 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.082 0.468 . . . . 0.0 111.123 -173.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.645 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 9.4 m -71.59 131.76 43.68 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.357 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.544 ' HA ' HD12 ' A' ' 23' ' ' LEU . 33.7 t70 -58.73 -28.45 65.86 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.311 0.577 . . . . 0.0 110.724 -178.024 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.605 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 90.6 mttt -59.03 -48.2 82.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.199 -0.909 . . . . 0.0 110.641 177.684 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.645 ' HG ' ' O ' ' A' ' 19' ' ' SER . 4.2 pp -75.3 -27.72 59.44 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.365 176.032 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.594 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 70.5 mt -61.77 -36.29 80.62 Favored 'General case' 0 C--O 1.225 -0.205 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.533 -178.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.605 ' HG2' ' O ' ' A' ' 21' ' ' LYS . 13.2 ptm180 -63.88 -0.42 1.07 Allowed 'General case' 0 N--CA 1.47 0.559 0 O-C-N 122.101 -0.375 . . . . 0.0 111.72 179.527 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -114.32 7.29 16.38 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.882 177.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 1.044 HG22 ' HG ' ' A' ' 47' ' ' LEU . 43.1 t -92.26 89.47 2.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 121.242 0.544 . . . . 0.0 109.689 178.192 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 26.4 pt -75.68 -15.92 15.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.591 -0.732 . . . . 0.0 112.72 -171.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.6 ' HB2' ' HB3' ' A' ' 46' ' ' HIS . 68.5 mm-40 -142.68 151.36 41.31 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.205 0.526 . . . . 0.0 112.007 -175.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.65 HG21 HE22 ' A' ' 68' ' ' GLN . 54.0 t -120.16 115.19 46.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 170.454 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.636 ' HG3' HG22 ' A' ' 44' ' ' VAL . 6.5 pt-20 -110.34 120.75 43.44 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.747 0.784 . . . . 0.0 111.143 -175.571 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 44.5 tp -84.48 120.56 26.46 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 114.895 -1.048 . . . . 0.0 110.808 -177.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.571 ' NE2' ' HG ' ' A' ' 40' ' ' LEU . 45.2 tt0 -80.23 104.29 10.68 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.342 173.63 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -69.88 141.37 53.19 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.516 -179.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.641 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . . . -75.89 4.3 8.42 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.786 -176.216 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -159.29 -39.81 0.06 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.128 178.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -69.82 -7.1 58.26 Favored Glycine 0 CA--C 1.521 0.408 0 CA-C-N 115.664 -0.698 . . . . 0.0 113.89 -176.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -149.19 -49.53 0.15 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 117.551 0.676 . . . . 0.0 110.863 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.425 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 44.8 t -127.39 179.47 5.46 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 178.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 28.3 p-80 -93.99 9.64 36.71 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.757 0.313 . . . . 0.0 111.627 -178.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.571 ' HG ' ' NE2' ' A' ' 32' ' ' GLN . 0.6 OUTLIER -149.82 163.19 38.68 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 174.111 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.641 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 50.5 tt0 -99.91 139.16 35.98 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.895 0.378 . . . . 0.0 111.126 -176.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.594 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -153.19 150.68 29.28 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.638 177.044 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.56 ' O ' ' HB ' ' A' ' 54' ' ' ILE . 15.3 m-85 -106.62 99.51 9.08 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 172.553 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.636 HG22 ' HG3' ' A' ' 30' ' ' GLU . 0.8 OUTLIER -107.55 141.81 21.83 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 C-N-CA 120.048 -0.661 . . . . 0.0 109.917 -175.088 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.616 HD12 HD12 ' A' ' 18' ' ' LEU . 58.0 mt -100.05 132.24 45.52 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.372 -172.413 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.6 ' HB3' ' HB2' ' A' ' 28' ' ' GLN . 22.9 t60 -101.95 101.4 11.81 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.763 -175.2 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 1.044 ' HG ' HG22 ' A' ' 26' ' ' VAL . 5.2 mp -81.94 168.38 17.95 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 173.713 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -76.41 1.38 16.52 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-O 120.804 0.335 . . . . 0.0 111.529 -175.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.403 HE21 ' HB2' ' A' ' 49' ' ' GLN . 0.0 OUTLIER -135.24 -2.36 2.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.003 -178.421 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.431 ' HG3' HD13 ' A' ' 47' ' ' LEU . 8.8 ptp180 -175.73 170.95 2.79 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 120.959 -0.296 . . . . 0.0 111.618 -169.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 59.0 m -133.56 138.75 46.2 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.777 172.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.436 ' O ' ' HB ' ' A' ' 44' ' ' VAL . 61.5 mt -119.45 144.0 29.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 -178.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.531 ' HA ' ' HB ' ' A' ' 44' ' ' VAL . 33.8 m -100.64 121.8 42.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.417 0.627 . . . . 0.0 110.552 -173.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.56 ' HB ' ' O ' ' A' ' 43' ' ' PHE . 6.2 mt -118.45 141.59 37.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.22 -176.239 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.489 ' CE1' ' HB2' ' A' ' 57' ' ' GLN . 36.1 t-80 -61.59 129.69 91.49 Favored Pre-proline 0 C--N 1.331 -0.196 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.486 174.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.594 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 5.4 Cg_endo -49.49 -43.17 39.85 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.797 2.332 . . . . 0.0 112.393 -177.641 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.489 ' HB2' ' CE1' ' A' ' 55' ' ' HIS . 3.1 mp0 -87.32 82.14 7.68 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 173.046 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.426 ' HA ' ' HD2' ' A' ' 59' ' ' PRO . 64.8 t30 -144.38 126.01 8.04 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 116.638 -0.256 . . . . 0.0 110.603 177.6 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' A' ' 58' ' ' ASN . 9.3 Cg_endo -53.75 -30.81 58.36 Favored 'Trans proline' 0 CA--C 1.531 0.355 0 C-N-CA 123.266 2.644 . . . . 0.0 112.783 178.697 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.3 t -63.3 -33.47 75.59 Favored 'General case' 0 N--CA 1.462 0.129 0 C-N-CA 121.165 -0.214 . . . . 0.0 110.887 -178.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.45 -43.67 31.62 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 67.9 m -60.39 -49.28 78.21 Favored 'General case' 0 C--O 1.241 0.634 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.538 177.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.421 ' HG3' ' O ' ' A' ' 59' ' ' PRO . 47.3 mt-30 -61.42 -31.51 71.45 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-O 121.004 0.43 . . . . 0.0 109.951 177.377 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.624 ' CH2' HD21 ' A' ' 72' ' ' LEU . 15.3 t-105 -67.17 -30.28 70.21 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.771 -179.664 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -61.02 -41.92 97.48 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.979 0.418 . . . . 0.0 110.157 174.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.402 ' OE1' ' HA ' ' A' ' 63' ' ' GLN . 25.1 mt-10 -66.51 -49.93 64.9 Favored 'General case' 0 C--O 1.239 0.552 0 CA-C-O 121.91 0.862 . . . . 0.0 109.99 176.124 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.437 ' HB3' ' HD3' ' A' ' 71' ' ' LYS . 13.6 m170 -66.12 -44.66 83.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.973 -1.012 . . . . 0.0 111.505 -174.123 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.65 HE22 HG21 ' A' ' 29' ' ' VAL . 2.7 pt20 -64.25 -28.95 70.08 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.996 0.427 . . . . 0.0 110.287 -177.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -68.17 -23.0 64.81 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.688 179.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 17.8 ptp180 -111.82 -3.47 14.92 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -178.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.437 ' HD3' ' HB3' ' A' ' 67' ' ' HIS . 23.5 mtpp -121.41 -153.27 0.54 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.667 -0.242 . . . . 0.0 110.542 -177.548 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.624 HD21 ' CH2' ' A' ' 64' ' ' TRP . 2.5 mm? . . . . . 0 N--CA 1.467 0.381 0 N-CA-C 112.991 0.737 . . . . 0.0 112.991 -177.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 38.0 t . . . . . 0 N--CA 1.45 -0.425 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 71.4 m -106.21 130.61 54.05 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.179 0.514 . . . . 0.0 111.528 -174.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.9 p -97.9 4.76 49.52 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.496 176.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -144.99 158.64 43.75 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.325 179.119 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.422 HD13 ' HB2' ' A' ' 55' ' ' HIS . 82.3 mt -137.48 143.96 42.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.048 0.451 . . . . 0.0 110.934 -177.016 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -81.82 -36.76 28.0 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.3 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 72.48 -59.36 0.56 Allowed 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.798 0.839 . . . . 0.0 112.294 177.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.422 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 26.9 mtpp -62.24 149.77 86.26 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 115.769 -0.65 . . . . 0.0 112.006 -171.52 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 16' ' ' LYS . 24.3 Cg_exo -63.85 122.69 10.83 Favored 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 122.913 2.408 . . . . 0.0 112.063 176.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.772 HD12 HD12 ' A' ' 45' ' ' LEU . 80.9 mt -76.05 172.63 12.44 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.343 179.356 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.484 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 31.7 t -93.63 142.97 26.75 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.735 0.302 . . . . 0.0 110.491 179.307 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -59.07 -28.87 66.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.194 178.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.454 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 58.5 mttp -57.17 -44.99 84.05 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.69 177.646 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.404 ' HG ' ' HB3' ' A' ' 19' ' ' SER . 0.6 OUTLIER -73.95 -35.07 64.51 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-O 121.512 0.672 . . . . 0.0 109.335 -179.737 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' A' ' 19' ' ' SER . 79.0 mt -64.98 -36.36 84.14 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.856 -1.065 . . . . 0.0 111.77 -173.758 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.707 ' HB3' ' HD3' ' A' ' 71' ' ' LYS . 15.6 ptt180 -70.75 4.04 2.79 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 121.057 0.456 . . . . 0.0 111.274 179.248 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.4 mtmt -114.89 6.45 15.41 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.128 178.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.534 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 13.6 t -74.77 141.8 15.5 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.703 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.356 177.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.612 HD13 ' HA ' ' A' ' 48' ' ' ALA . 13.6 pt -107.67 -23.51 4.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.327 -179.702 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -155.17 154.32 32.12 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.293 0.568 . . . . 0.0 112.106 -177.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.492 HG11 HE22 ' A' ' 68' ' ' GLN . 0.0 OUTLIER -120.21 116.81 51.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.411 170.847 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -122.15 154.49 37.36 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.225 0.536 . . . . 0.0 111.36 -177.43 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 66.3 tp -119.94 124.37 45.82 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.086 -178.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.564 ' O ' ' HA ' ' A' ' 41' ' ' GLN . 48.2 tt0 -81.84 115.62 21.13 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 168.782 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -83.09 151.86 25.58 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.742 0.306 . . . . 0.0 110.821 -175.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.6 -2.17 18.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.525 -175.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -147.96 -30.41 0.3 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.836 176.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -70.99 94.38 0.53 Allowed Glycine 0 N--CA 1.449 -0.456 0 CA-C-N 115.832 -0.622 . . . . 0.0 112.744 177.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.7 t70 99.03 -40.68 0.01 OUTLIER 'General case' 0 CA--C 1.507 -0.703 0 C-N-CA 125.234 1.414 . . . . 0.0 108.68 170.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 99.2 m -143.48 171.36 14.26 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 114.74 -1.118 . . . . 0.0 109.955 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 27.3 t60 -106.67 64.86 0.66 Allowed 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 121.064 -0.254 . . . . 0.0 111.523 -175.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.533 ' O ' ' HG2' ' A' ' 32' ' ' GLN . 1.1 pp 178.49 149.7 0.23 Allowed 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 171.188 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.564 ' HA ' ' O ' ' A' ' 32' ' ' GLN . 9.3 tt0 -99.3 136.91 38.56 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.742 0.306 . . . . 0.0 110.984 -176.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -156.13 136.4 13.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.883 178.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -92.77 122.07 34.8 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 174.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 41.8 t -110.55 122.27 64.78 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-O 121.116 0.484 . . . . 0.0 111.201 -173.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.772 HD12 HD12 ' A' ' 18' ' ' LEU . 50.8 mt -94.61 115.97 28.2 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.731 178.382 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -102.86 102.89 13.02 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.367 -170.084 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.534 ' HA ' ' HA ' ' A' ' 26' ' ' VAL . 6.2 mp -85.71 159.17 19.86 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 172.4 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.612 ' HA ' HD13 ' A' ' 27' ' ' ILE . . . -64.18 -20.98 66.38 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.897 0.379 . . . . 0.0 111.617 -177.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -89.16 -47.78 7.85 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.228 0.537 . . . . 0.0 109.803 -178.779 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.424 ' O ' ' HB2' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -165.27 167.88 17.51 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.333 -0.849 . . . . 0.0 109.855 -179.075 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.6 p -108.59 153.45 23.37 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.037 0.446 . . . . 0.0 111.339 -176.235 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 73.0 mt -120.8 136.93 56.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.266 177.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 46.1 m -102.28 121.51 42.42 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.934 0.397 . . . . 0.0 110.073 -175.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.558 HG21 HD23 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -114.17 145.71 19.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-O 121.148 0.499 . . . . 0.0 110.779 -176.208 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.436 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 50.6 t-80 -71.21 133.92 85.33 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.144 174.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 55' ' ' HIS . 24.0 Cg_exo -64.7 179.18 1.42 Allowed 'Trans proline' 0 CA--C 1.528 0.213 0 C-N-CA 122.562 2.175 . . . . 0.0 111.867 177.547 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 23.8 mp0 56.12 28.74 13.46 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 121.203 0.525 . . . . 0.0 110.357 -176.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.435 ' HB2' ' O ' ' A' ' 55' ' ' HIS . 64.1 t30 -113.36 127.75 26.46 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.053 -171.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.404 ' HD2' ' OD1' ' A' ' 58' ' ' ASN . 76.4 Cg_exo -52.37 -33.5 56.53 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 123.273 2.649 . . . . 0.0 113.361 178.7 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.4 m -55.76 -57.29 12.66 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-O 120.941 0.4 . . . . 0.0 111.0 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.558 HD23 HG21 ' A' ' 54' ' ' ILE . 0.1 OUTLIER -62.2 -36.79 82.99 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.972 178.009 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.533 ' HA ' ' CD2' ' A' ' 65' ' ' PHE . 19.6 m -61.36 -50.81 71.42 Favored 'General case' 0 C--O 1.245 0.863 0 CA-C-O 121.594 0.712 . . . . 0.0 110.875 -178.612 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -60.67 -36.56 79.04 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.364 -0.835 . . . . 0.0 109.874 176.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.502 ' HA ' ' HB2' ' A' ' 67' ' ' HIS . 10.5 t-105 -67.65 -30.28 69.79 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.053 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.547 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 15.3 m-85 -53.63 -52.09 61.01 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.043 0.449 . . . . 0.0 110.406 175.046 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.439 ' O ' ' HB3' ' A' ' 69' ' ' GLU . 8.4 mm-40 -79.15 -32.06 44.24 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.415 -0.514 . . . . 0.0 111.943 -179.369 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.502 ' HB2' ' HA ' ' A' ' 64' ' ' TRP . 7.6 m170 -67.39 -35.43 79.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.969 178.367 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.547 ' HG2' ' O ' ' A' ' 65' ' ' PHE . 1.8 pt20 -74.72 -27.09 60.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.216 0.531 . . . . 0.0 110.124 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.439 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 15.0 tp10 -59.35 -33.34 71.03 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.117 175.759 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -113.25 30.95 6.8 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.366 -177.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.707 ' HD3' ' HB3' ' A' ' 24' ' ' ARG . 12.6 ttmm -149.89 -150.13 0.33 Allowed 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 110.217 -0.29 . . . . 0.0 110.217 -176.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.531 HD12 ' O ' ' A' ' 26' ' ' VAL . 2.2 mm? . . . . . 0 N--CA 1.466 0.375 0 N-CA-C 112.878 0.696 . . . . 0.0 112.878 -176.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 3.5 t . . . . . 0 N--CA 1.447 -0.59 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.483 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 71.0 m -99.3 118.51 36.13 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.567 -171.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 18.1 p -84.99 2.97 40.67 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.172 173.29 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.483 ' O ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -151.55 167.94 26.48 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.983 -1.008 . . . . 0.0 109.807 -179.548 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.434 HD13 ' HB3' ' A' ' 55' ' ' HIS . 96.7 mt -135.48 152.16 51.09 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.622 0.249 . . . . 0.0 110.892 -177.519 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.427 ' CE2' ' HB2' ' A' ' 16' ' ' LYS . 72.1 t80 -89.26 -41.72 12.02 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 175.73 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 75.3 mtm180 74.85 -51.64 0.67 Allowed 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 115.226 -0.897 . . . . 0.0 112.858 173.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.427 ' HB2' ' CE2' ' A' ' 14' ' ' TYR . 47.9 mtmt -63.31 148.94 92.51 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-O 120.482 0.182 . . . . 0.0 111.182 -177.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.38 147.8 83.36 Favored 'Trans proline' 0 C--O 1.236 0.423 0 C-N-CA 122.904 2.403 . . . . 0.0 112.359 178.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.701 HD12 HD12 ' A' ' 45' ' ' LEU . 69.0 mt -95.62 161.26 14.12 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.11 -175.546 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.699 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 42.4 m -86.73 130.76 34.35 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.13 -178.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.421 ' HA ' HD12 ' A' ' 23' ' ' LEU . 14.7 t70 -56.8 -31.44 64.69 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.39 -176.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.0 mmtm -63.46 -40.94 98.47 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.908 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.699 ' HG ' ' O ' ' A' ' 19' ' ' SER . 4.5 pp -75.54 -29.94 59.57 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.405 -0.518 . . . . 0.0 109.943 174.689 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.717 ' HB3' ' CH2' ' A' ' 64' ' ' TRP . 73.3 mt -65.86 -42.83 89.91 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.921 -176.257 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 48.8 ptt85 -59.63 -17.51 34.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.803 0.335 . . . . 0.0 111.098 177.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.423 ' HE2' ' HA ' ' A' ' 22' ' ' LEU . 50.0 mtmt -97.63 2.3 49.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.976 0.417 . . . . 0.0 110.958 -179.122 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.875 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 17.8 t -71.23 145.06 12.84 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.773 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 173.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.432 HD13 ' HA ' ' A' ' 48' ' ' ALA . 37.1 pt -112.62 -28.81 2.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 C-N-CA 120.896 -0.321 . . . . 0.0 111.453 -178.417 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 74.8 mm-40 -149.4 153.03 36.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.124 0.487 . . . . 0.0 111.616 -177.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.7 p -106.68 132.69 53.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.262 -0.881 . . . . 0.0 108.744 170.293 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.441 ' CD ' ' HB2' ' A' ' 46' ' ' HIS . 2.9 pt-20 -128.72 162.43 27.41 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.115 0.483 . . . . 0.0 111.289 -175.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 47.3 tp -134.05 117.78 17.03 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.288 -173.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.695 ' O ' ' HA ' ' A' ' 41' ' ' GLN . 8.4 tt0 -74.86 111.1 9.73 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 168.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -88.19 145.73 25.75 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 121.102 0.477 . . . . 0.0 111.599 -176.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -77.37 0.42 22.48 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.877 -174.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -156.44 -27.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 111.79 0.292 . . . . 0.0 111.79 179.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -83.1 12.25 50.84 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 120.699 -0.762 . . . . 0.0 113.633 -174.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -177.71 -56.62 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.232 0.539 . . . . 0.0 109.946 179.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.431 ' SG ' ' HG3' ' A' ' 32' ' ' GLN . 14.4 m -111.59 -166.88 1.12 Allowed 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 176.013 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -114.99 0.15 13.58 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.019 -0.673 . . . . 0.0 111.637 178.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -127.66 162.01 27.53 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 175.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.695 ' HA ' ' O ' ' A' ' 32' ' ' GLN . 35.9 tt0 -116.13 134.47 54.9 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.01 0.433 . . . . 0.0 111.811 -173.005 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.606 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -154.61 133.27 12.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.815 178.154 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -85.18 113.56 21.64 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.378 0.608 . . . . 0.0 109.711 174.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.5 HG13 ' O ' ' A' ' 52' ' ' ILE . 80.1 t -110.11 137.84 40.58 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.934 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.531 -172.242 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.701 HD12 HD12 ' A' ' 18' ' ' LEU . 82.5 mt -107.57 125.2 51.01 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.2 -177.262 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.441 ' HB2' ' CD ' ' A' ' 30' ' ' GLU . 11.3 t-160 -112.84 109.45 18.92 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.645 -0.707 . . . . 0.0 112.174 -168.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.875 ' HA ' ' HA ' ' A' ' 26' ' ' VAL . 5.5 mp -78.87 167.76 20.69 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 171.595 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.432 ' HA ' HD13 ' A' ' 27' ' ' ILE . . . -58.98 -17.6 26.4 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 112.041 0.386 . . . . 0.0 112.041 -177.495 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.404 ' HB2' ' HG3' ' A' ' 50' ' ' ARG . 3.3 mp0 -103.82 -51.28 3.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.807 0.337 . . . . 0.0 110.922 -178.639 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.404 ' HG3' ' HB2' ' A' ' 49' ' ' GLN . 0.0 OUTLIER -147.31 169.62 19.04 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.837 0.31 . . . . 0.0 111.837 -170.6 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.432 ' HB3' ' CG1' ' A' ' 44' ' ' VAL . 53.4 m -112.35 156.98 21.57 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.251 -179.236 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.5 ' O ' HG13 ' A' ' 44' ' ' VAL . 54.4 mt -123.41 143.81 35.19 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 177.149 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 59.2 m -101.73 121.9 42.92 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 121.348 0.594 . . . . 0.0 112.303 -171.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 15.0 mt -131.1 143.13 41.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.261 -0.881 . . . . 0.0 109.877 178.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.434 ' HB3' HD13 ' A' ' 13' ' ' LEU . 6.0 p80 -86.16 145.62 40.87 Favored Pre-proline 0 C--N 1.33 -0.255 0 C-N-CA 120.208 -0.597 . . . . 0.0 109.409 177.249 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.606 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 81.8 Cg_exo -43.03 -53.47 4.03 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 124.035 3.157 . . . . 0.0 114.863 -169.676 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -80.91 71.66 7.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.119 0.485 . . . . 0.0 110.918 -177.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.404 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 24.1 t-20 -133.43 131.23 21.37 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.402 -178.314 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 58' ' ' ASN . 50.3 Cg_exo -55.68 -35.03 92.37 Favored 'Trans proline' 0 CA--C 1.528 0.194 0 C-N-CA 123.198 2.599 . . . . 0.0 113.13 -178.37 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 10.8 t -73.29 -24.86 60.47 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.749 -0.205 . . . . 0.0 111.055 -175.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -79.84 -45.77 18.1 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 -177.312 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.17 -50.87 68.65 Favored 'General case' 0 C--O 1.247 0.965 0 CA-C-O 121.579 0.704 . . . . 0.0 111.175 -178.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.4 pp0? -60.34 -28.23 67.99 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.928 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.717 ' CH2' ' HB3' ' A' ' 23' ' ' LEU . 26.9 t-105 -73.18 -31.11 64.02 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-N 115.476 -0.783 . . . . 0.0 111.058 -179.321 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -56.35 -44.84 80.48 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.487 176.315 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.411 ' O ' ' HB3' ' A' ' 69' ' ' GLU . 51.6 mt-10 -70.68 -40.21 73.06 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-O 121.425 0.631 . . . . 0.0 110.966 178.112 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 62.9 m170 -77.03 -34.96 57.25 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.903 -173.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.673 ' HB2' HD22 ' A' ' 72' ' ' LEU . 10.8 pt20 -69.05 -28.18 66.31 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 177.378 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.411 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 34.6 tt0 -61.24 -36.55 80.28 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.157 176.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -97.25 1.37 49.57 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.465 179.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.498 ' HD2' ' CH2' ' A' ' 64' ' ' TRP . 60.2 mttm -122.24 -149.72 0.43 Allowed 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 109.252 -0.648 . . . . 0.0 109.252 174.344 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.673 HD22 ' HB2' ' A' ' 68' ' ' GLN . 10.8 mp . . . . . 0 N--CA 1.473 0.681 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 175.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.447 -0.59 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.434 ' SG ' ' NE2' ' A' ' 12' ' ' GLN . 8.7 t -112.13 148.89 33.02 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 114.917 -1.038 . . . . 0.0 111.178 -169.584 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 21.7 p -121.3 0.98 10.18 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.363 177.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.611 ' O ' ' HB2' ' A' ' 53' ' ' CYS . 0.0 OUTLIER -107.84 97.93 7.58 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 179.011 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.452 HD13 ' HB2' ' A' ' 55' ' ' HIS . 86.9 mt -94.8 112.55 24.27 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.054 0.454 . . . . 0.0 110.457 -177.137 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.554 ' CE2' ' HE2' ' A' ' 16' ' ' LYS . 31.2 t80 -63.59 -57.2 10.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.296 -0.866 . . . . 0.0 111.876 -172.354 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 71.0 mtm180 61.83 71.19 0.55 Allowed 'General case' 0 N--CA 1.468 0.451 0 O-C-N 123.458 0.474 . . . . 0.0 112.105 178.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.554 ' HE2' ' CE2' ' A' ' 14' ' ' TYR . 33.3 ttpt -176.02 143.54 0.66 Allowed Pre-proline 0 C--N 1.327 -0.386 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 177.155 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.93 ' HA ' ' HB2' ' A' ' 60' ' ' SER . 49.5 Cg_exo -57.01 122.46 11.86 Favored 'Trans proline' 0 C--O 1.233 0.268 0 C-N-CA 122.34 2.027 . . . . 0.0 112.069 174.118 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.417 HD11 HG21 ' A' ' 52' ' ' ILE . 80.9 mt -83.96 157.04 22.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.579 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.646 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 13.6 m -74.41 131.56 41.19 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.315 178.745 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.491 ' HA ' HD12 ' A' ' 23' ' ' LEU . 18.8 t70 -59.28 -29.24 67.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.134 0.492 . . . . 0.0 110.494 -178.35 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.472 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 13.1 mmmm -57.03 -47.64 80.42 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.379 177.585 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.646 ' HG ' ' O ' ' A' ' 19' ' ' SER . 4.3 pp -75.16 -31.21 60.95 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.162 177.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.575 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 71.9 mt -60.85 -40.77 94.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.706 -177.375 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.502 ' HB3' ' HD3' ' A' ' 71' ' ' LYS . 28.2 ptt180 -64.58 2.31 0.67 Allowed 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -178.598 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.531 ' HB2' HD23 ' A' ' 47' ' ' LEU . 48.7 mtmt -113.63 -0.75 14.22 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.044 178.593 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.621 ' HA ' ' HG ' ' A' ' 47' ' ' LEU . 41.4 t -72.41 105.74 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 179.781 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 35.7 pt -74.11 -32.09 31.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.989 -168.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 23.6 mm-40 -150.46 155.33 39.32 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.763 0.316 . . . . 0.0 110.563 178.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 87.1 t -115.42 134.26 59.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.598 176.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.414 ' HG2' ' O ' ' A' ' 44' ' ' VAL . 4.7 pt-20 -130.52 141.3 50.49 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.274 0.559 . . . . 0.0 111.436 -175.446 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 44.0 tp -104.48 113.12 26.49 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.886 178.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.428 ' O ' ' HA ' ' A' ' 41' ' ' GLN . 52.9 tt0 -79.9 107.83 12.99 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.231 174.491 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -79.29 141.13 37.3 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.079 -176.264 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.679 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . . . -83.2 15.62 2.81 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.583 -0.735 . . . . 0.0 112.194 -174.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -157.67 -49.85 0.07 Allowed 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.788 -0.365 . . . . 0.0 111.555 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -62.23 -32.76 83.76 Favored Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.929 -0.653 . . . . 0.0 112.961 -178.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -117.29 -65.7 1.16 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.852 0.358 . . . . 0.0 110.244 -178.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 35.2 m -113.54 -170.05 1.62 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.322 -176.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 7.1 p80 -96.68 -6.16 37.15 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 121.006 -0.278 . . . . 0.0 111.288 178.489 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.0 pp -135.32 153.86 51.72 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 -178.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.679 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 59.5 tt0 -98.8 138.07 36.48 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 123.433 0.458 . . . . 0.0 110.588 -176.45 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.513 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -151.96 143.59 23.56 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.099 0.476 . . . . 0.0 111.02 178.678 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.543 ' O ' ' HB ' ' A' ' 54' ' ' ILE . 62.3 m-85 -102.25 100.63 10.84 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 172.197 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.414 ' O ' ' HG2' ' A' ' 30' ' ' GLU . 24.1 t -101.25 125.38 55.23 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.996 0 CA-C-O 121.265 0.555 . . . . 0.0 110.496 -172.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 73.1 mt -95.25 115.24 27.16 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.421 -179.066 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -101.95 112.13 24.65 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.177 -169.159 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.621 ' HG ' ' HA ' ' A' ' 26' ' ' VAL . 5.6 mp -100.56 166.36 10.95 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 174.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.38 -11.88 60.37 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.061 0.458 . . . . 0.0 110.926 -176.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.41 -23.75 10.14 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.808 -178.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 50' ' ' ARG . 9.9 ptm180 -163.07 171.25 16.71 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.746 -166.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 17.0 m -141.67 128.18 20.13 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.925 0.393 . . . . 0.0 110.456 178.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.417 HG21 HD11 ' A' ' 18' ' ' LEU . 4.3 mp -106.35 131.81 55.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 177.115 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.611 ' HB2' ' O ' ' A' ' 12' ' ' GLN . 22.4 m -102.0 120.85 41.08 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.275 0.56 . . . . 0.0 109.908 -177.736 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.547 HG21 ' HB2' ' A' ' 61' ' ' LEU . 1.8 mt -106.69 128.85 61.04 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.968 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.108 -177.321 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.452 ' HB2' HD13 ' A' ' 13' ' ' LEU . 25.0 t-80 -68.38 130.47 92.21 Favored Pre-proline 0 C--N 1.323 -0.583 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 170.284 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.513 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 72.4 Cg_exo -49.56 148.64 11.17 Favored 'Trans proline' 0 N--CA 1.467 -0.082 0 C-N-CA 122.285 1.99 . . . . 0.0 111.82 177.227 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.474 ' HB2' ' O ' ' A' ' 56' ' ' PRO . 47.5 mt-30 78.46 20.3 0.88 Allowed 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.168 0.587 . . . . 0.0 110.369 -175.751 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -94.58 122.53 60.67 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.364 174.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_exo -50.48 -38.72 54.49 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 123.342 2.695 . . . . 0.0 113.096 -175.312 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.93 ' HB2' ' HA ' ' A' ' 17' ' ' PRO . 12.3 t -62.93 -23.88 67.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.634 -176.008 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.547 ' HB2' HG21 ' A' ' 54' ' ' ILE . 0.6 OUTLIER -80.04 -46.73 16.06 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 -179.056 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.0 t -59.24 -49.78 76.53 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.462 177.115 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -59.66 -36.37 76.29 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.701 177.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.575 ' CZ3' ' HB3' ' A' ' 23' ' ' LEU . 15.7 t-105 -66.78 -40.36 88.14 Favored 'General case' 0 C--O 1.223 -0.332 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.336 -178.462 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.771 ' HA ' HE21 ' A' ' 68' ' ' GLN . 2.2 m-85 -58.92 -35.23 72.72 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 120.608 -0.437 . . . . 0.0 111.077 179.638 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -79.53 -41.61 26.93 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.088 0.471 . . . . 0.0 110.576 176.16 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.548 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 8.5 m170 -61.56 -46.98 87.6 Favored 'General case' 0 C--O 1.223 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.26 179.718 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.771 HE21 ' HA ' ' A' ' 65' ' ' PHE . 29.1 pt20 -67.02 -26.24 66.68 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-O 120.585 0.231 . . . . 0.0 110.591 -178.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -60.1 -33.49 72.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.45 0.643 . . . . 0.0 109.682 176.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 70' ' ' ARG . 19.5 ptt-85 -114.55 32.25 6.09 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.925 177.249 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.548 ' HB2' ' O ' ' A' ' 67' ' ' HIS . 9.1 ttmm -146.12 -166.65 2.52 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 -178.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.1 mp . . . . . 0 N--CA 1.47 0.562 0 N-CA-C 112.651 0.612 . . . . 0.0 112.651 -175.973 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.543 ' HA ' ' OE1' ' A' ' 32' ' ' GLN . 42.6 t . . . . . 0 N--CA 1.451 -0.382 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.451 ' SG ' ' NE2' ' A' ' 12' ' ' GLN . 8.1 t -110.83 130.84 55.46 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.108 -172.723 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 33.7 p -91.8 -59.33 2.15 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.703 -175.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.451 ' NE2' ' SG ' ' A' ' 10' ' ' CYS . 0.2 OUTLIER -80.24 161.6 25.07 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.045 0.45 . . . . 0.0 111.398 178.66 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 96.7 mt -132.45 138.91 47.79 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.266 -178.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.518 ' CE2' ' HB2' ' A' ' 16' ' ' LYS . 30.9 t80 -75.93 -49.89 16.51 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.2 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 50.3 mtt180 72.1 -24.93 0.18 Allowed 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 172.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.518 ' HB2' ' CE2' ' A' ' 14' ' ' TYR . 34.2 mmtp -71.32 149.9 94.11 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-O 120.897 0.379 . . . . 0.0 111.461 -178.383 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.521 ' HA ' ' OG ' ' A' ' 60' ' ' SER . 20.7 Cg_exo -66.98 122.66 10.02 Favored 'Trans proline' 0 C--O 1.234 0.292 0 C-N-CA 123.162 2.575 . . . . 0.0 112.274 178.527 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.917 ' HB3' HD11 ' A' ' 22' ' ' LEU . 85.6 mt -86.5 136.77 32.96 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.047 178.009 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.688 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 23.3 m -72.13 146.6 47.36 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.05 -178.729 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.525 ' HA ' HD12 ' A' ' 23' ' ' LEU . 34.9 t70 -59.35 -29.06 67.4 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 121.297 0.57 . . . . 0.0 111.113 -177.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.573 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 60.4 mttm -57.31 -45.87 83.75 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.584 179.27 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.917 HD11 ' HB3' ' A' ' 18' ' ' LEU . 4.1 pp -76.82 -27.48 55.19 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 121.036 -0.266 . . . . 0.0 111.235 174.255 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.676 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 74.6 mt -62.77 -38.63 91.39 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.781 -0.19 . . . . 0.0 111.49 -176.571 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.573 ' HG2' ' O ' ' A' ' 21' ' ' LYS . 24.4 ptt180 -59.86 -5.85 1.09 Allowed 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 120.87 0.367 . . . . 0.0 111.8 178.352 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.562 ' HD3' ' HA ' ' A' ' 22' ' ' LEU . 22.4 mtpp -106.65 -8.29 16.98 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.75 -178.333 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.864 HG22 ' HG ' ' A' ' 47' ' ' LEU . 21.4 t -80.82 86.15 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.952 179.405 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 22.4 pt -70.24 -22.83 24.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.63 -0.714 . . . . 0.0 112.868 -172.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -142.02 157.43 44.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.025 0.441 . . . . 0.0 111.348 -176.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 57.4 t -120.5 122.75 68.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.586 176.3 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.423 ' HG3' ' HB2' ' A' ' 46' ' ' HIS . 5.9 mt-10 -109.28 149.86 28.82 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 -175.567 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 55.1 tp -130.06 120.34 24.53 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-O 120.928 0.394 . . . . 0.0 110.711 179.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.543 ' OE1' ' HA ' ' A' ' 9' ' ' CYS . 8.8 tt0 -84.51 105.45 15.33 Favored 'General case' 0 N--CA 1.445 -0.71 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 170.59 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -61.41 151.76 31.56 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.836 178.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.525 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . . . -74.16 18.7 0.14 Allowed 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 113.11 0.782 . . . . 0.0 113.11 -169.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -177.93 -34.74 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.476 0.179 . . . . 0.0 110.773 -175.154 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -46.62 -67.79 1.3 Allowed Glycine 0 C--N 1.336 0.548 0 O-C-N 123.98 0.8 . . . . 0.0 114.34 -175.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -88.2 -51.71 5.62 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 69.6 m -142.55 155.62 45.03 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.599 -1.182 . . . . 0.0 108.707 175.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 6.6 p-80 -79.77 77.55 6.4 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.233 0.54 . . . . 0.0 111.526 -178.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.9 tt -168.89 125.52 0.96 Allowed 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 176.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.525 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 8.3 tt0 -91.58 117.14 29.46 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.684 0.278 . . . . 0.0 110.348 -178.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.568 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -146.33 132.72 19.62 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.902 0.382 . . . . 0.0 111.536 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.775 ' HB3' ' HG ' ' A' ' 61' ' ' LEU . 2.2 m-85 -91.58 113.6 25.91 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 172.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 62.0 t -108.77 130.18 62.04 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.94 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.656 -171.465 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.631 HD12 HD12 ' A' ' 18' ' ' LEU . 24.1 mt -92.31 118.34 30.81 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.169 0.509 . . . . 0.0 110.867 -178.612 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.423 ' HB2' ' HG3' ' A' ' 30' ' ' GLU . 61.5 t60 -96.67 97.82 9.67 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.512 -176.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.864 ' HG ' HG22 ' A' ' 26' ' ' VAL . 5.7 mp -80.47 162.14 24.54 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 174.318 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.56 -9.18 12.04 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -179.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.405 ' HB2' ' HD2' ' A' ' 50' ' ' ARG . 0.2 OUTLIER -107.72 -48.83 3.34 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.705 -0.479 . . . . 0.0 109.705 179.076 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.405 ' HD2' ' HB2' ' A' ' 49' ' ' GLN . 0.0 OUTLIER -153.25 169.53 22.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.022 -173.332 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 56.2 m -108.04 141.73 39.27 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.586 175.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 63.9 mt -118.57 140.55 41.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 176.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 63.0 m -100.52 125.14 46.83 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.535 0.683 . . . . 0.0 110.895 -172.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.635 HD13 ' HB2' ' A' ' 60' ' ' SER . 33.3 mt -127.24 147.26 32.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 114.964 -1.016 . . . . 0.0 110.919 -173.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.461 ' O ' ' HB2' ' A' ' 58' ' ' ASN . 31.9 t-80 -60.36 137.06 91.96 Favored Pre-proline 0 C--N 1.327 -0.374 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 174.312 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.568 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 4.1 Cg_endo -48.04 -62.06 0.5 Allowed 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.593 2.195 . . . . 0.0 112.184 179.221 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 25.6 mp0 -84.02 79.95 9.33 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 172.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.461 ' HB2' ' O ' ' A' ' 55' ' ' HIS . 3.1 t30 -134.63 137.28 27.23 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.656 177.661 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -46.61 -44.14 21.81 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 123.236 2.624 . . . . 0.0 112.944 -178.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.635 ' HB2' HD13 ' A' ' 54' ' ' ILE . 1.0 OUTLIER -56.13 -46.16 79.28 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.81 -178.834 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.775 ' HG ' ' HB3' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -77.61 -41.28 39.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.741 -172.703 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 9.4 t -72.47 -43.02 64.3 Favored 'General case' 0 C--O 1.239 0.536 0 CA-C-O 120.97 0.415 . . . . 0.0 111.13 -175.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -63.97 -28.29 69.72 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 175.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.676 ' CZ3' ' HB3' ' A' ' 23' ' ' LEU . 10.3 t-105 -61.31 -39.22 89.69 Favored 'General case' 0 C--O 1.218 -0.568 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.345 176.355 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -56.09 -40.08 73.1 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 121.117 -0.233 . . . . 0.0 110.682 176.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.483 ' HB3' HH21 ' A' ' 70' ' ' ARG . 44.9 mt-10 -65.55 -50.79 63.88 Favored 'General case' 0 C--O 1.24 0.557 0 CA-C-O 121.894 0.854 . . . . 0.0 110.223 174.362 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.631 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 11.5 m-70 -65.93 -50.23 65.16 Favored 'General case' 0 C--O 1.219 -0.503 0 CA-C-N 114.817 -1.083 . . . . 0.0 111.509 -173.284 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.505 ' HB3' ' CE2' ' A' ' 64' ' ' TRP . 3.9 pt20 -61.62 -32.59 72.73 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 120.899 0.381 . . . . 0.0 110.789 -177.471 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -55.5 -37.24 67.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.6 177.157 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.483 HH21 ' HB3' ' A' ' 66' ' ' GLU . 1.1 ptt180 -114.53 30.83 7.04 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.329 -0.851 . . . . 0.0 111.261 178.399 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.631 ' HB2' ' O ' ' A' ' 67' ' ' HIS . 5.8 tppt? -136.99 -157.55 0.79 Allowed 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 -176.68 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.549 HD21 ' CZ2' ' A' ' 64' ' ' TRP . 1.8 mm? . . . . . 0 N--CA 1.465 0.315 0 N-CA-C 114.116 1.154 . . . . 0.0 114.116 -176.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 44.4 m . . . . . 0 N--CA 1.451 -0.415 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 59.9 m -72.52 116.16 12.66 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.21 -174.186 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.2 p -93.62 -2.38 54.15 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-O 121.633 0.73 . . . . 0.0 109.932 173.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -134.65 157.21 47.23 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.972 -1.013 . . . . 0.0 110.103 177.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.463 HD13 ' HB2' ' A' ' 55' ' ' HIS . 96.0 mt -134.67 127.45 31.12 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 -178.172 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.415 ' CD2' ' HB3' ' A' ' 16' ' ' LYS . 10.2 t80 -69.38 -48.8 60.09 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 -178.248 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.54 ' HA ' ' OD1' ' A' ' 58' ' ' ASN . 68.0 mtm180 59.87 17.39 6.47 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.573 174.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.415 ' HB3' ' CD2' ' A' ' 14' ' ' TYR . 48.8 tttm -122.77 136.24 26.56 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.931 -174.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -53.13 127.46 25.16 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.906 2.404 . . . . 0.0 112.319 179.015 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.87 ' HB3' HD11 ' A' ' 22' ' ' LEU . 78.2 mt -85.07 139.85 31.43 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.486 -178.102 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.69 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 15.2 m -63.18 139.92 58.82 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.661 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.534 ' HA ' HD12 ' A' ' 23' ' ' LEU . 12.0 t70 -66.16 -26.72 67.56 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.797 0.332 . . . . 0.0 111.445 -175.099 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.609 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 98.3 mttt -57.84 -47.88 81.39 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.823 176.196 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.87 HD11 ' HB3' ' A' ' 18' ' ' LEU . 4.5 pp -72.96 -27.65 61.94 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.568 -0.453 . . . . 0.0 109.97 176.562 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.534 HD12 ' HA ' ' A' ' 20' ' ' ASP . 21.7 mt -60.04 -40.72 90.38 Favored 'General case' 0 C--O 1.225 -0.234 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.869 179.34 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.628 ' HB3' ' HD2' ' A' ' 71' ' ' LYS . 16.3 ptp180 -71.01 4.64 2.51 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 122.079 -0.388 . . . . 0.0 111.495 -179.29 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.406 ' HB3' HE22 ' A' ' 49' ' ' GLN . 51.5 mtmt -119.46 8.06 11.28 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.949 175.73 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.851 HG22 ' HG ' ' A' ' 47' ' ' LEU . 25.2 t -85.17 101.63 9.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 109.157 -0.682 . . . . 0.0 109.157 177.016 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 39.0 pt -81.59 -25.97 9.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -170.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 25.1 mm-40 -147.55 157.38 43.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.008 0.432 . . . . 0.0 111.121 -177.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.46 HG13 HD23 ' A' ' 45' ' ' LEU . 35.6 t -118.84 126.06 74.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 174.702 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.644 ' HG3' ' HB ' ' A' ' 44' ' ' VAL . 13.8 pt-20 -120.3 147.8 44.53 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.191 0.519 . . . . 0.0 110.524 -177.746 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 52.0 tp -114.86 128.79 56.5 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.442 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.517 ' O ' ' HA ' ' A' ' 41' ' ' GLN . 6.2 tt0 -87.01 103.58 15.49 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 107.547 -1.279 . . . . 0.0 107.547 170.373 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.515 ' HB2' ' H ' ' A' ' 37' ' ' ASP . 42.5 mt-10 -61.17 152.33 28.96 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 179.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.647 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . . . -69.27 1.82 3.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.235 -173.314 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -168.33 -36.0 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.684 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -56.24 -54.69 33.9 Favored Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 115.389 -0.823 . . . . 0.0 113.278 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.515 ' H ' ' HB2' ' A' ' 33' ' ' GLU . 19.7 m-20 -86.16 -45.93 10.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.989 0.424 . . . . 0.0 110.595 179.392 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.49 ' HB3' ' OE1' ' A' ' 32' ' ' GLN . 2.6 t -156.99 -176.03 5.75 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 -179.419 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 61.7 t60 -81.88 10.08 7.01 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.028 0.442 . . . . 0.0 111.34 -175.651 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.7 tt -136.39 136.61 39.75 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 -175.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.647 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 30.1 tt0 -93.29 120.44 33.58 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.351 176.361 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.556 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -148.11 140.38 24.26 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.081 -179.399 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -91.23 113.64 25.96 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 172.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.644 ' HB ' ' HG3' ' A' ' 30' ' ' GLU . 66.1 t -108.37 125.16 65.15 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.862 0 CA-C-O 121.141 0.496 . . . . 0.0 110.608 -173.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.729 HD12 HD12 ' A' ' 18' ' ' LEU . 61.9 mt -92.56 121.96 34.51 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.868 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -103.06 101.86 11.86 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.342 -171.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.851 ' HG ' HG22 ' A' ' 26' ' ' VAL . 5.6 mp -83.09 165.21 19.75 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 174.777 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.78 -10.2 59.43 Favored 'General case' 0 C--N 1.318 -0.773 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.953 -179.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.406 HE22 ' HB3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -126.48 -6.19 6.43 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.646 179.138 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.53 ' HD2' HD22 ' A' ' 47' ' ' LEU . 50.1 mtt180 -145.41 161.42 39.72 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 -168.181 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 12.8 m -137.17 123.24 20.33 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 168.181 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 67.5 mt -120.28 136.71 56.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 120.564 0.221 . . . . 0.0 110.447 -175.034 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 64.5 m -100.29 120.39 39.85 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.594 0.711 . . . . 0.0 110.427 -174.255 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.464 HG23 ' HB2' ' A' ' 58' ' ' ASN . 1.0 OUTLIER -120.34 141.92 38.47 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.742 -176.839 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.504 ' O ' ' HB2' ' A' ' 58' ' ' ASN . 40.2 t-80 -76.95 130.1 76.74 Favored Pre-proline 0 C--N 1.325 -0.473 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 176.502 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.556 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 45.7 Cg_exo -36.93 -48.13 1.48 Allowed 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 123.778 2.985 . . . . 0.0 114.328 -176.184 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 26.1 mm-40 -80.62 53.4 1.86 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.475 0.655 . . . . 0.0 111.169 178.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.54 ' OD1' ' HA ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -112.36 112.28 51.98 Favored Pre-proline 0 C--N 1.319 -0.76 0 CA-C-N 115.304 -0.862 . . . . 0.0 108.952 174.744 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -54.29 -24.77 35.79 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.43 2.087 . . . . 0.0 110.807 175.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.9 m -53.42 -41.62 66.21 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.043 -0.98 . . . . 0.0 111.503 173.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.453 HD23 HG21 ' A' ' 54' ' ' ILE . 0.2 OUTLIER -73.38 -40.75 64.1 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-O 121.044 0.45 . . . . 0.0 109.934 -177.246 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.9 t -69.16 -42.3 76.11 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.743 0.782 . . . . 0.0 109.666 -179.338 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -63.05 -29.04 70.5 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.732 -1.122 . . . . 0.0 110.113 177.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.507 ' CE2' ' HB3' ' A' ' 68' ' ' GLN . 16.6 t-105 -69.88 -38.01 76.24 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.36 176.631 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -54.78 -38.37 67.18 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.97 0.414 . . . . 0.0 110.438 175.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -69.43 -51.71 33.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.567 0.699 . . . . 0.0 110.518 175.073 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.731 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 10.4 m170 -69.48 -30.49 68.37 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.596 -0.729 . . . . 0.0 112.316 -172.749 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.507 ' HB3' ' CE2' ' A' ' 64' ' ' TRP . 13.2 pt20 -73.84 -30.24 62.57 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 117.99 0.359 . . . . 0.0 110.13 177.619 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -60.08 -31.4 69.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.584 176.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 10.6 ptp180 -112.22 32.66 5.38 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.654 178.181 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.731 ' HB2' ' O ' ' A' ' 67' ' ' HIS . 0.2 OUTLIER -130.61 -149.98 0.41 Allowed 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.904 -176.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.792 HD13 ' H ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.472 0.64 0 O-C-N 124.728 1.268 . . . . 0.0 114.356 -176.084 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.416 ' HA ' ' HB2' ' A' ' 38' ' ' CYS . 36.8 t . . . . . 0 N--CA 1.449 -0.51 0 N-CA-C 107.701 -1.222 . . . . 0.0 107.701 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 18.7 m -61.98 118.93 7.92 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 114.408 -1.269 . . . . 0.0 111.974 -176.224 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 18.7 p -80.28 -44.22 19.97 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.442 170.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -79.44 153.89 29.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.314 172.209 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 91.7 mt -142.74 143.02 32.06 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.225 -178.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.662 ' CE2' ' HB2' ' A' ' 16' ' ' LYS . 54.6 t80 -73.11 -56.44 5.11 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.731 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 28.5 ttp180 72.35 -16.98 0.4 Allowed 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 115.556 -0.747 . . . . 0.0 112.879 172.155 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.662 ' HB2' ' CE2' ' A' ' 14' ' ' TYR . 65.5 mttm -84.27 145.57 45.96 Favored Pre-proline 0 C--N 1.322 -0.623 0 O-C-N 121.84 -0.537 . . . . 0.0 110.079 175.749 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.681 ' HA ' ' HB2' ' A' ' 60' ' ' SER . 32.5 Cg_exo -59.39 135.71 66.99 Favored 'Trans proline' 0 C--O 1.237 0.449 0 C-N-CA 122.558 2.172 . . . . 0.0 112.043 177.529 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.699 HD12 HD12 ' A' ' 45' ' ' LEU . 80.6 mt -88.94 152.34 21.77 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.735 -179.133 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 25.0 m -75.74 146.29 40.18 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.88 -179.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.413 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 30.2 t70 -58.52 -31.08 67.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.099 -178.381 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 51.8 mttp -55.21 -46.41 75.92 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.487 177.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.402 ' HG ' ' H ' ' A' ' 22' ' ' LEU . 0.3 OUTLIER -73.24 -35.7 66.29 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.893 179.406 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.551 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 76.5 mt -63.99 -44.73 91.81 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.1 -175.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.453 ' HB3' ' HD2' ' A' ' 71' ' ' LYS . 17.4 ptm180 -69.81 4.17 2.14 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 121.371 0.605 . . . . 0.0 111.275 177.422 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.6 mtpt -112.06 -2.68 14.96 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.264 179.148 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.74 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 55.8 t -74.13 152.3 7.06 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.672 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.209 175.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 12.0 pt -117.37 -38.67 2.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.134 177.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 58.5 mm-40 -148.37 157.17 43.32 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 120.972 0.415 . . . . 0.0 110.978 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.431 HG13 HD23 ' A' ' 45' ' ' LEU . 43.3 t -108.66 121.28 61.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 172.674 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.739 ' HG3' ' HB ' ' A' ' 44' ' ' VAL . 10.7 pt-20 -106.26 113.02 26.3 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-O 121.553 0.692 . . . . 0.0 110.367 -177.608 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 47.4 tp -82.21 105.55 13.39 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.657 -179.175 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -74.61 104.28 5.23 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.132 172.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -77.49 158.52 29.9 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.924 0.392 . . . . 0.0 111.494 -178.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.623 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . . . -80.23 3.0 22.22 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.481 -177.598 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -146.56 -45.1 0.19 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.066 177.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -59.25 -63.8 4.84 Favored Glycine 0 CA--C 1.519 0.33 0 C-N-CA 121.19 -0.529 . . . . 0.0 113.507 -178.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -85.78 -49.78 7.66 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.271 0.557 . . . . 0.0 110.935 -176.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.416 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 42.7 t -135.42 -171.6 2.87 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 -175.331 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 12.3 p-80 -104.59 16.93 25.09 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.559 0.695 . . . . 0.0 109.992 174.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.5 tt -142.75 130.78 21.81 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.116 -0.947 . . . . 0.0 108.495 178.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.623 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 60.5 tt0 -83.29 129.81 35.03 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.686 0.279 . . . . 0.0 110.82 -177.336 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.564 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -148.0 146.68 29.02 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.791 179.452 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.779 ' HB3' ' HG ' ' A' ' 61' ' ' LEU . 22.7 m-85 -99.33 101.14 12.33 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 174.626 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.739 ' HB ' ' HG3' ' A' ' 30' ' ' GLU . 23.2 t -98.96 131.52 46.03 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.567 -173.664 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.699 HD12 HD12 ' A' ' 18' ' ' LEU . 66.7 mt -100.49 123.73 45.08 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.39 -178.616 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -104.43 108.54 20.01 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.594 -175.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.74 ' HA ' ' HA ' ' A' ' 26' ' ' VAL . 6.2 mp -89.31 166.61 13.65 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 176.272 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.12 -7.45 46.67 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.033 0.383 . . . . 0.0 112.033 -174.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.423 ' NE2' ' HB3' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -138.57 8.69 2.62 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 113.021 0.749 . . . . 0.0 113.021 177.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.432 ' HG2' ' HB2' ' A' ' 47' ' ' LEU . 10.8 ptm180 -168.35 168.28 11.44 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 120.511 -0.476 . . . . 0.0 111.873 -178.095 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.5 m -132.3 139.86 48.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.807 177.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 72.2 mt -132.45 132.78 60.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 179.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 92.4 m -101.36 121.05 41.22 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.612 0.72 . . . . 0.0 110.924 -175.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.401 ' HB ' ' O ' ' A' ' 43' ' ' PHE . 0.9 OUTLIER -109.14 140.63 27.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.395 -0.82 . . . . 0.0 111.17 -177.633 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.466 ' O ' ' HB2' ' A' ' 58' ' ' ASN . 26.8 t-80 -71.39 126.3 91.79 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.816 173.666 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.564 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 50.0 Cg_exo -56.42 161.75 9.0 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.765 2.31 . . . . 0.0 111.351 177.567 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.466 ' HB2' ' O ' ' A' ' 56' ' ' PRO . 2.4 mp0 66.02 58.98 0.72 Allowed 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 -170.416 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.466 ' HB2' ' O ' ' A' ' 55' ' ' HIS . 13.1 t-20 -141.39 128.62 11.74 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-N 114.527 -1.215 . . . . 0.0 110.567 -174.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 58' ' ' ASN . 39.6 Cg_exo -56.92 -34.58 97.48 Favored 'Trans proline' 0 N--CA 1.463 -0.297 0 C-N-CA 122.885 2.39 . . . . 0.0 112.86 -178.737 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.681 ' HB2' ' HA ' ' A' ' 17' ' ' PRO . 20.7 t -65.33 -37.82 88.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.879 -0.146 . . . . 0.0 111.137 -175.332 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.779 ' HG ' ' HB3' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -79.53 -44.8 20.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.625 0.25 . . . . 0.0 110.478 -177.573 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.1 t -60.21 -50.63 72.88 Favored 'General case' 0 C--O 1.243 0.713 0 CA-C-O 121.401 0.619 . . . . 0.0 110.349 179.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -64.14 -28.95 70.11 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.038 177.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.551 ' CZ3' ' HB3' ' A' ' 23' ' ' LEU . 26.4 t-105 -67.89 -37.06 81.29 Favored 'General case' 0 C--O 1.219 -0.538 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.693 179.357 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.631 ' HA ' HE21 ' A' ' 68' ' ' GLN . 2.7 m-85 -55.48 -46.57 76.85 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.924 0.392 . . . . 0.0 110.217 176.218 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -64.82 -48.62 73.72 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-O 121.72 0.772 . . . . 0.0 110.085 175.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.484 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 40.2 m170 -63.92 -43.81 94.81 Favored 'General case' 0 C--O 1.215 -0.743 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.959 -175.129 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.631 HE21 ' HA ' ' A' ' 65' ' ' PHE . 30.3 pt20 -62.73 -35.28 79.25 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 117.648 0.204 . . . . 0.0 110.972 -175.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -53.06 -42.93 66.28 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-O 121.309 0.576 . . . . 0.0 109.52 173.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 70' ' ' ARG . 1.5 ptp180 -114.89 26.22 10.33 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 -176.491 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.484 ' HB2' ' O ' ' A' ' 67' ' ' HIS . 14.9 tppt? -104.22 -99.03 0.31 Allowed 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 120.297 -0.561 . . . . 0.0 111.539 -176.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.731 HD13 ' H ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.332 -0.163 0 CA-C-O 120.743 0.306 . . . . 0.0 110.513 170.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.507 ' HA ' ' CB ' ' A' ' 38' ' ' CYS . 45.5 t . . . . . 0 CA--C 1.516 -0.342 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -115.75 119.43 36.03 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.78 -170.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 20.9 p -90.62 6.17 44.94 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.896 0.379 . . . . 0.0 111.743 -178.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -155.57 159.36 39.62 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.044 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.451 HD13 ' HA ' ' A' ' 55' ' ' HIS . 85.2 mt -124.8 142.25 51.55 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 178.742 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.453 ' CE2' ' HB3' ' A' ' 16' ' ' LYS . 25.9 t80 -66.46 -33.33 75.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.815 0.34 . . . . 0.0 110.278 -177.567 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 62.7 mtm180 59.19 27.21 16.15 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.899 173.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.453 ' HB3' ' CE2' ' A' ' 14' ' ' TYR . 61.0 tttp -146.47 136.45 11.94 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.823 -179.05 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -60.25 144.39 99.5 Favored 'Trans proline' 0 C--O 1.233 0.241 0 C-N-CA 122.529 2.153 . . . . 0.0 111.682 176.066 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.595 ' HB3' HD11 ' A' ' 22' ' ' LEU . 84.8 mt -94.38 159.99 14.87 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.907 -176.475 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.624 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 18.1 m -81.18 137.91 35.88 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.466 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.56 ' HA ' HD12 ' A' ' 23' ' ' LEU . 21.1 t70 -62.43 -29.23 70.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.93 0.395 . . . . 0.0 111.938 -173.523 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.523 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 91.8 mttt -63.51 -46.29 86.73 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.824 -179.221 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.624 ' HG ' ' O ' ' A' ' 19' ' ' SER . 4.4 pp -73.94 -26.73 60.65 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 176.378 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.56 HD12 ' HA ' ' A' ' 20' ' ' ASP . 18.2 mt -60.54 -46.77 88.94 Favored 'General case' 0 C--O 1.221 -0.443 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.599 179.076 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.523 ' HG2' ' O ' ' A' ' 21' ' ' LYS . 5.8 ptm180 -59.74 -7.81 1.77 Allowed 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 -177.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.4 mtmt -98.44 -7.02 29.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.828 0.347 . . . . 0.0 110.76 178.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.88 HG22 ' HG ' ' A' ' 47' ' ' LEU . 46.5 t -74.3 120.74 24.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 -178.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 26.8 pt -100.54 -21.55 5.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -169.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.518 ' HB2' ' HB3' ' A' ' 46' ' ' HIS . 82.5 mm-40 -144.47 155.96 43.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.007 0.432 . . . . 0.0 111.279 -178.097 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.5 t -127.1 118.11 49.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 175.29 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -125.7 144.3 50.67 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.225 0.536 . . . . 0.0 111.434 -174.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 57.4 tp -103.56 127.33 51.0 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.017 -177.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.549 ' NE2' ' HB3' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -97.42 119.08 35.3 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 173.244 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -78.98 162.23 26.1 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.946 0.403 . . . . 0.0 111.877 -170.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.527 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . . . -78.49 6.28 8.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.874 -174.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.443 ' HA ' ' HA ' ' A' ' 39' ' ' HIS . 27.5 t70 -174.08 139.04 0.62 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.192 -178.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 137.26 -111.84 0.87 Allowed Glycine 0 N--CA 1.445 -0.728 0 N-CA-C 111.468 -0.653 . . . . 0.0 111.468 -177.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -63.94 -45.79 87.63 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 175.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.549 ' HB3' ' NE2' ' A' ' 32' ' ' GLN . 0.5 OUTLIER -136.15 126.97 27.44 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.662 -1.154 . . . . 0.0 108.388 178.517 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.443 ' HA ' ' HA ' ' A' ' 35' ' ' ASP . 8.8 p-80 -90.13 73.56 7.22 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 112.864 0.69 . . . . 0.0 112.864 -172.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.429 HD22 ' O ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -175.01 139.14 0.47 Allowed 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.353 171.35 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.527 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 8.6 tt0 -79.81 127.55 32.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.732 0.301 . . . . 0.0 110.828 -173.376 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.431 ' HB3' ' HB3' ' A' ' 32' ' ' GLN . . . -148.27 138.97 22.94 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.145 -179.595 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.453 ' HB2' HG22 ' A' ' 54' ' ' ILE . 19.0 m-85 -101.92 111.43 23.69 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 173.425 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 14.5 t -105.09 125.55 60.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-O 121.344 0.592 . . . . 0.0 111.263 -171.114 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.49 HD12 HD12 ' A' ' 18' ' ' LEU . 73.3 mt -95.94 124.1 39.82 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.123 179.505 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.518 ' HB3' ' HB2' ' A' ' 28' ' ' GLN . 3.5 t-160 -99.92 99.2 9.94 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.782 -171.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.88 ' HG ' HG22 ' A' ' 26' ' ' VAL . 6.3 mp -83.17 170.21 14.98 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 175.135 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.39 -20.23 66.01 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -172.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.59 11.26 3.74 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.85 -175.488 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.9 ptp180 -171.54 166.32 6.8 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 120.641 0.258 . . . . 0.0 111.122 -177.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.7 m -132.08 138.66 48.23 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 175.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 66.2 mt -121.87 137.44 55.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.355 -0.384 . . . . 0.0 109.99 -178.306 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 72.4 m -101.4 121.51 42.05 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.5 0.666 . . . . 0.0 110.521 -177.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.453 HG22 ' HB2' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -109.51 147.23 14.1 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.866 0 CA-C-N 114.901 -1.045 . . . . 0.0 110.149 -176.742 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.66 ' O ' ' HB2' ' A' ' 58' ' ' ASN . 22.1 t-80 -65.41 131.46 94.93 Favored Pre-proline 0 C--N 1.326 -0.435 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 175.5 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -53.09 141.17 58.68 Favored 'Trans proline' 0 CA--C 1.526 0.117 0 C-N-CA 122.961 2.44 . . . . 0.0 112.817 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 70.43 12.63 7.48 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.85 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.66 ' HB2' ' O ' ' A' ' 55' ' ' HIS . 0.7 OUTLIER -71.28 139.59 84.64 Favored Pre-proline 0 C--N 1.329 -0.284 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 175.692 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -51.46 -40.3 63.03 Favored 'Trans proline' 0 C--O 1.224 -0.214 0 C-N-CA 123.227 2.618 . . . . 0.0 112.644 -178.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 12.3 t -62.66 -26.63 68.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.491 -177.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.413 HD22 HD21 ' A' ' 45' ' ' LEU . 0.4 OUTLIER -80.05 -46.76 15.99 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 34.1 t -64.09 -50.3 68.85 Favored 'General case' 0 C--O 1.242 0.691 0 CA-C-O 121.409 0.623 . . . . 0.0 110.76 179.043 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -60.73 -28.75 68.91 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.302 178.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.619 ' CE2' ' HB3' ' A' ' 68' ' ' GLN . 26.7 t-105 -67.27 -37.46 83.49 Favored 'General case' 0 N--CA 1.447 -0.62 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.885 179.128 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.722 ' HA ' HE21 ' A' ' 68' ' ' GLN . 29.9 m-85 -53.66 -43.65 68.99 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 121.064 0.459 . . . . 0.0 110.005 176.195 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.496 ' O ' ' HB3' ' A' ' 69' ' ' GLU . 54.5 mt-10 -67.5 -49.45 63.44 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-O 121.826 0.822 . . . . 0.0 110.659 177.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.42 ' HB3' ' CE ' ' A' ' 71' ' ' LYS . 13.3 m170 -65.33 -49.2 70.33 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.196 -0.911 . . . . 0.0 111.712 -172.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.722 HE21 ' HA ' ' A' ' 65' ' ' PHE . 29.5 pt20 -61.61 -28.52 69.42 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.835 0.35 . . . . 0.0 110.156 -179.628 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.496 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 38.9 tt0 -57.84 -36.75 72.73 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.652 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 22.0 ptt180 -113.74 15.97 18.63 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 120.073 -0.651 . . . . 0.0 112.258 179.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.534 ' HE3' ' OD1' ' A' ' 20' ' ' ASP . 63.0 mttm -118.85 -160.51 0.8 Allowed 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 110.1 -0.334 . . . . 0.0 110.1 176.19 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.458 HD21 ' O ' ' A' ' 26' ' ' VAL . 7.5 mp . . . . . 0 C--N 1.345 0.382 0 O-C-N 123.557 0.536 . . . . 0.0 111.502 -175.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 53.8 t . . . . . 0 N--CA 1.449 -0.516 0 N-CA-C 107.573 -1.269 . . . . 0.0 107.573 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 79.8 m -76.97 117.58 18.7 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 114.868 -1.06 . . . . 0.0 111.552 -171.061 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -92.67 -10.35 37.56 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.572 170.032 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -112.48 149.39 32.68 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.945 -1.025 . . . . 0.0 110.104 174.425 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 96.2 mt -136.24 135.48 39.08 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.716 0.293 . . . . 0.0 110.541 -176.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.464 ' CE2' ' HB2' ' A' ' 16' ' ' LYS . 36.5 t80 -72.42 -46.24 56.01 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.555 -179.385 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 47.0 mtp180 71.05 -25.51 0.17 Allowed 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 113.334 0.864 . . . . 0.0 113.334 173.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.464 ' HB2' ' CE2' ' A' ' 14' ' ' TYR . 57.6 mttp -85.47 155.22 59.7 Favored Pre-proline 0 C--N 1.322 -0.63 0 O-C-N 122.185 -0.322 . . . . 0.0 110.52 -179.689 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_exo -62.08 143.19 94.53 Favored 'Trans proline' 0 C--O 1.233 0.256 0 C-N-CA 122.558 2.172 . . . . 0.0 111.195 172.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.606 HD21 HG21 ' A' ' 52' ' ' ILE . 69.2 mt -91.11 138.46 31.58 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 120.882 0.372 . . . . 0.0 110.873 -176.238 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.553 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 25.0 m -56.24 128.32 35.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.546 177.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -61.15 -28.77 69.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.207 -0.451 . . . . 0.0 112.094 -172.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.496 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 45.5 mmtm -68.08 -44.16 76.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.5 0.19 . . . . 0.0 111.033 179.657 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.553 ' HG ' ' O ' ' A' ' 19' ' ' SER . 4.5 pp -75.73 -28.62 58.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.221 0.534 . . . . 0.0 110.161 174.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.654 ' HG ' ' CZ3' ' A' ' 64' ' ' TRP . 15.9 tp -66.42 -31.5 72.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.452 -173.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.496 ' HG2' ' O ' ' A' ' 21' ' ' LYS . 4.0 ptm180 -68.04 -9.01 42.54 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.674 0.273 . . . . 0.0 111.61 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 47.6 mtmt -104.76 9.19 35.06 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.859 0.362 . . . . 0.0 110.966 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.631 HG22 ' HG ' ' A' ' 47' ' ' LEU . 51.7 t -79.5 98.15 2.94 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.57 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 171.138 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 19.9 pt -83.5 -18.69 10.09 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.919 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.865 -169.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 37.5 mm-40 -154.16 157.63 39.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.296 -179.11 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 4.0 p -119.2 126.18 75.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 174.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -112.71 127.74 56.21 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.293 0.568 . . . . 0.0 110.82 -175.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 41.1 tp -91.44 106.68 18.67 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.285 -177.383 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.526 ' O ' ' HA ' ' A' ' 41' ' ' GLN . 49.1 tt0 -79.84 107.82 12.92 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 171.652 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -76.67 158.77 30.78 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.914 0.388 . . . . 0.0 111.353 -176.33 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.661 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . . . -75.72 -6.54 51.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.915 -175.313 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -168.45 26.5 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.595 0.712 . . . . 0.0 109.494 -178.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -93.47 -96.94 1.5 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.669 -0.777 . . . . 0.0 111.636 -179.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -78.21 -15.15 59.07 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.389 0.614 . . . . 0.0 109.921 175.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.1 t -156.94 170.44 22.51 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 176.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.487 ' O ' ' HB2' ' A' ' 40' ' ' LEU . 28.2 t60 -105.03 76.84 1.27 Allowed 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.094 -178.353 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.487 ' HB2' ' O ' ' A' ' 39' ' ' HIS . 5.6 tt 175.59 121.98 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 175.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.661 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 34.5 tt0 -86.12 123.96 32.0 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.357 0.599 . . . . 0.0 111.757 -176.184 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.59 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -148.45 134.7 19.4 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.431 177.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.572 ' O ' ' HB ' ' A' ' 54' ' ' ILE . 13.9 m-85 -89.86 99.99 12.89 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 172.336 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 25.1 t -102.05 136.3 34.8 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.98 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.038 -172.183 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.497 HD12 HD12 ' A' ' 18' ' ' LEU . 53.0 mt -99.06 125.47 44.57 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.173 0.511 . . . . 0.0 110.934 -175.677 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 19.2 t-80 -98.08 99.9 11.19 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.696 -172.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.631 ' HG ' HG22 ' A' ' 26' ' ' VAL . 5.9 mp -89.1 162.48 15.95 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.057 177.172 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.56 15.57 0.1 Allowed 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.116 -0.493 . . . . 0.0 112.11 -178.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.447 ' H ' ' C ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -133.27 -51.19 0.88 Allowed 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 179.281 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -163.6 167.19 21.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.234 -178.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.4 m -98.32 144.46 27.7 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.178 0.513 . . . . 0.0 111.737 -176.042 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.606 HG21 HD21 ' A' ' 18' ' ' LEU . 68.4 mt -111.45 135.38 50.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.148 175.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 30.7 m -100.39 121.8 42.1 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.239 0.543 . . . . 0.0 110.823 -169.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.572 ' HB ' ' O ' ' A' ' 43' ' ' PHE . 39.6 mt -124.34 142.76 40.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.604 -0.726 . . . . 0.0 111.182 -174.557 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.618 ' O ' ' HB2' ' A' ' 58' ' ' ASN . 42.1 t-80 -70.65 134.61 86.21 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.474 176.594 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.59 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 1.1 Cg_endo -46.16 -48.56 12.81 Favored 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 122.999 2.466 . . . . 0.0 112.702 -179.34 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -84.13 82.0 8.56 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 173.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.618 ' HB2' ' O ' ' A' ' 55' ' ' HIS . 0.9 OUTLIER -148.5 122.96 4.88 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-N 115.301 -0.863 . . . . 0.0 108.872 177.25 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -54.37 -29.29 57.63 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.74 2.293 . . . . 0.0 112.225 -173.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.4 p -60.03 -33.62 72.27 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.475 -0.784 . . . . 0.0 112.071 -178.462 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.509 ' HG ' ' HB3' ' A' ' 43' ' ' PHE . 0.3 OUTLIER -79.76 -47.17 15.69 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 121.001 -0.28 . . . . 0.0 110.256 -176.337 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.514 ' HA ' ' CD2' ' A' ' 65' ' ' PHE . 47.0 t -60.06 -46.53 89.23 Favored 'General case' 0 C--O 1.24 0.571 0 CA-C-O 121.268 0.556 . . . . 0.0 110.261 177.196 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -63.59 -28.67 70.09 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.256 177.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.654 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 30.6 t-105 -69.33 -34.01 73.99 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.746 177.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.603 ' HA ' HE21 ' A' ' 68' ' ' GLN . 21.0 m-85 -53.32 -51.31 62.81 Favored 'General case' 0 C--O 1.238 0.483 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 175.223 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -63.97 -47.14 81.57 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.346 178.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 33.7 m170 -68.6 -43.29 76.75 Favored 'General case' 0 C--O 1.221 -0.405 0 CA-C-N 115.434 -0.803 . . . . 0.0 112.477 -173.316 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.603 HE21 ' HA ' ' A' ' 65' ' ' PHE . 28.7 pt20 -65.03 -27.42 68.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 117.882 0.31 . . . . 0.0 110.592 -176.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -63.76 -40.57 97.02 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.145 175.368 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 34.0 ptt180 -113.47 33.4 5.16 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 116.344 -0.389 . . . . 0.0 112.023 -178.144 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.519 ' HB3' HD23 ' A' ' 72' ' ' LEU . 12.2 ttmm -141.04 -167.86 2.48 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 174.281 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.519 HD23 ' HB3' ' A' ' 71' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--N 1.346 0.453 0 C-N-CA 124.114 0.966 . . . . 0.0 112.244 -173.432 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.628 ' HA ' ' NE2' ' A' ' 32' ' ' GLN . 49.3 t . . . . . 0 N--CA 1.445 -0.698 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 76.1 m -79.67 117.25 20.42 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.813 -177.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.1 p -94.63 2.05 55.6 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.305 0.574 . . . . 0.0 110.182 173.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.407 HE21 ' H ' ' A' ' 12' ' ' GLN . 0.2 OUTLIER -132.95 145.61 51.04 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.426 177.534 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 98.2 mt -122.1 142.13 50.69 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.535 -177.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.433 ' CE2' ' HB3' ' A' ' 16' ' ' LYS . 12.3 t80 -75.08 -40.42 60.12 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.743 -177.549 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 60.66 23.54 13.36 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 175.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.466 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 85.3 tttt -136.97 133.4 18.64 Favored Pre-proline 0 C--N 1.319 -0.739 0 CA-C-O 120.594 0.235 . . . . 0.0 110.53 -177.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.771 ' HA ' ' HB3' ' A' ' 60' ' ' SER . 33.7 Cg_exo -62.17 130.02 29.11 Favored 'Trans proline' 0 N--CA 1.464 -0.242 0 C-N-CA 122.737 2.292 . . . . 0.0 111.838 176.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.719 ' HB3' HD11 ' A' ' 22' ' ' LEU . 90.4 mt -84.34 160.96 20.58 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.821 -178.078 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.67 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 22.3 m -70.12 135.18 48.93 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.614 177.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.533 ' HA ' HD12 ' A' ' 23' ' ' LEU . 22.7 t70 -60.28 -32.52 71.27 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.963 0.411 . . . . 0.0 111.037 -178.535 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.492 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 36.7 mmtm -59.13 -45.69 90.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.336 177.227 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.719 HD11 ' HB3' ' A' ' 18' ' ' LEU . 4.2 pp -74.86 -26.57 59.77 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.194 177.102 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.554 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 58.4 mt -62.66 -46.11 89.69 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.325 179.74 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.495 ' HB3' ' HD3' ' A' ' 71' ' ' LYS . 26.0 ptt180 -62.69 2.89 0.25 Allowed 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 179.19 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.565 ' HD3' ' HA ' ' A' ' 22' ' ' LEU . 24.2 mtpp -102.5 -17.41 15.78 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 122.747 0.419 . . . . 0.0 110.054 176.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 43.9 t -69.74 102.19 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.07 -174.314 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 33.9 pt -76.5 -26.09 16.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.208 -171.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 -146.14 155.33 42.66 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.015 0.436 . . . . 0.0 111.02 -178.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 40.6 t -120.18 115.43 47.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 172.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -105.26 113.83 27.64 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-O 121.557 0.694 . . . . 0.0 110.417 -175.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 41.4 tp -80.21 109.82 15.05 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.585 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.628 ' NE2' ' HA ' ' A' ' 9' ' ' CYS . 42.4 tt0 -72.12 103.88 3.44 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 171.552 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -74.28 152.05 39.75 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.941 -179.399 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.476 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . . . -73.94 6.65 3.16 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 -173.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -164.65 -28.9 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.076 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -63.87 -55.17 26.14 Favored Glycine 0 C--N 1.331 0.256 0 CA-C-N 115.969 -0.559 . . . . 0.0 113.038 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -91.29 -39.05 12.27 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.36 0.6 . . . . 0.0 109.995 -177.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 35.3 t -168.84 172.93 7.42 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 9.8 t60 -88.25 76.87 8.34 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 118.957 0.799 . . . . 0.0 109.878 179.193 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.611 ' HB3' ' NE2' ' A' ' 32' ' ' GLN . 1.2 tm? -179.79 135.37 0.11 Allowed 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 106.881 -1.526 . . . . 0.0 106.881 -176.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.476 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 41.8 tt0 -107.07 122.48 46.55 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.399 -0.521 . . . . 0.0 110.975 -178.252 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.574 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -153.39 151.14 29.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.002 0.429 . . . . 0.0 111.238 179.336 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.905 ' HB3' ' HG ' ' A' ' 61' ' ' LEU . 1.3 m-85 -102.3 105.12 15.7 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 173.019 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.432 HG13 ' O ' ' A' ' 52' ' ' ILE . 91.4 t -104.29 131.15 53.82 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.285 -171.457 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.474 HD12 HD12 ' A' ' 18' ' ' LEU . 67.7 mt -91.86 126.18 36.84 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.469 -178.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 11.5 t60 -107.75 109.49 21.08 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.923 -173.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 5.5 mp -98.54 165.98 11.57 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 174.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.46 -11.75 58.61 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.803 0.335 . . . . 0.0 111.684 -176.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.401 ' HB2' ' HG3' ' A' ' 50' ' ' ARG . 3.2 mp0 -102.17 -47.14 4.62 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.971 0.415 . . . . 0.0 110.073 179.376 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.482 HH12 HD11 ' A' ' 52' ' ' ILE . 0.2 OUTLIER -163.79 173.21 13.08 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.02 -174.585 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 48.4 m -113.44 158.49 20.6 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.08 -178.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.482 HD11 HH12 ' A' ' 50' ' ' ARG . 62.5 mt -126.92 142.17 44.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.422 176.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 31.4 m -101.1 121.26 41.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.14 0.495 . . . . 0.0 110.673 -171.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.425 ' HB ' ' O ' ' A' ' 43' ' ' PHE . 37.5 mt -127.52 142.56 43.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.396 -175.193 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.532 ' O ' ' HB2' ' A' ' 58' ' ' ASN . 49.0 t-80 -63.22 130.81 94.48 Favored Pre-proline 0 C--N 1.33 -0.243 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 173.59 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.574 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 95.4 Cg_exo -44.87 -55.37 3.41 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 123.055 2.503 . . . . 0.0 112.867 -177.305 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 89.6 mm-40 -85.84 80.59 8.87 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.314 0.578 . . . . 0.0 109.958 174.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.532 ' HB2' ' O ' ' A' ' 55' ' ' HIS . 2.0 t30 -136.05 134.38 20.29 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.068 175.46 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo -58.42 -6.09 2.81 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 123.423 2.748 . . . . 0.0 112.996 -177.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.771 ' HB3' ' HA ' ' A' ' 17' ' ' PRO . 13.3 p -85.72 -43.71 13.14 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.852 178.054 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.905 ' HG ' ' HB3' ' A' ' 43' ' ' PHE . 0.2 OUTLIER -80.1 -41.44 25.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.009 0.433 . . . . 0.0 110.695 -174.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 12.2 m -70.59 -47.55 59.65 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.607 0.718 . . . . 0.0 110.433 -176.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -59.52 -28.6 67.21 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.111 -0.949 . . . . 0.0 109.218 174.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.554 ' CZ3' ' HB3' ' A' ' 23' ' ' LEU . 9.2 t-105 -66.08 -40.18 90.62 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.605 177.5 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -53.13 -39.62 63.63 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.532 0.206 . . . . 0.0 111.007 178.349 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -75.89 -46.33 30.66 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.329 0.585 . . . . 0.0 110.769 177.116 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 11.1 m170 -64.19 -41.89 96.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.702 -177.072 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.548 ' HB3' ' CE2' ' A' ' 64' ' ' TRP . 4.3 pt20 -71.1 -24.84 62.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.648 0.261 . . . . 0.0 110.618 -179.166 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -61.45 -30.49 70.62 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.641 176.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 14.5 ptt180 -113.49 14.9 19.13 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 116.141 -0.482 . . . . 0.0 112.023 179.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.495 ' HD3' ' HB3' ' A' ' 24' ' ' ARG . 62.1 mttm -127.62 -159.6 0.95 Allowed 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 172.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.8 mp . . . . . 0 C--N 1.346 0.416 0 CA-C-O 121.015 0.436 . . . . 0.0 111.87 -178.876 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 15.3 t . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 122.009 0.909 . . . . 0.0 108.632 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 15.8 t -91.42 138.23 31.74 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.33 -1.304 . . . . 0.0 110.402 -178.118 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.6 p -117.76 -32.75 4.73 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 177.514 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -87.77 98.5 11.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.709 0.766 . . . . 0.0 111.236 177.442 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.6 HD23 ' SG ' ' A' ' 53' ' ' CYS . 15.3 mt -86.12 141.89 29.07 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.789 -175.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.458 ' CE2' ' HB2' ' A' ' 16' ' ' LYS . 50.1 t80 -68.87 -21.54 64.26 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.629 -174.675 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 27.2 ptt180 45.39 31.78 0.92 Allowed 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 113.635 0.976 . . . . 0.0 113.635 174.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.458 ' HB2' ' CE2' ' A' ' 14' ' ' TYR . 59.7 mttp -142.85 149.62 50.39 Favored Pre-proline 0 C--N 1.328 -0.343 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 176.766 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.514 ' HA ' ' HB2' ' A' ' 60' ' ' SER . 9.9 Cg_exo -71.94 136.83 28.23 Favored 'Trans proline' 0 C--O 1.234 0.305 0 C-N-CA 122.97 2.447 . . . . 0.0 111.817 176.274 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.803 ' HB3' HD11 ' A' ' 22' ' ' LEU . 68.5 mt -90.08 162.22 15.43 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.761 -178.081 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.542 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 46.2 m -93.8 145.09 24.85 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.073 -178.191 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.497 ' OD1' ' HE3' ' A' ' 71' ' ' LYS . 20.8 t70 -59.83 -36.93 77.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.727 -174.619 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.589 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 60.0 mttp -60.01 -45.8 91.57 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.356 -179.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.803 HD11 ' HB3' ' A' ' 18' ' ' LEU . 4.4 pp -74.39 -27.96 60.88 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.457 -0.497 . . . . 0.0 110.576 176.582 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.49 ' HA ' HG23 ' A' ' 26' ' ' VAL . 67.7 mt -66.32 -37.9 86.46 Favored 'General case' 0 C--O 1.225 -0.237 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.312 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.696 ' HB3' ' HD3' ' A' ' 71' ' ' LYS . 10.9 ptt180 -67.04 4.19 0.94 Allowed 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 121.114 0.483 . . . . 0.0 111.676 -179.041 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.51 ' HE2' ' HA ' ' A' ' 22' ' ' LEU . 34.6 mtmt -117.41 2.15 12.43 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.318 177.8 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.597 HG22 ' HG ' ' A' ' 47' ' ' LEU . 61.8 t -84.08 95.5 3.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 178.679 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.41 HG13 ' HG2' ' A' ' 28' ' ' GLN . 36.9 pt -77.26 -19.92 14.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.152 -170.104 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.742 ' HB2' ' HB3' ' A' ' 46' ' ' HIS . 24.4 mm-40 -134.33 135.81 43.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.0 0.429 . . . . 0.0 111.563 -178.145 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 42.5 t -116.65 115.17 48.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 172.149 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -127.3 141.62 51.66 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.494 0.664 . . . . 0.0 111.992 -173.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 53.8 tp -94.88 125.74 39.75 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.602 -179.349 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.422 ' HB3' ' HB3' ' A' ' 42' ' ' ALA . 42.8 tt0 -90.87 113.41 25.59 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.314 173.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -79.65 138.91 37.53 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.955 -175.091 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.671 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . . . -75.37 -4.48 39.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.489 -178.463 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -133.9 -15.51 2.33 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.853 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -75.98 -87.9 0.29 Allowed Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.827 -176.375 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -96.7 2.33 51.95 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 122.743 -0.269 . . . . 0.0 111.44 -177.205 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.7 t -159.17 178.87 9.55 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 -175.246 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 11.3 p-80 -108.01 13.21 26.3 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.078 0.466 . . . . 0.0 110.37 177.03 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -135.84 131.37 35.27 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 -176.214 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.671 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 36.1 tt0 -86.69 125.98 34.24 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.596 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -143.54 161.97 37.09 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.122 0.487 . . . . 0.0 111.04 -178.111 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.532 ' CB ' ' HG ' ' A' ' 61' ' ' LEU . 59.7 m-85 -118.22 105.92 12.29 Favored 'General case' 0 C--N 1.314 -0.949 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 173.761 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 26.0 t -102.87 129.37 54.64 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.969 0 CA-C-O 121.311 0.577 . . . . 0.0 110.698 -172.535 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.555 HD12 HD12 ' A' ' 18' ' ' LEU . 72.8 mt -101.78 121.22 41.67 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.915 -179.26 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.742 ' HB3' ' HB2' ' A' ' 28' ' ' GLN . 64.7 t60 -108.98 110.07 21.27 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.282 -170.641 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.597 ' HG ' HG22 ' A' ' 26' ' ' VAL . 4.6 mp -93.87 166.69 12.06 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.19 177.597 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -77.48 -5.19 49.08 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.184 0.516 . . . . 0.0 110.838 -176.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -121.96 -11.1 8.56 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.88 -177.481 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -175.36 177.98 1.75 Allowed 'General case' 0 N--CA 1.463 0.178 0 C-N-CA 121.204 -0.199 . . . . 0.0 110.9 -170.34 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 17.9 m -140.01 136.95 34.24 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 177.397 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.407 HG21 HD21 ' A' ' 18' ' ' LEU . 64.3 mt -116.97 138.79 46.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 179.485 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.6 ' SG ' HD23 ' A' ' 13' ' ' LEU . 35.7 t -102.49 120.59 40.78 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.016 0.436 . . . . 0.0 110.407 -174.522 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.449 ' HB ' ' O ' ' A' ' 43' ' ' PHE . 1.6 mt -115.03 143.42 24.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.542 0.687 . . . . 0.0 111.475 -176.538 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.505 ' O ' ' HB2' ' A' ' 58' ' ' ASN . 40.8 t-80 -83.58 139.78 41.15 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.999 179.255 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.596 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 18.3 Cg_endo -60.56 153.04 64.09 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.252 1.968 . . . . 0.0 111.459 176.007 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.458 ' HB2' ' O ' ' A' ' 56' ' ' PRO . 79.0 mt-30 71.17 9.26 6.62 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 122.677 0.391 . . . . 0.0 111.612 -176.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.505 ' HB2' ' O ' ' A' ' 55' ' ' HIS . 3.6 m120 -87.74 126.1 62.75 Favored Pre-proline 0 C--O 1.234 0.274 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 172.353 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 58' ' ' ASN . 58.6 Cg_exo -52.34 -35.3 64.1 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 123.305 2.67 . . . . 0.0 112.822 -176.447 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.514 ' HB2' ' HA ' ' A' ' 17' ' ' PRO . 31.8 t -58.63 -28.92 66.11 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.272 -0.422 . . . . 0.0 112.068 -176.234 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.532 ' HG ' ' CB ' ' A' ' 43' ' ' PHE . 0.6 OUTLIER -80.63 -47.17 14.5 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.123 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 32.8 t -62.91 -45.94 90.13 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.103 0.478 . . . . 0.0 110.303 -179.086 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -64.45 -27.15 68.79 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.22 177.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.467 ' CZ3' ' HB3' ' A' ' 23' ' ' LEU . 11.4 t-105 -71.32 -33.38 69.6 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.696 177.563 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -60.26 -36.37 77.64 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.255 -0.578 . . . . 0.0 110.381 174.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.426 ' O ' ' HB3' ' A' ' 69' ' ' GLU . 75.3 mm-40 -73.52 -43.47 59.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.301 175.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.58 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 10.3 m170 -71.19 -37.54 72.13 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.353 -177.731 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.453 ' HG2' HD22 ' A' ' 72' ' ' LEU . 0.5 OUTLIER -60.07 -41.14 91.78 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.102 0.477 . . . . 0.0 109.928 175.831 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.426 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 4.6 tp10 -53.66 -35.15 60.71 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.19 -0.914 . . . . 0.0 110.618 176.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.3 ptp180 -113.63 31.5 6.46 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.458 -176.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.696 ' HD3' ' HB3' ' A' ' 24' ' ' ARG . 7.3 ttmm -154.92 -163.31 1.54 Allowed 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.701 -0.227 . . . . 0.0 110.666 -176.12 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.504 HD21 ' O ' ' A' ' 26' ' ' VAL . 6.8 mp . . . . . 0 C--N 1.344 0.343 0 N-CA-C 113.991 1.108 . . . . 0.0 113.991 179.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 82.8 m . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.507 ' HB2' HE22 ' A' ' 32' ' ' GLN . 97.4 m -110.04 118.77 37.32 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.97 -175.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.8 p -105.07 1.65 28.71 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.64 0.733 . . . . 0.0 109.549 168.427 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -144.36 158.89 43.51 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.586 -178.611 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.538 HD13 ' HB3' ' A' ' 55' ' ' HIS . 87.1 mt -137.02 153.42 50.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.194 -178.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 56.9 t80 -81.43 -37.86 27.39 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 177.284 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 91.0 mtt180 74.39 -40.39 0.45 Allowed 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.811 0.844 . . . . 0.0 112.507 173.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.2 mptp? -79.23 162.33 64.46 Favored Pre-proline 0 C--N 1.324 -0.512 0 C-N-CA 122.349 0.26 . . . . 0.0 111.037 178.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -74.83 158.82 42.59 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.494 2.129 . . . . 0.0 112.498 176.299 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.776 ' HB3' HD11 ' A' ' 22' ' ' LEU . 89.8 mt -103.42 146.1 28.99 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.152 -177.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.663 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 13.6 m -76.14 143.79 40.99 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.479 178.413 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.507 ' HA ' HD12 ' A' ' 23' ' ' LEU . 12.4 t70 -62.65 -28.9 70.24 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 120.83 0.348 . . . . 0.0 110.948 -177.492 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.549 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 57.7 mtpt -57.03 -46.74 82.15 Favored 'General case' 0 C--O 1.227 -0.122 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.214 176.699 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.776 HD11 ' HB3' ' A' ' 18' ' ' LEU . 4.4 pp -75.01 -27.67 60.21 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.611 -0.435 . . . . 0.0 110.291 178.562 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.657 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 77.6 mt -65.02 -40.01 94.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.023 -178.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.592 ' HB3' ' HD3' ' A' ' 71' ' ' LYS . 19.3 ptp180 -72.05 3.9 4.0 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.339 0.59 . . . . 0.0 111.079 179.431 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.412 ' HE2' ' HA ' ' A' ' 22' ' ' LEU . 54.8 mtmt -116.18 6.55 13.93 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.95 178.09 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.745 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 47.1 t -76.54 152.71 5.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 175.08 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.522 HD13 ' HA ' ' A' ' 48' ' ' ALA . 30.1 pt -123.58 -31.75 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 C-N-CA 120.866 -0.334 . . . . 0.0 111.321 179.325 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.454 ' HB2' ' HB3' ' A' ' 46' ' ' HIS . 84.4 mm-40 -139.13 152.63 47.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.172 0.51 . . . . 0.0 111.605 -175.719 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 86.8 t -123.96 134.52 66.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 174.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.55 ' HG3' ' HB ' ' A' ' 44' ' ' VAL . 1.5 pt-20 -136.0 141.74 44.4 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.268 0.556 . . . . 0.0 112.03 -174.424 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 50.7 tp -107.66 115.67 30.56 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.94 176.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.507 HE22 ' HB2' ' A' ' 10' ' ' CYS . 8.5 tt0 -73.56 104.55 4.56 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 176.436 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -74.21 123.95 25.46 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 175.265 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.417 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . . . -70.88 30.05 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 114.434 1.272 . . . . 0.0 114.434 -163.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -177.2 -39.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.602 0.239 . . . . 0.0 111.278 -178.428 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -59.63 -29.69 67.42 Favored Glycine 0 C--O 1.235 0.163 0 CA-C-N 116.078 -0.51 . . . . 0.0 113.272 -177.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -127.16 -51.09 1.42 Allowed 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 177.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 6.5 m -149.51 161.89 41.23 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.151 176.341 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.488 ' O ' ' HB3' ' A' ' 40' ' ' LEU . 11.5 p-80 -72.88 165.42 24.96 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 110.473 -0.195 . . . . 0.0 110.473 179.597 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.488 ' HB3' ' O ' ' A' ' 39' ' ' HIS . 55.9 tp 73.74 132.5 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.448 0 O-C-N 123.972 0.795 . . . . 0.0 110.705 -176.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.417 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 53.3 tt0 -100.55 134.51 43.4 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.603 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.559 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -155.04 148.34 24.99 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.995 0.426 . . . . 0.0 112.112 -178.252 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -97.73 107.58 20.1 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.403 -0.817 . . . . 0.0 108.914 172.014 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.55 ' HB ' ' HG3' ' A' ' 30' ' ' GLU . 48.6 t -106.34 134.7 47.17 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.052 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.95 -172.436 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.552 HD12 HD12 ' A' ' 18' ' ' LEU . 67.7 mt -105.6 119.65 39.66 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.842 -178.244 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.454 ' HB3' ' HB2' ' A' ' 28' ' ' GLN . 1.7 t60 -104.16 107.09 17.83 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.586 -172.167 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.745 ' HA ' ' HA ' ' A' ' 26' ' ' VAL . 6.9 mp -87.53 167.75 13.67 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.035 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.522 ' HA ' HD13 ' A' ' 27' ' ' ILE . . . -62.22 -26.42 68.36 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.161 0.505 . . . . 0.0 111.295 -177.352 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.415 ' H ' ' NE2' ' A' ' 49' ' ' GLN . 0.0 OUTLIER -134.94 9.96 3.58 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.412 -178.273 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.55 ' HB2' ' HB2' ' A' ' 47' ' ' LEU . 65.9 mtt180 -146.5 170.22 17.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.041 0.448 . . . . 0.0 111.436 -175.661 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 41.8 m -151.92 122.79 7.52 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.321 173.023 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.595 HG21 HD21 ' A' ' 18' ' ' LEU . 3.7 mp -117.61 130.62 72.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 179.633 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.453 ' SG ' HG22 ' A' ' 44' ' ' VAL . 30.1 t -102.77 121.52 42.64 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.289 0.566 . . . . 0.0 110.237 -177.634 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.401 HG21 ' HB2' ' A' ' 61' ' ' LEU . 28.3 mt -121.37 136.94 56.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.34 -177.691 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.538 ' HB3' HD13 ' A' ' 13' ' ' LEU . 7.3 p80 -76.72 151.12 82.34 Favored Pre-proline 0 C--N 1.327 -0.405 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 177.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.559 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 31.9 Cg_exo -57.64 152.67 47.15 Favored 'Trans proline' 0 CA--C 1.528 0.212 0 C-N-CA 122.638 2.225 . . . . 0.0 112.217 -179.39 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 64.88 70.29 0.48 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.849 0.833 . . . . 0.0 110.24 -175.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -139.26 132.95 15.86 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.624 179.355 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.591 ' O ' ' HG3' ' A' ' 63' ' ' GLN . 5.4 Cg_endo -47.95 -52.12 8.76 Favored 'Trans proline' 0 N--CA 1.462 -0.344 0 C-N-CA 123.342 2.695 . . . . 0.0 112.547 -179.789 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 12.8 t -62.91 -39.35 94.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.751 0.31 . . . . 0.0 110.973 -175.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.434 HD22 ' HA ' ' A' ' 61' ' ' LEU . 0.6 OUTLIER -66.17 -46.68 76.56 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.844 -179.55 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 60.8 m -62.54 -45.07 94.64 Favored 'General case' 0 C--O 1.243 0.731 0 CA-C-O 121.341 0.591 . . . . 0.0 111.026 177.26 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.591 ' HG3' ' O ' ' A' ' 59' ' ' PRO . 45.3 mt-30 -56.99 -39.52 74.83 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.095 176.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.657 ' CZ3' ' HB3' ' A' ' 23' ' ' LEU . 22.8 t-105 -68.0 -31.36 71.0 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.241 -177.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.479 ' HA ' HE21 ' A' ' 68' ' ' GLN . 10.0 m-30 -52.99 -54.39 35.9 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-O 121.189 0.519 . . . . 0.0 110.208 175.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.404 ' O ' ' HG2' ' A' ' 70' ' ' ARG . 37.8 mt-10 -74.8 -35.28 62.49 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.279 -179.446 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.428 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 7.6 m170 -68.35 -41.67 80.35 Favored 'General case' 0 C--O 1.223 -0.308 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.682 -178.371 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.479 HE21 ' HA ' ' A' ' 65' ' ' PHE . 29.7 pt20 -64.64 -33.21 75.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.93 0.395 . . . . 0.0 110.449 -179.158 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -64.07 -28.91 70.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.352 179.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.404 ' HG2' ' O ' ' A' ' 66' ' ' GLU . 15.9 ptm180 -114.2 25.71 10.88 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.655 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.592 ' HD3' ' HB3' ' A' ' 24' ' ' ARG . 10.0 ttmm -145.74 -171.31 3.66 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 -178.791 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.408 ' H ' ' HG2' ' A' ' 71' ' ' LYS . 6.7 mp . . . . . 0 N--CA 1.472 0.638 0 N-CA-C 112.608 0.595 . . . . 0.0 112.608 -176.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 36.4 t . . . . . 0 N--CA 1.437 -1.096 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 63.7 m -88.42 123.33 32.86 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 114.15 -1.386 . . . . 0.0 111.627 -171.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 15.7 p -99.43 10.76 40.78 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.9 0.857 . . . . 0.0 108.69 169.453 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.427 HE21 ' HB2' ' A' ' 12' ' ' GLN . 0.0 OUTLIER -120.6 126.66 50.86 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 114.605 -1.179 . . . . 0.0 109.142 -178.839 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.482 HD13 ' HB2' ' A' ' 55' ' ' HIS . 87.0 mt -111.73 110.84 21.42 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 120.894 0.378 . . . . 0.0 110.678 179.186 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.672 ' CE2' ' HB2' ' A' ' 16' ' ' LYS . 27.9 t80 -65.95 -54.0 31.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.126 -178.541 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 50.0 mtp180 71.86 -13.45 0.58 Allowed 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 171.286 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.672 ' HB2' ' CE2' ' A' ' 14' ' ' TYR . 46.2 mmtm -72.33 145.91 88.63 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-O 120.529 0.204 . . . . 0.0 110.529 179.177 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.534 ' HA ' ' HB3' ' A' ' 60' ' ' SER . 19.4 Cg_exo -65.92 114.0 2.8 Favored 'Trans proline' 0 N--CA 1.461 -0.396 0 C-N-CA 122.606 2.204 . . . . 0.0 111.127 175.102 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.777 HD12 HD12 ' A' ' 45' ' ' LEU . 71.7 mt -75.56 146.34 40.53 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.085 0.469 . . . . 0.0 110.967 -178.254 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.647 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 16.6 m -78.11 138.51 38.77 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.967 -178.118 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.633 ' OD1' ' HE3' ' A' ' 71' ' ' LYS . 29.0 t70 -59.05 -33.07 70.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.509 -176.271 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.431 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 97.2 mttt -58.87 -47.09 86.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.157 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.647 ' HG ' ' O ' ' A' ' 19' ' ' SER . 4.5 pp -74.84 -27.95 60.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.691 0.282 . . . . 0.0 110.548 177.614 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' A' ' 19' ' ' SER . 60.9 mt -63.46 -48.04 79.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.771 -177.155 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.679 ' HB3' ' HD3' ' A' ' 71' ' ' LYS . 16.3 ptm180 -55.14 -21.24 12.55 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 120.927 0.394 . . . . 0.0 111.924 179.588 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.433 ' HE3' ' HA ' ' A' ' 22' ' ' LEU . 48.8 mtmt -93.64 10.98 30.52 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.113 0.482 . . . . 0.0 111.582 -178.436 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.638 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 6.4 t -74.17 129.67 36.36 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.869 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 171.682 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.556 HD13 ' HA ' ' A' ' 48' ' ' ALA . 19.9 pt -94.34 -30.68 4.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.242 -175.294 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 72.8 mm-40 -152.94 157.02 40.0 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.25 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 40.4 t -116.59 120.07 63.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 174.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.466 ' HG3' ' HB ' ' A' ' 44' ' ' VAL . 3.4 pt-20 -107.42 131.94 53.73 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.231 0.538 . . . . 0.0 110.962 -175.345 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 55.0 tp -102.18 116.24 32.25 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.552 -178.291 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.401 ' HB3' ' H ' ' A' ' 42' ' ' ALA . 18.4 tt0 -87.38 110.88 20.57 Favored 'General case' 0 C--N 1.314 -0.975 0 N-CA-C 108.183 -1.044 . . . . 0.0 108.183 173.776 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.496 ' OE1' ' HA3' ' A' ' 36' ' ' GLY . 80.1 mt-10 -67.31 164.34 18.66 Favored 'General case' 0 C--N 1.318 -0.766 0 C-N-CA 121.061 -0.256 . . . . 0.0 110.355 -177.513 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.31 -11.38 60.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.809 0.337 . . . . 0.0 111.55 -172.162 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.499 ' HA ' ' HA ' ' A' ' 39' ' ' HIS . 14.9 t70 -175.62 25.08 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.25 -1.018 . . . . 0.0 108.25 -177.245 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.496 ' HA3' ' OE1' ' A' ' 33' ' ' GLU . . . -117.18 95.05 0.65 Allowed Glycine 0 N--CA 1.446 -0.689 0 CA-C-N 114.978 -1.01 . . . . 0.0 111.156 -177.53 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 36.7 t70 99.95 -38.35 0.01 OUTLIER 'General case' 0 CA--C 1.506 -0.747 0 C-N-CA 125.815 1.646 . . . . 0.0 107.022 -175.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 74.1 m -153.61 158.32 40.97 Favored 'General case' 0 N--CA 1.442 -0.862 0 CA-C-N 113.687 -1.597 . . . . 0.0 109.46 173.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.499 ' HA ' ' HA ' ' A' ' 35' ' ' ASP . 13.1 p-80 -79.06 164.01 24.68 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 171.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.406 ' HB3' ' O ' ' A' ' 39' ' ' HIS . 2.1 tm? 75.03 105.31 0.07 Allowed 'General case' 0 N--CA 1.467 0.382 0 O-C-N 123.951 0.782 . . . . 0.0 110.17 179.134 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -75.54 132.61 40.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.69 -178.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.565 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -144.63 137.26 26.55 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.248 -178.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.652 ' HB3' ' HG ' ' A' ' 61' ' ' LEU . 4.8 m-85 -94.02 104.19 16.24 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 171.218 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.466 ' HB ' ' HG3' ' A' ' 30' ' ' GLU . 60.6 t -106.68 128.12 61.61 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-O 121.278 0.561 . . . . 0.0 111.065 -172.272 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.777 HD12 HD12 ' A' ' 18' ' ' LEU . 66.8 mt -95.1 123.57 38.67 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.291 -177.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -103.34 99.25 9.09 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.575 -173.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.638 ' HA ' ' HA ' ' A' ' 26' ' ' VAL . 6.8 mp -76.48 164.87 25.55 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 173.222 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.556 ' HA ' HD13 ' A' ' 27' ' ' ILE . . . -64.03 -14.21 52.55 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.794 0.331 . . . . 0.0 111.761 -178.143 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -108.26 -34.74 6.73 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.555 -176.434 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' A' ' 50' ' ' ARG . 0.0 OUTLIER -166.98 165.58 15.79 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.72 0.295 . . . . 0.0 111.517 -176.942 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 67.4 m -98.25 145.32 26.76 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 178.435 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.505 HG21 HD21 ' A' ' 18' ' ' LEU . 67.6 mt -117.52 125.97 74.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 173.303 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.463 ' HA ' HG22 ' A' ' 44' ' ' VAL . 6.2 m -100.64 120.96 40.83 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.311 0.577 . . . . 0.0 110.376 -170.034 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 59.3 mt -124.25 139.38 50.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.396 -173.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.504 ' O ' ' HB2' ' A' ' 58' ' ' ASN . 50.6 t-80 -74.19 135.94 76.12 Favored Pre-proline 0 C--N 1.325 -0.46 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 173.469 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.565 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 68.5 Cg_exo -53.65 168.16 0.8 Allowed 'Trans proline' 0 CA--C 1.531 0.326 0 C-N-CA 122.937 2.424 . . . . 0.0 112.602 177.034 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.407 ' HB2' ' O ' ' A' ' 56' ' ' PRO . 31.1 mm-40 69.81 -1.13 2.43 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 122.851 0.461 . . . . 0.0 111.711 -177.427 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.504 ' HB2' ' O ' ' A' ' 55' ' ' HIS . 3.6 t30 -80.31 127.34 76.62 Favored Pre-proline 0 C--N 1.329 -0.323 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_endo -49.81 -33.61 33.38 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 123.712 2.941 . . . . 0.0 112.882 -176.086 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.534 ' HB3' ' HA ' ' A' ' 17' ' ' PRO . 49.4 p -57.85 -48.48 79.66 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.453 -179.075 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.652 ' HG ' ' HB3' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -70.2 -41.65 73.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.028 -176.938 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 35.6 t -60.99 -48.97 79.38 Favored 'General case' 0 C--O 1.24 0.554 0 CA-C-O 121.231 0.539 . . . . 0.0 110.667 179.405 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -63.93 -30.81 71.86 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.24 177.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.499 ' CZ3' ' HB3' ' A' ' 23' ' ' LEU . 18.6 t-105 -70.42 -32.88 70.67 Favored 'General case' 0 C--O 1.219 -0.516 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.932 178.239 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.467 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 7.1 m-85 -54.85 -45.37 74.53 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.13 0.491 . . . . 0.0 110.425 174.593 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -71.44 -46.08 60.97 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.578 0.704 . . . . 0.0 111.064 177.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -67.7 -32.88 73.82 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.923 -176.204 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.467 ' HG2' ' O ' ' A' ' 65' ' ' PHE . 2.8 pt20 -70.43 -29.33 65.89 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 179.104 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -63.57 -27.26 69.13 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.063 0.458 . . . . 0.0 110.22 177.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -108.42 15.09 24.23 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 179.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.679 ' HD3' ' HB3' ' A' ' 24' ' ' ARG . 54.4 mttm -136.4 -159.9 1.0 Allowed 'General case' 0 N--CA 1.467 0.38 0 O-C-N 122.37 -0.206 . . . . 0.0 110.838 177.415 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.48 HD11 ' CZ2' ' A' ' 64' ' ' TRP . 7.3 mp . . . . . 0 C--N 1.343 0.298 0 O-C-N 123.522 0.514 . . . . 0.0 111.645 -174.303 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.478 ' HA ' ' OE1' ' A' ' 32' ' ' GLN . 38.5 t . . . . . 0 N--CA 1.448 -0.541 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.7 t -112.69 118.18 34.31 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.916 -173.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.5 t -113.53 11.51 18.36 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.091 176.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -163.58 119.59 1.7 Allowed 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.347 179.199 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.478 HD23 ' SG ' ' A' ' 53' ' ' CYS . 88.6 mt -86.47 140.43 29.96 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.486 -179.443 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.411 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 51.9 t80 -70.15 -38.45 75.48 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 175.309 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.411 ' HB2' ' O ' ' A' ' 14' ' ' TYR . 44.5 mtm180 74.25 -51.21 0.69 Allowed 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 115.319 -0.855 . . . . 0.0 112.878 174.002 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -67.99 148.72 98.38 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-O 120.699 0.285 . . . . 0.0 111.228 179.077 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -63.9 125.87 16.21 Favored 'Trans proline' 0 C--O 1.235 0.361 0 C-N-CA 122.684 2.256 . . . . 0.0 111.727 175.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.738 HD12 HD12 ' A' ' 45' ' ' LEU . 56.4 mt -65.26 135.21 55.1 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.071 0.462 . . . . 0.0 110.706 179.527 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.2 m -68.81 150.64 47.61 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.099 -177.561 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.448 ' HA ' ' HB2' ' A' ' 23' ' ' LEU . 7.9 t70 -56.49 -30.11 62.58 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.256 0.55 . . . . 0.0 110.49 -178.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.461 ' O ' ' HE2' ' A' ' 25' ' ' LYS . 67.4 mmtt -55.1 -46.61 75.54 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.088 -0.96 . . . . 0.0 110.653 178.027 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.94 -38.29 66.86 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 -179.724 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.448 ' HB2' ' HA ' ' A' ' 20' ' ' ASP . 5.4 mp -57.67 -45.82 85.07 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.747 -1.115 . . . . 0.0 112.176 -174.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.1 ptp180 -70.28 -4.97 24.47 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.192 0.52 . . . . 0.0 111.328 -179.318 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.461 ' HE2' ' O ' ' A' ' 21' ' ' LYS . 53.7 mtmt -111.84 2.15 16.92 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.945 -178.459 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.741 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 45.6 t -76.76 150.76 5.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 108.693 -0.855 . . . . 0.0 108.693 174.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 14.0 pt -127.96 -19.68 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 C-N-CA 121.015 -0.274 . . . . 0.0 111.64 179.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.668 ' HB2' ' HB3' ' A' ' 46' ' ' HIS . 58.6 mm-40 -148.36 155.09 40.82 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.043 0.449 . . . . 0.0 112.0 -177.63 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 45.7 t -114.16 118.88 59.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 108.72 -0.845 . . . . 0.0 108.72 172.585 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.441 ' CD ' ' HB2' ' A' ' 46' ' ' HIS . 3.5 mt-10 -113.2 155.17 25.5 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.95 0.405 . . . . 0.0 110.244 -174.099 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 62.0 tp -128.51 122.08 30.34 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.584 -179.087 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.52 ' O ' ' HA ' ' A' ' 41' ' ' GLN . 7.9 tt0 -76.79 104.02 7.06 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 173.382 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.405 ' C ' ' H ' ' A' ' 35' ' ' ASP . 29.8 mt-10 -69.7 133.32 47.39 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 176.337 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.568 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . . . -72.84 29.96 0.06 Allowed 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 113.064 0.764 . . . . 0.0 113.064 -169.112 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.405 ' H ' ' C ' ' A' ' 33' ' ' GLU . 34.0 t70 -177.82 -29.19 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.052 178.028 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -60.42 -28.58 67.53 Favored Glycine 0 C--N 1.332 0.359 0 CA-C-N 115.595 -0.73 . . . . 0.0 112.87 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -126.95 -65.03 0.98 Allowed 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 176.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 52.5 m -125.38 -173.87 2.92 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.175 177.392 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 73.3 m-70 -78.32 -24.5 46.59 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 -167.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.41 ' O ' ' HA ' ' A' ' 34' ' ' ALA . 1.1 pt? -110.04 172.7 6.71 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.446 -0.501 . . . . 0.0 111.623 -175.07 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.568 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 7.3 tt0 -114.38 141.75 47.23 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.326 179.02 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.733 ' HA ' ' HG3' ' A' ' 56' ' ' PRO . . . -156.7 150.05 24.31 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.744 178.479 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.465 ' CB ' ' HG ' ' A' ' 61' ' ' LEU . 10.0 m-85 -93.23 118.67 31.52 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 173.461 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 61.3 t -117.83 129.86 73.59 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.138 -172.477 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.738 HD12 HD12 ' A' ' 18' ' ' LEU . 51.2 mt -98.39 127.35 44.29 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.078 0.466 . . . . 0.0 111.072 -178.318 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.668 ' HB3' ' HB2' ' A' ' 28' ' ' GLN . 4.7 t60 -98.27 106.53 18.83 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.868 -177.209 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.741 ' HA ' ' HA ' ' A' ' 26' ' ' VAL . 6.6 mp -92.95 170.6 9.54 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 178.268 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.94 7.23 0.97 Allowed 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 -175.497 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -121.2 -52.99 2.05 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 175.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.98 178.27 9.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.296 -0.866 . . . . 0.0 110.376 -177.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 61.5 m -98.11 151.6 20.22 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.036 0.446 . . . . 0.0 111.1 -179.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 63.7 mt -124.17 144.96 32.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 176.395 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.478 ' SG ' HD23 ' A' ' 13' ' ' LEU . 40.8 t -101.91 129.69 48.23 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.277 0.56 . . . . 0.0 111.484 -174.519 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -120.93 143.04 34.43 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.646 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.742 -178.194 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 42.8 t-80 -56.9 122.83 55.34 Favored Pre-proline 0 C--O 1.224 -0.278 0 CA-C-N 115.668 -0.697 . . . . 0.0 109.457 173.439 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.733 ' HG3' ' HA ' ' A' ' 42' ' ' ALA . 87.2 Cg_exo -44.02 -52.88 5.13 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 123.072 2.514 . . . . 0.0 113.49 -173.684 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -86.94 75.57 9.54 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.356 0.598 . . . . 0.0 110.242 174.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 47.2 t-20 -128.59 125.51 23.14 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.36 177.592 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -48.57 -36.02 30.67 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 123.07 2.513 . . . . 0.0 112.749 177.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.54 ' HA ' ' OE1' ' A' ' 63' ' ' GLN . 5.7 m -62.68 -32.71 73.84 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.449 -177.246 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.465 ' HG ' ' CB ' ' A' ' 43' ' ' PHE . 0.5 OUTLIER -77.31 -47.39 20.14 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 -178.867 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.0 m -61.63 -49.86 74.88 Favored 'General case' 0 C--O 1.246 0.92 0 CA-C-O 121.52 0.676 . . . . 0.0 110.678 178.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.54 ' OE1' ' HA ' ' A' ' 60' ' ' SER . 2.9 pt20 -63.59 -27.63 69.38 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.772 179.218 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 17.8 t-105 -64.3 -36.76 85.14 Favored 'General case' 0 C--O 1.219 -0.55 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.619 178.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -56.68 -41.66 77.7 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.49 -0.484 . . . . 0.0 109.96 175.311 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.44 ' O ' ' HB3' ' A' ' 69' ' ' GLU . 6.5 mm-40 -71.51 -47.82 52.87 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-O 121.777 0.798 . . . . 0.0 111.162 177.434 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.436 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 13.7 m170 -71.97 -30.47 65.31 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.312 -173.432 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -68.09 -37.72 81.53 Favored 'General case' 0 CA--C 1.517 -0.303 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 175.152 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.44 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 13.7 tp10 -52.41 -35.52 52.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.092 178.196 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.429 HH11 ' HD3' ' A' ' 70' ' ' ARG . 15.1 ptt180 -114.19 32.11 6.13 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 120.571 -0.452 . . . . 0.0 111.881 176.401 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.506 ' HG2' ' H ' ' A' ' 72' ' ' LEU . 25.9 ttmt -142.95 -167.93 2.66 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 174.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.506 ' H ' ' HG2' ' A' ' 71' ' ' LYS . 9.6 mp . . . . . 0 N--CA 1.467 0.392 0 CA-C-O 121.307 0.575 . . . . 0.0 111.242 -172.254 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.429 ' HA ' ' HB2' ' A' ' 38' ' ' CYS . 49.3 t . . . . . 0 N--CA 1.452 -0.355 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 56.2 m -84.95 118.61 24.65 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.872 -176.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.7 p -81.29 -40.71 23.25 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-O 121.334 0.587 . . . . 0.0 109.938 172.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -90.29 156.85 17.99 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.667 175.044 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.503 HD13 ' HB3' ' A' ' 55' ' ' HIS . 94.8 mt -136.02 151.97 50.43 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.439 179.659 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -76.95 -47.75 20.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.924 -175.008 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 72.3 mtt180 67.71 6.7 5.2 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 112.907 0.706 . . . . 0.0 112.907 175.382 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt -118.23 151.07 48.81 Favored Pre-proline 0 C--N 1.322 -0.617 0 C-N-CA 120.985 -0.286 . . . . 0.0 110.898 -178.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_exo -65.78 125.45 14.3 Favored 'Trans proline' 0 C--O 1.236 0.395 0 C-N-CA 122.998 2.465 . . . . 0.0 111.847 175.562 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.635 HD21 HG21 ' A' ' 52' ' ' ILE . 60.1 mt -77.54 141.47 39.56 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.279 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.558 ' HB2' ' HG ' ' A' ' 22' ' ' LEU . 5.1 m -70.31 146.18 50.73 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.607 -178.293 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -56.91 -32.92 66.42 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.422 0.629 . . . . 0.0 110.956 -177.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -67.09 -38.56 85.91 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.923 -1.035 . . . . 0.0 111.381 -177.059 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.558 ' HG ' ' HB2' ' A' ' 19' ' ' SER . 0.7 OUTLIER -74.27 -37.07 63.81 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 175.31 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.529 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 21.4 mt -64.57 -40.53 95.72 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.139 -1.391 . . . . 0.0 112.386 -174.481 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -66.26 0.1 2.26 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 177.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -118.11 14.18 13.97 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.123 0.487 . . . . 0.0 110.874 -179.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.502 ' O ' ' HG ' ' A' ' 72' ' ' LEU . 20.7 t -77.56 136.34 24.49 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.775 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.97 176.135 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.457 HD13 ' HA ' ' A' ' 48' ' ' ALA . 29.4 pt -111.86 -25.11 3.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.419 -177.282 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.62 ' HB2' ' HB3' ' A' ' 46' ' ' HIS . 77.5 mm-40 -146.58 149.19 33.09 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.932 0.396 . . . . 0.0 111.244 -175.672 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.51 HG11 HE22 ' A' ' 68' ' ' GLN . 4.0 p -124.25 116.43 47.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 172.025 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -118.98 145.05 46.14 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.294 0.569 . . . . 0.0 111.844 -169.563 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 50.3 tp -101.41 114.46 28.48 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.435 177.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.427 ' O ' ' HA ' ' A' ' 41' ' ' GLN . 38.5 tt0 -82.88 105.41 13.87 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.37 173.518 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -71.18 147.94 47.81 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.957 0.408 . . . . 0.0 111.16 -179.497 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.472 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . . . -76.58 0.05 21.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.493 178.443 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -153.25 112.02 3.72 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.397 -0.82 . . . . 0.0 108.845 177.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 122.79 -78.34 0.35 Allowed Glycine 0 N--CA 1.446 -0.675 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.345 -175.412 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -66.88 -41.04 87.91 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-O 121.219 0.533 . . . . 0.0 110.219 177.404 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.429 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 5.9 t -156.37 -169.66 3.1 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.751 -175.094 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -98.88 -21.07 16.49 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.041 0.448 . . . . 0.0 110.688 177.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -119.17 161.33 20.53 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 177.041 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.472 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 35.0 tt0 -101.32 138.61 38.11 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.841 -175.637 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.566 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -153.83 143.14 21.48 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 178.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -93.64 106.45 18.42 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 170.198 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 73.8 t -104.74 135.8 41.11 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.95 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.728 -171.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.551 HD12 HD12 ' A' ' 18' ' ' LEU . 81.6 mt -103.31 130.77 50.66 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.165 -176.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.62 ' HB3' ' HB2' ' A' ' 28' ' ' GLN . 3.5 t60 -112.1 116.81 31.11 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.171 -169.488 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.5 mp -99.35 169.86 9.05 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 173.403 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.457 ' HA ' HD13 ' A' ' 27' ' ' ILE . . . -57.25 -24.18 53.06 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.748 0.648 . . . . 0.0 112.748 -175.558 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.71 -0.89 2.55 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.684 -177.039 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 20.7 mtp180 -139.11 148.13 42.85 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.136 -171.069 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 12.9 m -126.94 123.5 37.31 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 175.495 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.635 HG21 HD21 ' A' ' 18' ' ' LEU . 68.3 mt -114.09 127.07 71.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-O 120.792 0.33 . . . . 0.0 110.305 -176.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 19.5 m -101.46 124.46 47.16 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.073 0.464 . . . . 0.0 110.867 -170.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 56.8 mt -131.94 134.1 60.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.99 -175.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.503 ' HB3' HD13 ' A' ' 13' ' ' LEU . 1.2 p80 -67.49 138.06 93.69 Favored Pre-proline 0 N--CA 1.462 0.14 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 172.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.566 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 63.1 Cg_exo -51.28 -34.24 48.59 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 123.228 2.619 . . . . 0.0 113.077 -174.709 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 19.7 mp0 -84.35 57.01 4.03 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.483 -178.205 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -136.87 129.16 17.13 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.492 -177.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -51.43 -37.99 62.67 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 123.263 2.642 . . . . 0.0 113.334 -177.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.2 t -58.3 -37.31 74.79 Favored 'General case' 0 C--O 1.222 -0.368 0 CA-C-N 116.667 -0.242 . . . . 0.0 111.121 -178.524 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.406 HD22 ' HA ' ' A' ' 61' ' ' LEU . 0.4 OUTLIER -76.65 -45.97 27.68 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 -174.229 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 24.6 t -62.82 -48.52 78.72 Favored 'General case' 0 C--O 1.243 0.735 0 CA-C-O 121.239 0.542 . . . . 0.0 110.51 178.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -61.41 -31.61 71.54 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.604 176.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.685 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 12.4 t-105 -70.77 -36.41 73.05 Favored 'General case' 0 C--O 1.216 -0.664 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.468 -179.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.2 m-30 -52.23 -43.42 64.28 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.08 0.466 . . . . 0.0 110.259 176.259 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -64.6 -56.32 14.71 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-O 121.549 0.69 . . . . 0.0 111.065 174.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.527 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 32.8 m170 -69.91 -32.12 70.27 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.451 -0.795 . . . . 0.0 112.696 -169.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.685 ' HG2' ' O ' ' A' ' 64' ' ' TRP . 11.5 pt20 -73.36 -35.39 65.95 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 117.898 0.317 . . . . 0.0 110.376 178.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -58.15 -32.86 68.58 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.383 0.611 . . . . 0.0 110.114 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.407 ' H ' ' HG2' ' A' ' 70' ' ' ARG . 0.8 OUTLIER -114.82 35.38 4.31 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.848 179.001 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.625 ' HB3' HD13 ' A' ' 72' ' ' LEU . 20.8 ttmt -147.26 -164.92 2.11 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 119.158 -0.449 . . . . 0.0 109.835 176.237 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.625 HD13 ' HB3' ' A' ' 71' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.946 0 N-CA-C 114.972 1.471 . . . . 0.0 114.972 -172.274 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.52 ' HB2' ' OD1' ' A' ' 37' ' ' ASP . 38.3 t . . . . . 0 CA--C 1.518 -0.263 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 64.7 m -72.68 118.74 15.98 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.844 -1.071 . . . . 0.0 111.294 -172.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.0 p -87.31 -0.39 56.68 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.585 175.035 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -138.14 162.17 34.91 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.316 -0.857 . . . . 0.0 109.801 175.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.52 HD13 ' HB2' ' A' ' 55' ' ' HIS . 43.2 mt -138.52 135.32 34.95 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.686 0.279 . . . . 0.0 110.431 -177.668 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -66.21 -43.44 86.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.527 -176.6 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 81.5 mtm180 73.9 -44.21 0.56 Allowed 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 115.531 -0.759 . . . . 0.0 112.352 174.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.418 ' HA ' ' HD3' ' A' ' 16' ' ' LYS . 35.2 mmtm -71.85 148.48 92.25 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-O 120.699 0.285 . . . . 0.0 111.157 179.679 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -63.61 143.57 87.63 Favored 'Trans proline' 0 C--O 1.236 0.406 0 C-N-CA 122.623 2.216 . . . . 0.0 111.845 177.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.698 ' HB3' HD11 ' A' ' 22' ' ' LEU . 48.0 mt -89.15 148.86 23.43 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.352 -177.81 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.605 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 13.8 m -68.69 133.37 48.33 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.635 179.333 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.53 ' OD1' ' HE3' ' A' ' 71' ' ' LYS . 23.3 t70 -60.41 -28.75 68.5 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.109 0.48 . . . . 0.0 110.973 -176.679 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.63 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 58.3 mttp -66.4 -45.18 80.84 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.184 178.112 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.698 HD11 ' HB3' ' A' ' 18' ' ' LEU . 4.5 pp -73.32 -27.39 61.5 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.023 176.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.618 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 50.2 mt -62.51 -46.55 87.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.028 177.759 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.63 ' HG2' ' O ' ' A' ' 21' ' ' LYS . 13.3 ptm180 -62.55 -12.72 24.34 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 120.977 0.418 . . . . 0.0 111.02 -179.478 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -101.15 9.84 41.53 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.872 179.044 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.695 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 9.5 t -79.99 132.41 31.94 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.862 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 172.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.604 HD13 ' HA ' ' A' ' 48' ' ' ALA . 10.7 pt -97.42 -36.6 6.17 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.36 -176.267 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 75.0 mm-40 -146.28 157.6 43.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.119 0.485 . . . . 0.0 111.328 -178.041 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.537 HG21 HE22 ' A' ' 68' ' ' GLN . 65.7 t -116.09 134.36 59.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 175.569 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.447 ' HG3' ' HB ' ' A' ' 44' ' ' VAL . 9.6 pt-20 -125.78 137.45 53.79 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.384 0.611 . . . . 0.0 111.247 -176.689 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 47.5 tp -97.18 115.27 27.26 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.326 179.112 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.413 ' O ' ' HA ' ' A' ' 41' ' ' GLN . 41.8 tt0 -70.98 104.36 2.95 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 174.234 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -69.91 130.04 41.16 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.651 -176.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.684 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . . . -79.61 23.6 0.41 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.608 -178.092 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -155.94 -59.43 0.1 Allowed 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.992 -0.283 . . . . 0.0 111.604 -178.025 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -61.27 -39.63 97.47 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 121.11 -0.567 . . . . 0.0 113.271 -176.039 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.52 ' OD1' ' HB2' ' A' ' 9' ' ' CYS . 9.9 t0 -110.32 -61.88 1.6 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.38 0.61 . . . . 0.0 110.39 -178.815 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.4 t -112.18 178.03 4.44 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.452 -171.144 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -87.91 -30.76 19.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.137 0.494 . . . . 0.0 110.628 174.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.404 ' HG ' ' NE2' ' A' ' 32' ' ' GLN . 0.7 OUTLIER -111.96 157.37 20.78 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.369 -179.567 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.684 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 35.8 tt0 -99.0 143.42 29.3 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.541 179.536 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.471 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -150.08 148.6 29.19 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.043 177.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.544 ' O ' ' HB ' ' A' ' 54' ' ' ILE . 34.8 m-85 -99.08 106.8 19.06 Favored 'General case' 0 C--N 1.312 -1.042 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 174.672 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.447 ' HB ' ' HG3' ' A' ' 30' ' ' GLU . 60.2 t -106.3 131.04 57.0 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.946 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.81 -171.385 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.657 HD12 HD12 ' A' ' 18' ' ' LEU . 63.4 mt -104.08 130.04 51.77 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.176 -177.399 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -114.32 107.99 16.31 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.234 -171.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.695 ' HA ' ' HA ' ' A' ' 26' ' ' VAL . 6.3 mp -79.15 168.58 19.41 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 174.127 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.604 ' HA ' HD13 ' A' ' 27' ' ' ILE . . . -55.57 -23.02 24.63 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.095 0.474 . . . . 0.0 111.977 179.206 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -138.34 3.84 2.39 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.904 -173.033 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.506 ' HB2' ' HB2' ' A' ' 47' ' ' LEU . 82.5 mtp180 -141.07 157.46 45.28 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.895 0.379 . . . . 0.0 111.718 -172.183 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 12.9 m -134.71 124.2 24.88 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.345 175.509 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.594 HG21 HD21 ' A' ' 18' ' ' LEU . 66.3 mt -125.91 132.69 70.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 110.371 -0.233 . . . . 0.0 110.371 -177.486 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 38.3 m -101.65 121.52 42.17 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.295 0.569 . . . . 0.0 110.622 -174.131 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.544 ' HB ' ' O ' ' A' ' 43' ' ' PHE . 22.8 mt -117.97 133.87 63.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.161 -176.465 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.52 ' HB2' HD13 ' A' ' 13' ' ' LEU . 53.3 t-80 -71.34 135.07 84.46 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.916 174.743 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 59.7 Cg_exo -52.86 159.78 4.73 Favored 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 122.823 2.348 . . . . 0.0 112.071 175.828 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 20.4 mp0 64.86 28.04 12.81 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.418 0.627 . . . . 0.0 111.205 -176.256 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 43.1 t-20 -103.0 124.45 38.47 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.205 174.288 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -48.65 -38.81 37.3 Favored 'Trans proline' 0 N--CA 1.463 -0.293 0 C-N-CA 123.184 2.589 . . . . 0.0 112.995 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 20.1 t -63.41 -29.87 71.09 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.503 0.192 . . . . 0.0 111.18 -176.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.496 ' HG ' ' CB ' ' A' ' 43' ' ' PHE . 1.1 tm? -80.15 -48.65 12.85 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 -179.279 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 21.6 m -63.17 -48.62 77.61 Favored 'General case' 0 C--O 1.241 0.638 0 CA-C-O 121.366 0.603 . . . . 0.0 110.764 179.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -60.39 -28.05 67.92 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.381 176.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.642 ' CZ2' HD21 ' A' ' 72' ' ' LEU . 16.9 t-105 -66.71 -33.95 76.76 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.885 -0.326 . . . . 0.0 111.151 178.505 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -59.77 -39.88 86.35 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.455 -0.498 . . . . 0.0 110.047 175.242 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -74.89 -43.43 54.38 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-O 121.488 0.661 . . . . 0.0 110.623 177.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.48 ' O ' ' HG2' ' A' ' 70' ' ' ARG . 9.0 m170 -65.43 -41.71 93.24 Favored 'General case' 0 C--O 1.223 -0.314 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.532 -178.426 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.537 HE22 HG21 ' A' ' 29' ' ' VAL . 2.6 pt20 -65.26 -34.72 79.03 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 -179.455 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -56.32 -31.32 63.58 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.745 178.453 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.48 ' HG2' ' O ' ' A' ' 67' ' ' HIS . 5.9 ptp180 -103.65 11.9 35.49 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.732 -179.314 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.53 ' HE3' ' OD1' ' A' ' 20' ' ' ASP . 52.7 mttm -137.79 -144.75 0.19 Allowed 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.702 0.287 . . . . 0.0 110.55 179.25 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.642 HD21 ' CZ2' ' A' ' 64' ' ' TRP . 0.2 OUTLIER . . . . . 0 C--N 1.341 0.229 0 CA-C-N 115.736 -0.666 . . . . 0.0 112.699 174.134 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 49.4 t . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 121.257 0.551 . . . . 0.0 109.777 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 97.8 m -86.08 118.79 25.77 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.016 -178.664 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.1 p -91.45 4.72 51.81 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.948 177.429 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -150.66 165.67 32.69 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.541 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.457 HD13 ' HB2' ' A' ' 55' ' ' HIS . 56.9 mt -129.03 149.26 50.92 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.418 -177.789 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.406 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 24.0 t80 -82.21 -39.56 22.94 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.1 178.734 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.406 ' HB2' ' O ' ' A' ' 14' ' ' TYR . 41.6 mtp180 73.55 -46.24 0.63 Allowed 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 112.817 0.673 . . . . 0.0 112.817 175.341 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.412 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 45.2 mtmt -74.21 151.41 87.97 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-O 120.632 0.253 . . . . 0.0 111.486 -177.332 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 16' ' ' LYS . 7.4 Cg_exo -73.15 128.77 13.32 Favored 'Trans proline' 0 N--CA 1.462 -0.382 0 C-N-CA 122.885 2.39 . . . . 0.0 111.791 176.47 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.573 ' HB3' HD11 ' A' ' 22' ' ' LEU . 83.5 mt -74.32 159.82 31.9 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.663 -179.784 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.683 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 20.8 m -85.99 141.66 29.34 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.907 -179.701 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.476 ' OD1' ' HE3' ' A' ' 71' ' ' LYS . 16.6 t70 -60.76 -28.63 68.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.967 -173.595 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 49.7 mmtm -60.81 -42.89 98.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.928 178.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.683 ' HG ' ' O ' ' A' ' 19' ' ' SER . 3.8 pp -76.04 -25.7 55.9 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.842 176.686 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.458 ' HG ' ' CE3' ' A' ' 64' ' ' TRP . 5.7 mp -59.66 -42.97 94.04 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.539 178.596 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.3 ptp180 -68.09 3.96 1.41 Allowed 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 176.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.581 ' HD3' ' HA ' ' A' ' 22' ' ' LEU . 29.1 mtpp -106.88 -21.7 12.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.412 178.292 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.409 HG22 ' HG ' ' A' ' 47' ' ' LEU . 38.6 t -61.62 145.51 12.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.721 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.409 HG12 ' O ' ' A' ' 46' ' ' HIS . 36.6 pt -109.39 -29.46 2.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 C-N-CA 120.755 -0.378 . . . . 0.0 111.625 -177.438 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 70.2 mm-40 -148.53 151.05 34.45 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.143 0.496 . . . . 0.0 112.063 -174.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.6 p -111.46 124.25 68.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.253 -0.885 . . . . 0.0 108.705 171.38 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -122.67 149.95 43.35 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.826 0.346 . . . . 0.0 111.466 -168.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.557 HD13 ' CZ ' ' A' ' 43' ' ' PHE . 30.7 tp -120.87 114.48 21.64 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.174 0.512 . . . . 0.0 111.227 -177.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.447 ' O ' ' HA ' ' A' ' 41' ' ' GLN . 47.3 tt0 -89.28 107.94 19.34 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.475 -0.784 . . . . 0.0 108.981 172.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -75.0 150.18 39.06 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 -178.622 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.659 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . . . -75.67 23.75 0.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 -167.599 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -175.96 -20.08 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.418 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -58.61 -48.73 83.01 Favored Glycine 0 C--N 1.333 0.385 0 C-N-CA 121.063 -0.589 . . . . 0.0 112.346 178.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -108.01 -58.95 1.91 Allowed 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 175.429 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 71.6 m -137.08 156.42 48.41 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.395 -0.821 . . . . 0.0 109.52 179.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -72.92 70.35 1.01 Allowed 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 121.205 0.526 . . . . 0.0 111.688 -179.477 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.3 tt -173.61 124.67 0.38 Allowed 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 179.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.659 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 25.6 tt0 -90.54 116.66 28.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.072 0.463 . . . . 0.0 110.162 179.574 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -136.36 161.78 34.85 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.998 -177.495 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.557 ' CZ ' HD13 ' A' ' 31' ' ' LEU . 41.8 m-85 -120.0 124.24 45.44 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 171.421 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 38.8 t -100.89 121.81 52.16 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.072 0 CA-C-O 121.008 0.432 . . . . 0.0 110.093 -176.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.654 HD21 HD13 ' A' ' 61' ' ' LEU . 13.9 mt -91.87 103.25 15.82 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 108.342 -0.985 . . . . 0.0 108.342 177.553 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.409 ' O ' HG12 ' A' ' 27' ' ' ILE . 4.5 t-160 -96.18 106.26 18.43 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.191 -0.913 . . . . 0.0 111.729 -165.431 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.409 ' HG ' HG22 ' A' ' 26' ' ' VAL . 5.3 mp -93.97 160.45 14.72 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 171.233 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.57 -11.66 60.26 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.825 0.345 . . . . 0.0 111.788 -171.293 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.49 3.76 8.35 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.72 -177.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.9 ptm180 -175.26 147.27 0.88 Allowed 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 31.2 m -118.34 129.28 55.35 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.817 0.341 . . . . 0.0 110.131 178.268 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 73.0 mt -111.79 137.64 43.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.189 -177.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 61.1 m -102.43 121.72 42.89 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.97 0.414 . . . . 0.0 110.675 -175.069 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.488 HD11 ' HB2' ' A' ' 60' ' ' SER . 3.7 tt -123.33 148.41 27.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.907 -175.787 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.621 ' HB3' HE22 ' A' ' 57' ' ' GLN . 32.7 t-80 -92.79 135.93 25.56 Favored Pre-proline 0 C--N 1.322 -0.616 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 -177.819 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.45 ' HD2' ' CD2' ' A' ' 55' ' ' HIS . 67.2 Cg_exo -40.35 -38.11 2.22 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 124.027 3.151 . . . . 0.0 115.211 -177.009 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.621 HE22 ' HB3' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -71.42 -6.2 38.52 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 121.038 0.447 . . . . 0.0 112.14 -175.795 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.421 ' HB2' ' O ' ' A' ' 55' ' ' HIS . 2.4 m120 -66.35 118.04 49.54 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.744 -177.018 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.432 ' O ' ' HG3' ' A' ' 63' ' ' GLN . 17.8 Cg_endo -61.21 -22.74 75.54 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.387 2.058 . . . . 0.0 110.468 173.441 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.488 ' HB2' HD11 ' A' ' 54' ' ' ILE . 0.8 OUTLIER -58.43 -38.45 77.47 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.273 176.06 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.654 HD13 HD21 ' A' ' 45' ' ' LEU . 41.4 tp -78.56 -35.57 45.79 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.147 -178.085 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.3 m -57.74 -46.42 84.48 Favored 'General case' 0 C--O 1.238 0.456 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 172.082 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.432 ' HG3' ' O ' ' A' ' 59' ' ' PRO . 27.6 mt-30 -60.65 -44.32 96.54 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.311 -0.859 . . . . 0.0 109.842 173.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.525 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 10.5 t-105 -58.51 -48.46 80.75 Favored 'General case' 0 C--O 1.216 -0.698 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.364 -178.091 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -53.55 -39.45 64.74 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 117.953 0.342 . . . . 0.0 111.575 179.507 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -76.36 -42.26 45.31 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-O 121.339 0.59 . . . . 0.0 110.643 177.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 13.0 m170 -66.93 -43.1 84.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.206 -178.279 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.525 ' HG2' ' O ' ' A' ' 64' ' ' TRP . 12.8 pt20 -64.51 -29.71 70.74 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-O 120.836 0.35 . . . . 0.0 110.286 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -63.99 -29.11 70.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.398 178.325 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.3 ptt180 -107.96 10.26 28.42 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 120.693 -0.403 . . . . 0.0 111.147 178.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.476 ' HE3' ' OD1' ' A' ' 20' ' ' ASP . 63.2 mttm -125.68 -164.16 1.28 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.278 175.589 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.1 mp . . . . . 0 N--CA 1.464 0.254 0 O-C-N 123.762 0.664 . . . . 0.0 111.662 -179.739 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.803 ' HA ' ' OE1' ' A' ' 32' ' ' GLN . 38.2 t . . . . . 0 N--CA 1.448 -0.528 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 84.5 m -87.77 117.03 26.32 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.284 -0.871 . . . . 0.0 111.219 -174.083 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.3 p -86.11 -39.47 16.7 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.405 0.621 . . . . 0.0 109.725 172.025 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -88.26 163.55 16.05 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.016 -0.993 . . . . 0.0 110.751 175.161 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.521 HD13 ' HB3' ' A' ' 55' ' ' HIS . 61.1 mt -141.25 140.5 33.92 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.189 -177.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.614 ' CE2' ' HB2' ' A' ' 16' ' ' LYS . 77.2 t80 -83.55 -41.14 18.26 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 178.135 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 17.5 ptm180 48.19 27.3 1.25 Allowed 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.507 1.123 . . . . 0.0 113.997 172.032 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.614 ' HB2' ' CE2' ' A' ' 14' ' ' TYR . 68.3 mttm -123.18 147.89 53.19 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 122.153 -0.342 . . . . 0.0 110.34 178.788 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.416 ' HA ' ' HB2' ' A' ' 60' ' ' SER . 51.0 Cg_exo -55.7 124.45 16.31 Favored 'Trans proline' 0 C--O 1.238 0.481 0 C-N-CA 123.222 2.614 . . . . 0.0 113.365 -178.775 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.78 ' HB3' HD11 ' A' ' 22' ' ' LEU . 87.2 mt -93.52 148.21 22.28 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.338 178.166 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.612 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 11.3 m -89.25 151.25 22.24 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.728 -178.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.506 ' HA ' ' HB2' ' A' ' 23' ' ' LEU . 18.5 m-20 -59.33 -29.29 67.54 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.603 -0.272 . . . . 0.0 111.422 178.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -55.48 -48.88 73.88 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.376 178.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.78 HD11 ' HB3' ' A' ' 18' ' ' LEU . 3.9 pp -77.09 -33.8 56.99 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.932 175.735 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.506 ' HB2' ' HA ' ' A' ' 20' ' ' ASP . 2.2 tp -63.58 -35.83 81.79 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.551 -0.75 . . . . 0.0 112.26 -171.598 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -66.02 -12.18 53.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.934 0.397 . . . . 0.0 111.562 179.475 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.538 ' HE2' ' HA ' ' A' ' 22' ' ' LEU . 53.7 mtmt -96.92 5.94 49.57 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.16 -177.35 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.478 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 12.3 t -74.25 130.19 36.11 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.865 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.797 175.234 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.518 HD13 ' HA ' ' A' ' 48' ' ' ALA . 16.0 pt -105.32 -27.23 3.15 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.931 -178.423 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.45 ' HG2' HG13 ' A' ' 27' ' ' ILE . 14.3 mm100 -137.82 134.26 34.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.511 -179.054 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 52.3 t -107.99 115.78 49.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 170.183 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -125.32 147.96 48.92 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.396 0.617 . . . . 0.0 111.779 -173.148 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 44.7 tp -111.09 108.83 18.66 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.498 -0.773 . . . . 0.0 109.928 176.143 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.803 ' OE1' ' HA ' ' A' ' 9' ' ' CYS . 8.8 tt0 -72.45 128.5 35.79 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 173.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -99.42 158.11 15.95 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 120.668 0.27 . . . . 0.0 110.692 -175.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.16 -11.77 58.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.113 -0.494 . . . . 0.0 112.026 -174.318 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -143.02 -6.99 0.83 Allowed 'General case' 0 C--N 1.317 -0.847 0 CA-C-O 121.284 0.564 . . . . 0.0 110.09 177.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -87.19 109.35 3.44 Favored Glycine 0 N--CA 1.448 -0.506 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.985 -178.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.6 t70 73.32 -53.45 0.7 Allowed 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 123.769 0.828 . . . . 0.0 110.323 -178.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 31.7 t -117.12 -165.83 1.11 Allowed 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.154 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 36.5 p-80 -124.51 28.47 6.6 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.546 0.573 . . . . 0.0 112.546 -174.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.5 pp -159.38 155.43 26.69 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 110.409 -0.219 . . . . 0.0 110.409 176.381 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.597 ' HA ' ' O ' ' A' ' 32' ' ' GLN . 62.2 tt0 -93.89 131.71 39.04 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.909 0.385 . . . . 0.0 110.817 -176.161 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.58 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -159.84 134.73 7.9 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.687 176.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.5 ' CB ' ' HG ' ' A' ' 61' ' ' LEU . 64.1 m-85 -84.89 103.1 13.65 Favored 'General case' 0 C--N 1.317 -0.848 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 172.066 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 85.1 t -99.84 134.9 37.64 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.931 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.401 -173.563 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.565 HD12 HD12 ' A' ' 18' ' ' LEU . 60.7 mt -105.49 119.54 39.35 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.889 -177.149 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -106.71 109.07 20.88 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.773 -171.371 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.478 ' HA ' ' HA ' ' A' ' 26' ' ' VAL . 7.0 mp -87.2 163.08 17.12 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 175.71 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.518 ' HA ' HD13 ' A' ' 27' ' ' ILE . . . -57.98 -25.48 61.09 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.853 -0.612 . . . . 0.0 112.225 -178.608 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -128.79 3.87 5.44 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.964 -0.562 . . . . 0.0 112.398 -170.591 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -167.37 170.8 11.15 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.861 -176.187 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 15.5 m -139.91 135.2 32.61 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.829 0.347 . . . . 0.0 110.725 -179.037 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 81.4 mt -124.77 129.3 73.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.57 -179.617 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 34.3 m -102.05 121.52 42.33 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.16 0.505 . . . . 0.0 110.645 -174.024 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 43.8 mt -122.47 138.91 51.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.019 -179.46 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.521 ' HB3' HD13 ' A' ' 13' ' ' LEU . 3.7 p80 -86.23 157.08 56.84 Favored Pre-proline 0 C--N 1.326 -0.429 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 177.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.58 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 19.2 Cg_endo -58.92 153.14 53.03 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.282 1.988 . . . . 0.0 111.421 175.609 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 32.3 mm-40 65.93 64.54 0.55 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.588 0.709 . . . . 0.0 110.501 -174.176 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -141.47 130.17 12.32 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 115.155 -0.93 . . . . 0.0 109.454 177.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -51.12 -31.76 36.95 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 123.54 2.827 . . . . 0.0 113.61 -177.088 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.416 ' HB2' ' HA ' ' A' ' 17' ' ' PRO . 4.2 t -70.51 -43.0 70.56 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.639 0.257 . . . . 0.0 110.808 -176.721 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.5 ' HG ' ' CB ' ' A' ' 43' ' ' PHE . 0.2 OUTLIER -70.76 -41.8 71.28 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 -176.044 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 27.9 t -58.54 -48.5 80.66 Favored 'General case' 0 C--O 1.24 0.576 0 CA-C-O 121.258 0.551 . . . . 0.0 109.938 177.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -60.34 -37.03 79.37 Favored 'General case' 0 C--O 1.224 -0.269 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.485 176.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.449 ' CE3' ' HG ' ' A' ' 23' ' ' LEU . 5.8 t-105 -68.97 -28.3 66.49 Favored 'General case' 0 C--O 1.217 -0.62 0 C-N-CA 121.06 -0.256 . . . . 0.0 111.313 -177.317 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -61.47 -50.7 71.69 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.17 -0.612 . . . . 0.0 110.074 173.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -64.33 -45.75 86.53 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-O 121.395 0.617 . . . . 0.0 110.627 176.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.535 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 12.2 m170 -68.72 -40.73 79.76 Favored 'General case' 0 C--O 1.217 -0.623 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.984 -175.279 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -64.17 -32.6 74.24 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.13 0.49 . . . . 0.0 110.227 -177.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -61.25 -32.71 72.51 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.838 176.383 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 -115.04 30.53 7.29 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.836 179.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.535 ' HB2' ' O ' ' A' ' 67' ' ' HIS . 7.5 tppt? -141.79 -155.49 0.59 Allowed 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 -178.06 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.495 ' H ' ' HG3' ' A' ' 71' ' ' LYS . 1.5 mm? . . . . . 0 C--O 1.233 0.199 0 C-N-CA 123.932 0.893 . . . . 0.0 113.312 -174.19 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 11.2 t . . . . . 0 N--CA 1.448 -0.538 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 59.6 m -71.35 117.46 12.91 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.894 -177.396 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 15.3 p -102.59 -3.36 26.84 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.683 0.754 . . . . 0.0 109.378 172.701 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.407 HE21 ' H ' ' A' ' 12' ' ' GLN . 0.3 OUTLIER -123.8 159.71 28.95 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.706 -1.133 . . . . 0.0 109.279 175.297 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 88.3 mt -134.76 142.77 46.82 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.583 0.23 . . . . 0.0 110.513 -176.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -65.34 -44.33 88.09 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.886 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 51.1 mtp180 66.3 7.65 5.06 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.579 -0.737 . . . . 0.0 112.503 172.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.447 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 72.6 mmtt -124.28 142.06 39.09 Favored Pre-proline 0 C--N 1.323 -0.555 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 179.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' A' ' 16' ' ' LYS . 32.3 Cg_exo -62.71 128.91 24.61 Favored 'Trans proline' 0 N--CA 1.463 -0.295 0 C-N-CA 122.837 2.358 . . . . 0.0 111.701 177.423 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.665 ' HB3' HD11 ' A' ' 22' ' ' LEU . 82.8 mt -77.45 156.32 31.16 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.055 -176.631 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.552 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 48.9 m -72.49 135.93 45.81 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.14 176.042 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -62.88 -28.66 70.19 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 121.124 0.488 . . . . 0.0 110.581 -176.46 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.462 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 27.1 mtpp -60.11 -49.24 78.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.861 178.735 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.665 HD11 ' HB3' ' A' ' 18' ' ' LEU . 4.4 pp -75.97 -27.58 57.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.973 0.416 . . . . 0.0 110.608 175.724 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.644 ' HG ' ' CZ3' ' A' ' 64' ' ' TRP . 14.5 tp -67.76 -37.34 81.97 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.104 -174.324 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.697 ' HB3' ' HD3' ' A' ' 71' ' ' LYS . 14.0 ptm180 -66.37 -5.7 11.68 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 121.041 0.448 . . . . 0.0 111.37 179.09 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.6 mtpt -105.32 7.29 33.33 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.738 -179.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.702 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 43.4 t -82.42 130.82 35.12 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.01 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 170.586 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 14.6 pt -99.2 -36.38 5.41 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.344 -175.408 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -142.68 157.52 44.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.831 0.348 . . . . 0.0 110.618 -177.191 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 4.5 p -111.84 115.86 50.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 172.28 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.412 ' H ' ' HG2' ' A' ' 30' ' ' GLU . 10.1 pt-20 -108.16 117.33 33.85 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.602 0.715 . . . . 0.0 111.388 -173.649 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 48.4 tp -76.86 118.66 19.68 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.75 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -79.92 110.71 15.55 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.241 172.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -80.53 147.2 30.94 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 179.245 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.635 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . . . -77.18 28.15 0.14 Allowed 'General case' 0 C--O 1.236 0.384 0 N-CA-C 112.907 0.706 . . . . 0.0 112.907 -167.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.431 ' H ' ' H ' ' A' ' 36' ' ' GLY . 12.5 t70 -177.39 -14.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.597 0.236 . . . . 0.0 111.038 -178.812 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.431 ' H ' ' H ' ' A' ' 35' ' ' ASP . . . -62.14 -74.39 0.41 Allowed Glycine 0 C--N 1.334 0.427 0 C-N-CA 121.315 -0.469 . . . . 0.0 113.099 -178.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -84.16 -44.6 13.82 Favored 'General case' 0 CA--C 1.516 -0.331 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 179.067 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 94.8 m -150.92 -176.55 5.58 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.329 -1.305 . . . . 0.0 108.632 172.469 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 5.1 p-80 -78.24 173.75 11.94 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.754 -0.379 . . . . 0.0 110.091 174.487 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.2 tm? 75.92 121.6 0.05 OUTLIER 'General case' 0 N--CA 1.471 0.621 0 O-C-N 124.241 0.963 . . . . 0.0 110.373 -179.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.635 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 9.8 tt0 -94.31 131.25 40.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.499 -179.41 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.505 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -147.91 163.03 38.06 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.946 -179.211 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.455 ' O ' ' HB ' ' A' ' 54' ' ' ILE . 2.3 m-85 -109.27 103.7 12.7 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 174.489 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.447 HG13 ' O ' ' A' ' 52' ' ' ILE . 57.9 t -99.68 131.17 47.57 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.696 -171.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 64.3 mt -94.41 124.37 38.39 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.24 0.543 . . . . 0.0 110.569 -178.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 10.8 t60 -102.18 103.59 14.12 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.989 -172.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.702 ' HA ' ' HA ' ' A' ' 26' ' ' VAL . 6.0 mp -79.97 161.96 25.19 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 172.096 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.13 -13.85 20.42 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -178.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -109.99 -42.73 4.14 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.155 -177.648 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.7 168.86 24.98 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.66 -0.245 . . . . 0.0 111.123 -174.391 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.1 m -110.76 157.15 20.09 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.032 0.444 . . . . 0.0 111.757 -176.564 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.447 ' O ' HG13 ' A' ' 44' ' ' VAL . 62.2 mt -125.71 143.9 37.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.127 175.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 25.1 m -99.93 121.52 41.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.025 0.44 . . . . 0.0 110.501 -171.46 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.455 ' HB ' ' O ' ' A' ' 43' ' ' PHE . 5.8 mt -126.44 144.74 35.58 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.722 -174.391 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 20.9 t-80 -65.58 129.46 94.36 Favored Pre-proline 0 CA--C 1.531 0.242 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.689 176.115 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.505 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 72.7 Cg_exo -48.85 -42.61 37.09 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.911 2.408 . . . . 0.0 113.11 -178.694 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 26.1 mm-40 -93.49 78.78 4.36 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 174.183 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -140.31 131.41 14.08 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.905 179.493 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -52.91 -34.85 68.31 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 123.059 2.506 . . . . 0.0 112.982 -177.188 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.4 t -63.75 -30.23 71.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.281 -178.309 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.46 ' O ' ' HB3' ' A' ' 64' ' ' TRP . 0.4 OUTLIER -79.99 -43.61 21.69 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 -176.913 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.0 p -66.59 -44.69 81.5 Favored 'General case' 0 C--O 1.242 0.702 0 CA-C-O 121.684 0.754 . . . . 0.0 110.946 178.341 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -60.56 -28.44 68.46 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.09 175.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.649 ' CH2' HD11 ' A' ' 72' ' ' LEU . 13.1 t-105 -61.62 -46.07 91.38 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.803 178.473 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -53.16 -41.11 64.86 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.843 0.354 . . . . 0.0 110.541 177.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -76.21 -38.87 55.89 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.054 0.454 . . . . 0.0 111.103 179.368 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.669 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 8.9 m170 -70.42 -45.85 65.09 Favored 'General case' 0 C--O 1.219 -0.539 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.408 -177.612 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -65.38 -29.72 70.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.992 0.425 . . . . 0.0 110.173 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -57.65 -34.73 69.65 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.974 175.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 -114.24 27.29 9.6 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.251 -178.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.697 ' HD3' ' HB3' ' A' ' 24' ' ' ARG . 4.5 ttmm -146.54 -158.16 0.88 Allowed 'General case' 0 C--N 1.328 -0.368 0 O-C-N 122.294 -0.254 . . . . 0.0 110.733 -174.599 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.649 HD11 ' CH2' ' A' ' 64' ' ' TRP . 6.9 mp . . . . . 0 C--N 1.342 0.245 0 CA-C-O 120.777 0.322 . . . . 0.0 110.901 -175.263 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 92.2 m . . . . . 0 N--CA 1.448 -0.55 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.462 ' HB2' ' OE1' ' A' ' 32' ' ' GLN . 62.2 m -64.64 129.69 40.76 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.061 178.69 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 13.8 t -128.5 12.3 6.41 Favored 'General case' 0 C--N 1.312 -1.055 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 171.165 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -144.81 146.08 31.94 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 113.991 -1.459 . . . . 0.0 109.552 -179.558 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 68.5 mt -132.48 122.5 24.99 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 179.193 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -59.26 -50.68 73.06 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.752 -176.038 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.411 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 40.9 ttp180 63.93 25.82 14.04 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.681 0.753 . . . . 0.0 111.091 174.775 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.556 ' HD2' ' HD2' ' A' ' 17' ' ' PRO . 22.2 mmtp -140.06 154.9 70.78 Favored Pre-proline 0 C--N 1.319 -0.743 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.051 177.725 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.723 ' HA ' ' OG ' ' A' ' 60' ' ' SER . 31.5 Cg_endo -64.18 142.14 78.94 Favored 'Trans proline' 0 N--CA 1.462 -0.327 0 C-N-CA 122.666 2.244 . . . . 0.0 112.099 176.352 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 87.4 mt -98.13 167.12 11.07 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.356 177.408 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.669 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 16.5 m -99.09 137.17 38.0 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.806 -179.043 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -63.28 -27.4 69.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.575 -179.007 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 38.4 mttm -54.93 -49.72 70.64 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.021 0.439 . . . . 0.0 109.852 178.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.669 ' HG ' ' O ' ' A' ' 19' ' ' SER . 4.0 pp -76.16 -36.36 58.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.677 175.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.438 ' HG ' ' CZ3' ' A' ' 64' ' ' TRP . 6.7 tp -63.21 -36.96 85.38 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.675 -0.693 . . . . 0.0 112.138 -170.183 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.3 ptp180 -64.7 -11.81 39.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.872 0.368 . . . . 0.0 111.275 179.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -101.28 13.17 35.94 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.264 -177.309 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.794 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 20.3 t -72.01 147.62 10.39 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.695 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.486 172.699 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 13.3 pt -114.13 -35.76 2.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 C-N-CA 121.151 -0.22 . . . . 0.0 111.346 179.356 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 -141.41 157.62 44.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.795 0.331 . . . . 0.0 110.762 -178.35 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.746 HG21 HE22 ' A' ' 68' ' ' GLN . 46.9 t -119.36 120.83 64.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 174.735 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.407 ' CD ' ' HD1' ' A' ' 46' ' ' HIS . 0.1 OUTLIER -124.11 111.25 15.71 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.336 -171.703 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.534 ' H ' HD23 ' A' ' 31' ' ' LEU . 2.0 pt? -90.22 130.05 36.4 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.361 0.601 . . . . 0.0 109.94 176.202 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.535 ' O ' ' HA ' ' A' ' 41' ' ' GLN . 58.2 tt0 -77.44 105.48 8.6 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.596 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -73.3 134.92 44.34 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 176.165 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.528 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . . . -67.85 7.7 0.49 Allowed 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 114.12 1.155 . . . . 0.0 114.12 -167.236 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -175.66 -21.68 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 178.499 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -70.92 -33.33 65.84 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.882 -0.675 . . . . 0.0 111.877 174.059 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -110.72 -50.47 2.95 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.151 0.501 . . . . 0.0 110.301 179.004 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 19.6 t -168.43 161.35 11.78 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.827 -1.175 . . . . 0.0 107.827 -178.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 15.2 t60 -74.64 78.41 2.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 118.754 0.706 . . . . 0.0 112.22 -172.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.508 ' O ' ' HA ' ' A' ' 34' ' ' ALA . 62.5 tp 174.09 153.56 0.11 Allowed 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 124.328 1.051 . . . . 0.0 108.452 171.696 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.535 ' HA ' ' O ' ' A' ' 32' ' ' GLN . 29.8 tt0 -113.1 121.9 45.94 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 176.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.499 ' HA ' ' HG3' ' A' ' 56' ' ' PRO . . . -155.55 176.16 12.96 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 -178.074 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.427 ' HB2' HG22 ' A' ' 54' ' ' ILE . 74.1 m-85 -126.44 112.05 15.16 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.258 -0.428 . . . . 0.0 109.878 175.726 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 11.4 t -104.33 132.62 50.48 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-O 121.026 0.441 . . . . 0.0 110.476 -175.132 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 70.2 mt -104.58 119.0 37.98 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.889 -179.626 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.407 ' HD1' ' CD ' ' A' ' 30' ' ' GLU . 3.8 t60 -104.42 103.53 13.25 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.418 -168.429 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.794 ' HA ' ' HA ' ' A' ' 26' ' ' VAL . 6.5 mp -83.3 159.55 21.88 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 173.303 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.53 -3.66 9.32 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.646 0.26 . . . . 0.0 111.321 178.305 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.429 ' HB2' ' HD3' ' A' ' 50' ' ' ARG . 0.2 OUTLIER -109.77 -47.75 3.31 Favored 'General case' 0 N--CA 1.446 -0.656 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 -179.544 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.429 ' HD3' ' HB2' ' A' ' 49' ' ' GLN . 0.0 OUTLIER -156.88 174.67 15.16 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.137 -177.377 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.2 m -124.1 135.63 53.68 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.657 0.265 . . . . 0.0 110.745 -178.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 4.9 mp -107.88 136.44 43.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 174.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 44.4 t -101.7 127.84 48.28 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.64 0.733 . . . . 0.0 110.132 -178.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.427 HG22 ' HB2' ' A' ' 43' ' ' PHE . 0.2 OUTLIER -111.43 134.72 52.88 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.872 0 CA-C-N 115.098 -0.955 . . . . 0.0 111.166 -173.907 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.591 ' O ' ' HB2' ' A' ' 58' ' ' ASN . 13.5 t-80 -63.3 132.87 95.26 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.344 172.323 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.499 ' HG3' ' HA ' ' A' ' 42' ' ' ALA . 50.3 Cg_exo -53.76 141.48 65.05 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 121.926 1.75 . . . . 0.0 111.789 178.557 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.498 ' HB2' ' O ' ' A' ' 56' ' ' PRO . 1.7 mp0 74.95 17.06 2.82 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 123.428 0.691 . . . . 0.0 111.181 -175.641 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.591 ' HB2' ' O ' ' A' ' 55' ' ' HIS . 6.7 t30 -76.26 130.57 77.2 Favored Pre-proline 0 C--O 1.235 0.301 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 174.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.516 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 3.9 Cg_endo -46.3 -47.75 14.5 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 123.693 2.929 . . . . 0.0 113.045 -177.078 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.723 ' OG ' ' HA ' ' A' ' 17' ' ' PRO . 66.3 m -63.02 -19.43 64.36 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 113.186 0.809 . . . . 0.0 113.186 -176.239 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.91 -39.98 29.2 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 179.742 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 40.9 t -69.39 -50.92 41.58 Favored 'General case' 0 C--O 1.244 0.794 0 CA-C-O 121.375 0.607 . . . . 0.0 110.812 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.516 ' HG2' ' O ' ' A' ' 59' ' ' PRO . 2.7 pt20 -61.17 -27.52 68.47 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.967 177.066 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.52 ' HB2' ' O ' ' A' ' 60' ' ' SER . 5.4 t-105 -61.91 -39.07 90.74 Favored 'General case' 0 C--O 1.22 -0.48 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.342 179.06 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.638 ' HA ' ' OE1' ' A' ' 68' ' ' GLN . 10.4 m-85 -59.05 -35.71 73.78 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.995 0.426 . . . . 0.0 110.812 176.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.424 ' O ' ' HB3' ' A' ' 69' ' ' GLU . 37.1 mt-10 -74.79 -46.89 33.92 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-O 121.708 0.766 . . . . 0.0 110.907 175.746 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.583 ' HB3' ' HE2' ' A' ' 71' ' ' LYS . 16.8 m170 -68.22 -41.39 81.36 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.227 -175.423 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.746 HE22 HG21 ' A' ' 29' ' ' VAL . 2.0 pt20 -67.23 -26.86 66.8 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 -179.627 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.424 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 8.2 tp10 -60.95 -29.57 69.71 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.151 175.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.413 ' HG2' ' O ' ' A' ' 67' ' ' HIS . 17.4 ptp180 -114.58 12.17 17.2 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -177.046 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.583 ' HE2' ' HB3' ' A' ' 67' ' ' HIS . 61.8 mttm -130.57 -156.17 0.74 Allowed 'General case' 0 N--CA 1.469 0.479 0 O-C-N 122.111 -0.368 . . . . 0.0 110.977 177.726 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.0 mp . . . . . 0 CA--C 1.513 -0.451 0 N-CA-C 114.253 1.205 . . . . 0.0 114.253 175.772 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.452 ' HA ' ' HB2' ' A' ' 38' ' ' CYS . 33.1 t . . . . . 0 C--O 1.233 0.219 0 N-CA-C 106.387 -1.709 . . . . 0.0 106.387 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.432 ' O ' HD11 ' A' ' 40' ' ' LEU . 8.3 t -59.11 118.38 5.79 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 113.207 -1.815 . . . . 0.0 110.638 -174.186 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.9 p -85.08 -56.35 3.6 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.323 -179.314 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.419 ' NE2' ' SG ' ' A' ' 10' ' ' CYS . 0.2 OUTLIER -76.54 137.35 39.53 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.549 0.69 . . . . 0.0 111.401 178.062 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.452 HD13 ' HA ' ' A' ' 55' ' ' HIS . 83.2 mt -119.55 144.84 46.84 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 -177.698 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -76.34 -34.72 58.98 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.574 -0.284 . . . . 0.0 110.836 -175.52 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.772 ' HG3' ' H ' ' A' ' 16' ' ' LYS . 5.7 tpt180 63.58 -177.42 0.15 Allowed 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 -176.846 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.772 ' H ' ' HG3' ' A' ' 15' ' ' ARG . 36.4 mtmm 68.41 166.86 0.12 Allowed Pre-proline 0 N--CA 1.466 0.372 0 CA-C-O 120.915 0.388 . . . . 0.0 111.441 177.148 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.5 ' HA ' ' HB2' ' A' ' 60' ' ' SER . 1.7 Cg_endo -84.3 138.33 7.55 Favored 'Trans proline' 0 N--CA 1.454 -0.803 0 C-N-CA 122.754 2.303 . . . . 0.0 111.259 170.486 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.425 ' HB2' HD21 ' A' ' 23' ' ' LEU . 89.3 mt -80.5 144.26 32.66 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.943 -0.392 . . . . 0.0 109.943 178.198 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.6 ' HB2' ' HG ' ' A' ' 22' ' ' LEU . 48.3 m -61.48 147.45 45.22 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.909 179.921 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -56.76 -37.21 70.75 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.879 -177.51 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -56.99 -44.01 82.3 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.955 177.759 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.6 ' HG ' ' HB2' ' A' ' 19' ' ' SER . 1.0 OUTLIER -73.38 -43.47 60.54 Favored 'General case' 0 CA--C 1.512 -0.493 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 -179.709 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.514 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 33.7 mt -58.53 -49.13 78.51 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 115.087 -0.961 . . . . 0.0 111.95 -174.214 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -61.71 -9.45 6.37 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -177.67 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 47.3 mtmt -99.52 -7.46 25.92 Favored 'General case' 0 C--O 1.236 0.395 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.816 179.623 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.679 HG22 ' HG ' ' A' ' 47' ' ' LEU . 39.9 t -74.82 133.39 31.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 175.608 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 19.8 pt -110.14 -22.72 4.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 112.445 0.535 . . . . 0.0 112.445 -173.519 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 70.2 mm-40 -149.16 156.98 43.0 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.964 0.411 . . . . 0.0 111.651 -179.462 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 43.8 t -112.94 128.5 69.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.401 177.33 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -119.16 139.37 51.93 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.937 0.398 . . . . 0.0 110.655 -176.361 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.461 HD13 ' CZ ' ' A' ' 43' ' ' PHE . 42.3 tp -105.13 119.43 39.02 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.15 0.5 . . . . 0.0 111.304 -179.285 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -87.02 104.7 16.56 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 170.609 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -74.28 144.6 44.52 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.778 -176.71 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.716 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . . . -78.14 5.76 9.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.515 -176.833 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -157.77 -30.79 0.08 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.966 179.612 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -71.0 3.29 13.75 Favored Glycine 0 CA--C 1.521 0.468 0 C-N-CA 120.996 -0.621 . . . . 0.0 113.383 -179.822 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -165.29 -65.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.408 0.623 . . . . 0.0 109.979 178.198 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.452 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 11.5 t -111.29 164.52 12.82 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.176 -0.92 . . . . 0.0 109.363 -175.336 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.3 p-80 -91.5 30.04 1.38 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.078 0.465 . . . . 0.0 111.782 179.873 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.432 HD11 ' O ' ' A' ' 10' ' ' CYS . 1.0 OUTLIER -158.34 151.7 23.11 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 171.493 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.716 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 55.7 tt0 -98.44 143.85 28.44 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.952 0.406 . . . . 0.0 111.078 -175.331 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -153.84 152.13 30.32 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.122 176.876 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.531 ' CB ' ' HG ' ' A' ' 61' ' ' LEU . 16.5 m-85 -111.5 106.61 15.54 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 172.729 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.4 t -105.97 126.84 61.42 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.406 -170.56 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.7 mt -95.81 131.14 42.43 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.478 -176.791 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 20.3 t-80 -108.2 112.01 24.29 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.276 0.56 . . . . 0.0 110.99 -177.121 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.679 ' HG ' HG22 ' A' ' 26' ' ' VAL . 4.4 mp -89.22 164.83 14.8 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 172.88 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.55 0.45 12.54 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.043 0.449 . . . . 0.0 110.814 178.569 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -117.18 -28.47 6.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.122 179.432 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.5 ptm180 -165.81 175.54 8.64 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.885 -0.326 . . . . 0.0 111.467 -168.434 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.8 m -127.09 139.03 53.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 109.973 177.423 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 63.4 mt -125.87 136.76 59.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 -179.708 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 66.9 m -100.07 121.06 40.8 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.305 0.574 . . . . 0.0 110.472 -174.797 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.516 ' HB ' ' O ' ' A' ' 43' ' ' PHE . 5.4 mt -111.2 141.38 26.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.982 -177.328 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.452 ' HA ' HD13 ' A' ' 13' ' ' LEU . 50.2 t-80 -62.48 127.88 90.64 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.677 173.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -46.99 -58.83 1.5 Allowed 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 123.045 2.497 . . . . 0.0 113.318 -174.903 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -77.65 72.86 4.21 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.131 0.491 . . . . 0.0 110.077 176.669 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.403 ' HB2' ' O ' ' A' ' 55' ' ' HIS . 3.2 m-20 -131.35 137.47 30.61 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.118 177.343 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -61.18 -30.32 88.46 Favored 'Trans proline' 0 N--CA 1.463 -0.284 0 C-N-CA 122.58 2.187 . . . . 0.0 111.708 176.954 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.5 ' HB2' ' HA ' ' A' ' 17' ' ' PRO . 27.0 t -66.17 -32.59 74.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.846 -175.635 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.531 ' HG ' ' CB ' ' A' ' 43' ' ' PHE . 1.0 OUTLIER -80.35 -46.47 16.03 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.287 -176.873 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.3 p -64.22 -47.65 78.87 Favored 'General case' 0 C--O 1.248 0.978 0 CA-C-O 121.653 0.739 . . . . 0.0 110.674 179.919 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -61.07 -28.7 69.26 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.303 177.615 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.514 ' CZ3' ' HB3' ' A' ' 23' ' ' LEU . 23.2 t-105 -62.98 -38.74 92.36 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.676 -179.075 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -54.41 -42.35 70.36 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.143 0.497 . . . . 0.0 110.143 176.549 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.475 ' O ' ' HB3' ' A' ' 69' ' ' GLU . 47.3 mt-10 -75.36 -41.35 56.66 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 121.326 0.584 . . . . 0.0 111.183 177.211 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.47 ' HB2' ' HA ' ' A' ' 64' ' ' TRP . 9.5 m170 -63.69 -45.48 89.84 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.601 -177.279 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.502 ' HG2' ' O ' ' A' ' 64' ' ' TRP . 11.1 pt20 -68.07 -26.32 65.78 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.791 0.329 . . . . 0.0 110.269 -179.851 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.475 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 42.0 tt0 -58.01 -34.58 70.16 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.294 177.244 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.4 ptt180 -105.42 10.97 33.15 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 178.447 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 62.9 mttm -127.13 -159.18 0.92 Allowed 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 175.781 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.9 mp . . . . . 0 C--N 1.342 0.26 0 O-C-N 123.511 0.507 . . . . 0.0 111.533 -178.317 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 34.5 t . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 121.603 0.716 . . . . 0.0 109.679 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 83.0 m -76.24 118.95 19.49 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.831 -179.9 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -95.33 2.12 54.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.436 0.636 . . . . 0.0 110.573 173.403 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -128.13 161.76 28.49 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.736 174.022 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 95.4 mt -137.78 139.91 40.3 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.319 -176.623 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.439 ' CE2' ' HB2' ' A' ' 16' ' ' LYS . 61.4 t80 -66.68 -44.0 82.97 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.825 177.916 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.435 HH11 ' HD2' ' A' ' 15' ' ' ARG . 62.3 mtt85 73.37 -38.1 0.4 Allowed 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 115.617 -0.719 . . . . 0.0 112.918 172.647 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.439 ' HB2' ' CE2' ' A' ' 14' ' ' TYR . 65.4 mttm -73.9 154.09 88.96 Favored Pre-proline 0 C--N 1.323 -0.585 0 N-CA-C 110.389 -0.226 . . . . 0.0 110.389 176.176 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_exo -70.85 143.78 46.49 Favored 'Trans proline' 0 N--CA 1.459 -0.515 0 C-N-CA 122.53 2.154 . . . . 0.0 111.836 176.148 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.904 ' HB3' HD11 ' A' ' 22' ' ' LEU . 70.1 mt -89.34 136.98 32.72 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.497 179.305 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.678 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 20.2 m -66.55 142.42 57.51 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.72 178.985 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.551 ' OD1' ' HE3' ' A' ' 71' ' ' LYS . 20.5 t70 -60.47 -29.52 69.09 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.168 0.508 . . . . 0.0 111.063 -176.555 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -56.78 -46.75 81.31 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.557 178.181 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.904 HD11 ' HB3' ' A' ' 18' ' ' LEU . 4.2 pp -75.85 -29.36 58.54 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.818 176.958 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.511 HD12 ' HA ' ' A' ' 20' ' ' ASP . 69.3 mt -60.39 -45.43 93.57 Favored 'General case' 0 C--O 1.223 -0.34 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.624 -177.481 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -60.96 0.03 0.26 Allowed 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 -178.197 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.619 ' NZ ' ' HA ' ' A' ' 22' ' ' LEU . 35.9 mtmm -113.54 -3.52 13.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.59 0.233 . . . . 0.0 111.164 177.254 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.732 HG22 ' HG ' ' A' ' 47' ' ' LEU . 22.4 t -76.72 94.63 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.452 0.644 . . . . 0.0 109.38 -179.594 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.425 ' CD1' ' HB2' ' A' ' 48' ' ' ALA . 42.0 pt -76.66 -25.34 16.0 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.885 0 CA-C-N 115.235 -0.893 . . . . 0.0 112.303 -169.868 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -137.61 146.18 43.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.867 0.365 . . . . 0.0 111.56 -176.386 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.6 t -113.85 120.21 63.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 174.654 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -112.07 132.99 54.5 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.018 0.437 . . . . 0.0 111.006 -171.515 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 41.2 tp -97.67 105.65 17.83 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.123 0.487 . . . . 0.0 110.03 176.682 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.452 ' O ' ' HA ' ' A' ' 41' ' ' GLN . 39.0 tt0 -71.04 104.43 3.0 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.31 174.758 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -77.48 141.67 39.54 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.498 -179.195 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.477 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . . . -82.24 4.45 23.52 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.542 -179.253 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -139.8 -42.42 0.44 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.994 179.82 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -67.9 -21.36 73.27 Favored Glycine 0 C--N 1.332 0.331 0 C-N-CA 121.053 -0.594 . . . . 0.0 113.196 -177.34 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -141.95 -65.48 0.42 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.373 0.606 . . . . 0.0 110.164 -178.005 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 17.2 t -99.47 -171.03 1.99 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.485 -174.388 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 45.3 p-80 -106.0 -4.65 20.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.308 0.575 . . . . 0.0 109.577 172.816 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.4 tt -128.42 138.92 52.55 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.213 -0.903 . . . . 0.0 108.744 -179.669 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.477 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 29.0 tt0 -94.58 131.37 40.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.133 0.492 . . . . 0.0 111.23 -177.818 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.707 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -142.25 170.36 15.86 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.055 -177.791 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.402 ' O ' ' HB ' ' A' ' 54' ' ' ILE . 2.7 m-85 -121.7 103.49 8.92 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 173.663 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.464 HG13 ' O ' ' A' ' 52' ' ' ILE . 73.8 t -102.64 138.92 25.1 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 CA-C-O 121.195 0.521 . . . . 0.0 111.125 -171.704 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.526 HD12 HD12 ' A' ' 18' ' ' LEU . 72.4 mt -105.7 125.27 50.79 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.642 -177.299 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.409 ' HD2' ' HA ' ' A' ' 48' ' ' ALA . 0.6 OUTLIER -105.5 111.97 24.88 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.668 -175.911 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.815 ' HB2' ' HB2' ' A' ' 50' ' ' ARG . 6.1 mp -96.04 12.09 31.78 Favored 'General case' 0 CA--C 1.506 -0.725 0 CA-C-N 115.193 -0.912 . . . . 0.0 109.011 179.301 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.425 ' HB2' ' CD1' ' A' ' 27' ' ' ILE . . . 80.96 -65.32 0.15 Allowed 'General case' 0 C--N 1.305 -1.36 0 CA-C-N 112.614 -2.085 . . . . 0.0 109.973 172.116 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -79.51 -22.09 44.43 Favored 'General case' 0 C--N 1.311 -1.105 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 173.607 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.815 ' HB2' ' HB2' ' A' ' 47' ' ' LEU . 72.9 mtt180 -120.1 154.85 34.1 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 115.604 -0.726 . . . . 0.0 111.659 178.599 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.1 m -142.23 124.1 15.22 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 173.613 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.464 ' O ' HG13 ' A' ' 44' ' ' VAL . 67.8 mt -123.14 140.37 47.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.252 -175.954 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.415 ' HA ' HG22 ' A' ' 44' ' ' VAL . 63.1 m -101.35 121.51 42.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.543 0.687 . . . . 0.0 111.184 -173.185 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.402 ' HB ' ' O ' ' A' ' 43' ' ' PHE . 49.0 mt -130.7 148.44 33.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.04 -0.982 . . . . 0.0 109.404 -178.755 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 5.3 p80 -99.7 155.89 35.98 Favored Pre-proline 0 C--N 1.328 -0.336 0 O-C-N 121.781 -0.574 . . . . 0.0 110.161 178.044 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.707 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 62.2 Cg_exo -50.57 147.24 17.85 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 123.202 2.601 . . . . 0.0 112.638 177.258 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 67.4 mt-30 70.95 29.54 2.99 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.28 175.843 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -97.47 134.78 22.18 Favored Pre-proline 0 C--N 1.326 -0.415 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 171.696 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.42 ' O ' ' HG3' ' A' ' 63' ' ' GLN . 73.1 Cg_exo -49.26 -36.95 38.76 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 123.061 2.508 . . . . 0.0 113.148 -177.665 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.3 t -67.84 -37.87 82.45 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.726 -0.216 . . . . 0.0 111.029 -176.227 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.28 -47.04 59.34 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 -176.902 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 25.1 m -61.29 -48.14 82.75 Favored 'General case' 0 C--O 1.242 0.68 0 CA-C-O 121.043 0.449 . . . . 0.0 111.222 178.997 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.42 ' HG3' ' O ' ' A' ' 59' ' ' PRO . 46.2 mt-30 -61.57 -33.16 73.4 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.375 178.833 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.445 ' CZ2' ' HB ' ' A' ' 26' ' ' VAL . 14.1 t-105 -65.67 -35.98 82.34 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.696 179.343 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -53.44 -46.22 69.75 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.902 0.382 . . . . 0.0 110.746 176.007 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.463 ' O ' ' HB3' ' A' ' 69' ' ' GLU . 46.0 mt-10 -81.05 -36.94 29.87 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-O 121.3 0.571 . . . . 0.0 111.106 -178.269 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 8.6 m170 -65.88 -44.93 83.89 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.806 -179.307 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -63.33 -29.78 71.03 Favored 'General case' 0 CA--C 1.521 -0.167 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 178.948 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.463 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 12.5 tp10 -55.75 -32.24 63.24 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.575 178.872 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 21.6 ptt180 -111.95 10.66 20.59 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 112.492 0.552 . . . . 0.0 112.492 -178.744 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.551 ' HE3' ' OD1' ' A' ' 20' ' ' ASP . 59.3 mttm -124.59 -149.08 0.41 Allowed 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 -177.196 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.494 HD22 ' N ' ' A' ' 72' ' ' LEU . 2.5 mm? . . . . . 0 C--N 1.35 0.618 0 C-N-CA 123.516 0.726 . . . . 0.0 111.802 -171.668 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 22.2 t . . . . . 0 N--CA 1.448 -0.548 0 CA-C-O 121.804 0.811 . . . . 0.0 108.982 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.417 ' SG ' ' NE2' ' A' ' 12' ' ' GLN . 0.9 OUTLIER -83.52 123.29 29.59 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 114.659 -1.155 . . . . 0.0 109.684 -178.571 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.1 p -76.56 -15.16 59.93 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.066 -0.515 . . . . 0.0 112.113 -175.636 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.417 ' NE2' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -143.04 165.32 27.69 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.926 0.393 . . . . 0.0 110.923 -178.083 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.508 HD13 ' HB3' ' A' ' 55' ' ' HIS . 87.3 mt -129.79 144.96 51.56 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.523 -178.095 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.448 ' O ' ' HB3' ' A' ' 15' ' ' ARG . 19.4 t80 -71.79 -37.38 70.42 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.894 -0.322 . . . . 0.0 110.732 -176.84 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.448 ' HB3' ' O ' ' A' ' 14' ' ' TYR . 43.6 ttt180 74.82 -42.38 0.49 Allowed 'General case' 0 N--CA 1.468 0.47 0 O-C-N 123.729 0.643 . . . . 0.0 112.209 173.193 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -69.74 152.46 96.12 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 122.416 -0.178 . . . . 0.0 110.543 176.302 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -68.01 144.14 62.84 Favored 'Trans proline' 0 N--CA 1.461 -0.427 0 C-N-CA 122.084 1.856 . . . . 0.0 110.658 170.385 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.889 ' HB3' HD11 ' A' ' 22' ' ' LEU . 60.0 mt -87.55 142.09 28.11 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.897 0.379 . . . . 0.0 111.479 -174.559 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.532 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 49.6 m -66.1 145.01 56.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.393 -179.372 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -62.56 -34.74 77.56 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.822 -175.773 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.417 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 28.9 mtpp -62.6 -45.66 91.87 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.969 -177.269 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.889 HD11 ' HB3' ' A' ' 18' ' ' LEU . 4.7 pp -74.03 -27.78 61.11 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 121.003 -0.279 . . . . 0.0 110.767 177.88 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 19' ' ' SER . 66.1 mt -62.97 -45.49 92.17 Favored 'General case' 0 C--O 1.224 -0.248 0 CA-C-O 120.472 0.177 . . . . 0.0 111.292 179.938 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.6 ' HB3' ' HD3' ' A' ' 71' ' ' LYS . 16.4 ptp180 -67.49 4.96 0.87 Allowed 'General case' 0 CA--C 1.536 0.435 0 CA-C-O 120.804 0.335 . . . . 0.0 111.726 179.614 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -118.92 11.68 12.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.032 176.282 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 37.8 t -79.04 144.19 11.4 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 CA-C-N 116.323 -0.399 . . . . 0.0 109.986 177.222 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.418 HG12 ' O ' ' A' ' 46' ' ' HIS . 25.3 pt -110.48 -35.2 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 C-N-CA 120.508 -0.477 . . . . 0.0 112.277 -177.023 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.831 HE21 ' HA ' ' A' ' 28' ' ' GLN . 0.0 OUTLIER -145.86 157.64 43.9 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.952 0.406 . . . . 0.0 111.585 -177.194 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 45.3 t -120.35 121.59 66.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 173.501 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -114.97 157.12 23.85 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.631 0.253 . . . . 0.0 111.289 -171.353 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.505 HD13 ' CE2' ' A' ' 43' ' ' PHE . 48.6 tp -119.56 116.19 25.54 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 121.28 0.562 . . . . 0.0 111.038 179.381 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -94.54 116.39 28.72 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.028 -0.987 . . . . 0.0 109.223 173.094 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -79.87 154.62 28.25 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.878 0.371 . . . . 0.0 111.593 -174.516 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.738 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . . . -82.89 12.37 4.96 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.885 -0.598 . . . . 0.0 112.053 -174.556 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -170.77 12.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.105 0.478 . . . . 0.0 110.272 179.218 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -93.16 -90.95 1.55 Allowed Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.662 -0.78 . . . . 0.0 111.603 -179.07 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -96.97 7.19 47.19 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.134 0.493 . . . . 0.0 110.415 179.68 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.9 t -164.01 177.41 8.51 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.838 179.325 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 70.0 t60 -88.27 -41.61 12.8 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -177.211 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.646 HD13 ' H ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -102.19 154.25 19.19 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.467 -0.493 . . . . 0.0 110.881 -179.169 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.738 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 36.7 tt0 -93.69 130.28 39.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.15 -177.444 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.481 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -147.1 127.9 14.36 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.14 0.495 . . . . 0.0 111.534 -177.206 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.55 ' HB3' ' HG ' ' A' ' 61' ' ' LEU . 0.7 OUTLIER -88.96 109.82 20.58 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 170.197 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.0 t -97.02 126.24 49.83 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.205 -170.206 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.841 HD12 HD12 ' A' ' 18' ' ' LEU . 29.6 mt -92.71 108.33 19.9 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.859 0.838 . . . . 0.0 109.419 175.911 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.418 ' O ' HG12 ' A' ' 27' ' ' ILE . 3.7 t60 -95.91 111.76 23.67 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.441 -170.36 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.416 ' HB2' ' O ' ' A' ' 50' ' ' ARG . 6.2 mp -94.61 157.43 15.98 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 172.303 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.55 -12.71 55.42 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.834 0.35 . . . . 0.0 111.586 -177.992 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -106.46 -37.24 6.55 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.277 -175.168 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.416 ' O ' ' HB2' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -160.63 154.37 22.48 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.342 177.608 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 6.9 m -98.89 134.99 40.97 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.479 178.222 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.596 HG21 HD21 ' A' ' 18' ' ' LEU . 53.9 mt -112.98 128.96 69.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 177.532 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 56.9 m -102.25 126.21 49.18 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.698 0.761 . . . . 0.0 111.349 -172.415 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -124.28 146.75 29.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 114.919 -1.037 . . . . 0.0 109.839 -177.73 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.508 ' HB3' HD13 ' A' ' 13' ' ' LEU . 3.5 p80 -83.81 138.88 40.34 Favored Pre-proline 0 C--N 1.327 -0.412 0 C-N-CA 119.795 -0.762 . . . . 0.0 109.301 173.204 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.481 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 70.9 Cg_exo -50.54 -24.21 12.14 Favored 'Trans proline' 0 N--CA 1.48 0.716 0 C-N-CA 123.678 2.918 . . . . 0.0 114.237 -174.082 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.45 ' HB2' ' CE1' ' A' ' 55' ' ' HIS . 23.2 mp0 -80.8 7.77 9.67 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.257 -178.028 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.46 ' HA ' ' HD2' ' A' ' 59' ' ' PRO . 47.5 t-20 -90.62 121.34 68.4 Favored Pre-proline 0 C--N 1.329 -0.288 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 176.452 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.46 ' HD2' ' HA ' ' A' ' 58' ' ' ASN . 3.5 Cg_endo -48.47 -35.05 27.56 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 123.853 3.035 . . . . 0.0 113.156 178.763 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.2 m -60.0 -31.67 70.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.229 -0.441 . . . . 0.0 112.054 -173.768 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.55 ' HG ' ' HB3' ' A' ' 43' ' ' PHE . 0.8 OUTLIER -69.28 -44.16 72.39 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-O 120.663 0.268 . . . . 0.0 110.402 -178.165 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.448 ' HA ' ' CD2' ' A' ' 65' ' ' PHE . 41.2 t -70.7 -49.36 47.89 Favored 'General case' 0 C--O 1.24 0.6 0 CA-C-O 121.352 0.596 . . . . 0.0 110.869 -178.001 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -60.45 -27.3 67.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.246 177.564 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.495 ' CE2' ' HB3' ' A' ' 68' ' ' GLN . 22.8 t-105 -65.44 -36.65 84.56 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.868 176.282 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.813 ' HA ' HE21 ' A' ' 68' ' ' GLN . 26.3 m-85 -53.37 -46.91 69.8 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.078 0.466 . . . . 0.0 109.97 176.204 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.495 ' O ' ' HB3' ' A' ' 69' ' ' GLU . 41.5 mt-10 -65.81 -45.98 80.31 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 121.897 0.856 . . . . 0.0 110.935 178.385 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.587 ' O ' ' HG3' ' A' ' 71' ' ' LYS . 35.9 m80 -76.69 -24.71 53.17 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.732 -0.667 . . . . 0.0 112.418 -170.881 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.813 HE21 ' HA ' ' A' ' 65' ' ' PHE . 29.8 pt20 -79.63 -18.61 51.13 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.293 -0.563 . . . . 0.0 110.035 175.527 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.495 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 12.3 tp10 -65.38 -27.85 68.86 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 170.876 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.3 ptp180 -108.94 1.69 20.89 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 112.273 0.472 . . . . 0.0 112.273 179.176 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.6 ' HD3' ' HB3' ' A' ' 24' ' ' ARG . 71.6 mttt -119.3 -170.5 1.94 Allowed 'General case' 0 CA--C 1.515 -0.38 0 O-C-N 122.063 -0.398 . . . . 0.0 110.223 174.077 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.3 mt . . . . . 0 N--CA 1.468 0.456 0 O-C-N 124.321 1.013 . . . . 0.0 111.927 177.578 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.686 ' HA ' ' HB2' ' A' ' 38' ' ' CYS . 48.6 t . . . . . 0 N--CA 1.447 -0.62 0 N-CA-C 107.626 -1.249 . . . . 0.0 107.626 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.637 ' O ' HD21 ' A' ' 40' ' ' LEU . 59.8 m -69.37 118.37 12.17 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.84 -1.073 . . . . 0.0 112.023 -171.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 25.4 p -98.0 11.62 36.93 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.581 170.818 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -158.86 160.92 36.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.392 -179.073 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.407 HD13 ' HB2' ' A' ' 55' ' ' HIS . 77.1 mt -136.59 137.27 39.98 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 177.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.442 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 48.0 t80 -65.52 -43.79 88.95 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 -174.672 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.447 ' HA ' ' OD1' ' A' ' 58' ' ' ASN . 73.8 mtt180 75.69 -26.9 0.19 Allowed 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 113.593 0.96 . . . . 0.0 113.593 174.203 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -101.29 165.59 13.85 Favored Pre-proline 0 C--N 1.321 -0.643 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -172.15 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.509 ' HA ' ' HB2' ' A' ' 60' ' ' SER . 13.0 Cg_exo -72.18 120.88 7.08 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 123.151 2.567 . . . . 0.0 111.703 172.653 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.651 HD21 HG21 ' A' ' 52' ' ' ILE . 6.0 mp -75.49 156.75 34.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.7 0.286 . . . . 0.0 110.245 179.554 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.658 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 20.8 m -64.68 129.86 41.41 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.825 179.742 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.547 ' OD1' ' HE3' ' A' ' 71' ' ' LYS . 21.0 t70 -61.27 -28.34 69.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.181 0.515 . . . . 0.0 110.748 -178.07 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.438 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 93.0 mttt -57.5 -47.53 81.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.866 177.615 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.658 ' HG ' ' O ' ' A' ' 19' ' ' SER . 4.5 pp -75.83 -27.5 57.9 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.994 -0.282 . . . . 0.0 110.583 177.069 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.669 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 61.5 mt -60.78 -47.29 86.98 Favored 'General case' 0 C--O 1.226 -0.176 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.202 -179.156 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.438 ' HG2' ' O ' ' A' ' 21' ' ' LYS . 37.5 ptt180 -62.9 -1.9 1.04 Allowed 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -179.544 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.428 ' HE2' ' HA ' ' A' ' 22' ' ' LEU . 48.3 mtmt -110.18 0.35 18.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.694 0.283 . . . . 0.0 111.034 178.537 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.546 ' O ' ' HG ' ' A' ' 72' ' ' LEU . 48.7 t -75.79 107.21 6.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 177.788 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 18.9 pt -67.55 -36.42 76.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.996 -174.471 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 39.4 mm-40 -155.63 158.64 38.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.124 0.488 . . . . 0.0 111.645 -177.021 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.475 HG11 HE22 ' A' ' 68' ' ' GLN . 30.0 m -106.96 151.25 8.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.463 172.796 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.56 ' CG ' ' HB ' ' A' ' 44' ' ' VAL . 15.1 pt-20 -134.43 135.54 42.62 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.278 0.561 . . . . 0.0 110.647 179.728 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 38.1 tp -96.17 111.03 23.2 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.952 177.66 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.503 ' NE2' ' HB3' ' A' ' 38' ' ' CYS . 0.1 OUTLIER -83.78 106.88 15.82 Favored 'General case' 0 N--CA 1.444 -0.749 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 176.962 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.428 ' HB2' ' HA3' ' A' ' 36' ' ' GLY . 31.8 mt-10 -64.89 154.01 38.6 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.868 -175.166 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.69 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . . . -76.71 22.29 0.18 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.848 0.356 . . . . 0.0 111.815 -173.878 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.416 ' H ' ' C ' ' A' ' 33' ' ' GLU . 4.9 p-10 179.69 -2.09 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.766 -177.095 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.428 ' HA3' ' HB2' ' A' ' 33' ' ' GLU . . . -80.69 -3.68 90.28 Favored Glycine 0 C--N 1.331 0.265 0 C-N-CA 121.11 -0.567 . . . . 0.0 112.838 -175.84 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -171.3 -43.4 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.394 0.616 . . . . 0.0 109.439 178.32 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.686 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 11.2 t -127.44 160.38 31.62 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.33 -0.85 . . . . 0.0 108.815 177.682 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -74.59 4.96 5.3 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 113.247 0.832 . . . . 0.0 113.247 -173.566 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.637 HD21 ' O ' ' A' ' 10' ' ' CYS . 3.2 pp -131.33 153.76 49.27 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 120.737 -0.385 . . . . 0.0 111.093 -179.507 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.69 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 9.0 tt0 -90.49 134.34 34.43 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.848 178.947 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.455 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -146.33 151.13 37.01 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.091 0.472 . . . . 0.0 111.308 -178.76 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.584 ' O ' ' HB ' ' A' ' 54' ' ' ILE . 3.0 m-85 -107.27 100.93 10.35 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 172.68 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.56 ' HB ' ' CG ' ' A' ' 30' ' ' GLU . 39.3 t -95.69 132.01 40.96 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.998 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.388 -172.833 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.422 HD21 ' CD2' ' A' ' 61' ' ' LEU . 51.4 mt -93.02 117.07 29.66 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.2 0.524 . . . . 0.0 109.663 -179.944 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 14.0 t60 -102.41 108.14 19.37 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.486 -167.416 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.455 ' HG ' ' HA ' ' A' ' 26' ' ' VAL . 6.1 mp -98.35 169.98 9.18 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 173.131 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -78.78 0.7 25.87 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.007 0.432 . . . . 0.0 111.377 -171.767 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -131.38 -8.35 3.73 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.165 -177.793 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 12.6 ptp180 -171.44 166.59 6.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.792 0.329 . . . . 0.0 111.49 -169.672 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.9 m -138.6 124.23 19.66 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.776 178.371 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.651 HG21 HD21 ' A' ' 18' ' ' LEU . 4.5 mp -102.08 136.96 31.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 178.329 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 49.5 t -101.09 136.19 41.33 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.665 0.745 . . . . 0.0 111.072 -173.445 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.584 ' HB ' ' O ' ' A' ' 43' ' ' PHE . 1.2 mt -134.03 143.78 37.37 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.833 0 CA-C-N 114.938 -1.028 . . . . 0.0 111.346 -171.724 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.672 ' O ' ' HB2' ' A' ' 58' ' ' ASN . 26.6 t-80 -69.61 135.2 88.28 Favored Pre-proline 0 C--O 1.217 -0.617 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 173.573 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 82.4 Cg_exo -45.75 -46.35 15.38 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.172 1.915 . . . . 0.0 112.224 178.619 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -86.94 83.05 7.59 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 168.307 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.672 ' HB2' ' O ' ' A' ' 55' ' ' HIS . 6.7 t30 -132.36 133.58 23.88 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.225 179.351 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 58' ' ' ASN . 50.9 Cg_exo -55.2 -28.18 60.29 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 123.249 2.633 . . . . 0.0 113.05 -178.792 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.509 ' HB2' ' HA ' ' A' ' 17' ' ' PRO . 4.2 t -77.59 -33.9 53.71 Favored 'General case' 0 C--O 1.222 -0.384 0 C-N-CA 120.63 -0.428 . . . . 0.0 111.149 179.775 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.568 HD23 HG21 ' A' ' 54' ' ' ILE . 0.3 OUTLIER -77.21 -48.52 17.35 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.436 0.16 . . . . 0.0 111.285 -168.066 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.0 t -59.81 -50.04 75.34 Favored 'General case' 0 C--O 1.242 0.675 0 CA-C-O 121.318 0.58 . . . . 0.0 110.02 -179.254 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -61.19 -31.49 71.25 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.423 175.624 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.669 ' CZ3' ' HB3' ' A' ' 23' ' ' LEU . 7.3 t-105 -66.16 -36.38 82.95 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 120.871 -0.331 . . . . 0.0 110.565 -178.119 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -58.47 -39.44 79.98 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.694 175.745 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.505 ' O ' ' HB3' ' A' ' 69' ' ' GLU . 21.4 mm-40 -75.56 -39.26 58.46 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.251 0.548 . . . . 0.0 111.231 177.27 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.42 ' HB2' ' HE3' ' A' ' 64' ' ' TRP . 10.0 m170 -68.28 -41.6 80.77 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.232 -179.609 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.503 ' HB2' HD21 ' A' ' 72' ' ' LEU . 3.2 pt20 -68.63 -25.02 64.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.962 0.411 . . . . 0.0 110.163 179.027 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.505 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 21.7 tp10 -59.16 -32.65 70.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.595 175.039 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.6 ptp180 -113.54 19.76 16.58 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.675 -177.849 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.547 ' HE3' ' OD1' ' A' ' 20' ' ' ASP . 42.9 mttm -141.61 -169.35 2.87 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 119.515 -0.278 . . . . 0.0 110.429 177.959 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.605 HD11 ' CH2' ' A' ' 64' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.484 1.246 0 N-CA-C 114.991 1.478 . . . . 0.0 114.991 -173.483 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 80.5 m . . . . . 0 N--CA 1.451 -0.406 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 62.0 m -65.17 120.17 12.21 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.625 -0.716 . . . . 0.0 112.602 -176.61 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.2 p -108.35 6.6 26.57 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.922 168.117 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -145.8 152.95 40.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.041 -0.981 . . . . 0.0 110.288 -179.501 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 60.3 mt -132.45 132.85 43.16 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 179.779 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -63.48 -40.8 98.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.383 -174.158 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 11.1 mmm180 70.95 -53.16 0.68 Allowed 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.594 0.758 . . . . 0.0 112.438 178.754 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -62.23 139.04 96.22 Favored Pre-proline 0 C--N 1.327 -0.38 0 O-C-N 123.216 0.322 . . . . 0.0 111.391 -178.76 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -61.31 126.58 19.67 Favored 'Trans proline' 0 C--O 1.237 0.435 0 C-N-CA 122.98 2.453 . . . . 0.0 112.012 177.27 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.632 HD12 HD12 ' A' ' 45' ' ' LEU . 62.0 mt -73.82 153.02 40.11 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.818 -179.736 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.622 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 17.9 m -82.06 140.47 33.86 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.834 -179.691 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.558 ' HA ' HD12 ' A' ' 23' ' ' LEU . 9.0 t0 -63.71 -29.07 70.34 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.597 -177.545 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.595 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 65.2 mttm -61.09 -45.43 94.76 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.238 179.707 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.622 ' HG ' ' O ' ' A' ' 19' ' ' SER . 4.6 pp -73.84 -25.17 59.94 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.175 177.144 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.558 HD12 ' HA ' ' A' ' 20' ' ' ASP . 67.7 mt -61.0 -36.6 79.9 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.511 179.667 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.733 ' HB3' ' HD3' ' A' ' 71' ' ' LYS . 12.6 ptm180 -65.03 -4.56 4.82 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-O 121.293 0.568 . . . . 0.0 111.459 177.705 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.525 ' HD3' ' HA ' ' A' ' 22' ' ' LEU . 51.0 mtpt -108.69 1.22 21.03 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.527 -176.645 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.583 HG22 ' HG ' ' A' ' 47' ' ' LEU . 52.6 t -79.57 143.84 11.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 174.514 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.552 HD11 ' HD2' ' A' ' 46' ' ' HIS . 5.0 pt -104.47 -37.63 4.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 C-N-CA 120.155 -0.618 . . . . 0.0 111.694 -178.588 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -154.88 157.84 38.43 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-O 120.691 0.282 . . . . 0.0 111.027 178.837 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.495 HG13 HD23 ' A' ' 45' ' ' LEU . 20.5 t -100.7 126.59 54.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 174.55 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.471 ' HG3' ' HB ' ' A' ' 44' ' ' VAL . 15.1 pt-20 -117.5 126.09 52.0 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.604 0.716 . . . . 0.0 111.263 -176.524 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 41.5 tp -90.05 117.65 29.0 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.848 179.404 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.448 ' HB3' ' HB3' ' A' ' 42' ' ' ALA . 50.7 tt0 -78.64 107.27 11.2 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 173.229 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -64.66 148.48 50.89 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.95 179.264 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.715 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . . . -80.72 25.21 0.44 Allowed 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -170.921 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 31.5 t70 178.32 -37.84 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.737 -0.211 . . . . 0.0 110.756 -175.508 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -48.98 -43.87 31.68 Favored Glycine 0 C--N 1.336 0.539 0 O-C-N 123.832 0.708 . . . . 0.0 113.558 -176.901 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -108.42 -63.11 1.37 Allowed 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 175.543 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 66.3 m -135.65 146.53 47.92 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.42 -0.809 . . . . 0.0 108.972 171.608 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.404 ' HA ' ' O ' ' A' ' 34' ' ' ALA . 1.9 p-80 -72.72 82.73 1.15 Allowed 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -173.876 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.2 tt -172.79 123.77 0.44 Allowed 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 174.19 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.715 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 24.6 tt0 -86.16 116.76 24.56 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.906 0.384 . . . . 0.0 110.663 -177.813 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.55 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -137.91 155.32 49.04 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.032 -178.097 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.632 ' HB3' ' HG ' ' A' ' 61' ' ' LEU . 0.5 OUTLIER -116.26 107.42 14.83 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 176.003 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.471 ' HB ' ' HG3' ' A' ' 30' ' ' GLU . 60.6 t -110.23 139.0 35.54 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.142 -170.523 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.632 HD12 HD12 ' A' ' 18' ' ' LEU . 75.3 mt -99.79 114.75 28.11 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.966 179.325 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.552 ' HD2' HD11 ' A' ' 27' ' ' ILE . 5.9 t60 -88.41 102.62 15.06 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.146 -176.168 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.583 ' HG ' HG22 ' A' ' 26' ' ' VAL . 6.1 mp -89.83 164.09 14.77 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 172.61 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.37 -13.55 61.5 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.232 0.539 . . . . 0.0 110.858 -175.042 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.409 HE21 ' HB2' ' A' ' 49' ' ' GLN . 0.2 OUTLIER -101.48 -36.18 8.91 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.081 -177.941 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.561 ' O ' ' HB2' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -174.9 161.96 3.09 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.58 179.072 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.0 m -99.75 140.47 33.9 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 120.967 0.413 . . . . 0.0 110.767 177.361 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.475 HG21 HD21 ' A' ' 18' ' ' LEU . 61.5 mt -105.97 135.57 43.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 176.457 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 47.5 t -101.12 124.91 47.57 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.366 0.603 . . . . 0.0 111.03 -172.059 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.404 ' HB ' HD23 ' A' ' 61' ' ' LEU . 31.2 mt -125.88 145.84 32.65 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.574 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.789 -176.346 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 45.3 t-80 -68.46 131.12 91.77 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.085 174.613 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.55 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 77.6 Cg_exo -52.12 140.49 50.48 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.907 2.405 . . . . 0.0 112.017 177.103 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 69.5 45.65 0.8 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.61 0.719 . . . . 0.0 110.575 -178.286 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -107.88 140.09 21.28 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 114.948 -1.024 . . . . 0.0 109.039 173.474 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -42.87 -47.36 8.2 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 123.453 2.769 . . . . 0.0 113.566 179.847 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 49.2 m -70.4 -34.82 73.0 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 111.804 0.298 . . . . 0.0 111.804 -176.208 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.632 ' HG ' ' HB3' ' A' ' 43' ' ' PHE . 0.2 OUTLIER -70.84 -47.68 58.03 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 -178.377 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 39.8 t -65.9 -47.24 75.44 Favored 'General case' 0 C--O 1.241 0.651 0 CA-C-O 121.004 0.43 . . . . 0.0 110.72 179.785 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -60.62 -28.97 68.94 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.771 -179.288 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.536 ' CZ3' ' HB3' ' A' ' 23' ' ' LEU . 27.6 t-105 -68.33 -38.41 81.49 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.138 179.932 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -53.2 -40.23 64.3 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.425 -0.51 . . . . 0.0 110.038 175.634 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -79.43 -41.92 26.55 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.043 -179.337 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 23.7 m170 -65.68 -39.76 91.62 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.821 179.72 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.497 ' HB2' ' CE2' ' A' ' 64' ' ' TRP . 17.0 tt0 -62.86 -34.52 77.54 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.524 177.698 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -61.45 -28.08 69.02 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.67 178.194 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 14.4 ptt180 -113.99 24.35 12.12 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.726 179.063 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.733 ' HD3' ' HB3' ' A' ' 24' ' ' ARG . 24.6 ttmt -144.17 -150.1 0.3 Allowed 'General case' 0 C--O 1.236 0.371 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.362 -177.987 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.504 HD21 ' CZ2' ' A' ' 64' ' ' TRP . 8.5 mt . . . . . 0 C--N 1.345 0.383 0 C-N-CA 123.278 0.631 . . . . 0.0 111.744 -178.103 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.3 t . . . . . 0 C--O 1.233 0.212 0 N-CA-C 106.706 -1.59 . . . . 0.0 106.706 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 43.5 t -53.77 137.1 38.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 113.336 -1.756 . . . . 0.0 112.495 -172.647 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.8 t -130.87 15.64 5.26 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.808 178.113 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -141.61 95.21 2.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.729 0.776 . . . . 0.0 111.005 176.753 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.555 HD23 ' SG ' ' A' ' 53' ' ' CYS . 50.6 mt -83.05 135.51 34.82 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.373 -0.83 . . . . 0.0 111.019 -176.448 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -62.8 -46.7 86.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.972 -176.512 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 75.08 -44.28 0.53 Allowed 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.667 0.787 . . . . 0.0 112.485 177.763 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -63.65 129.92 94.04 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 120.591 0.234 . . . . 0.0 111.142 -178.527 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -59.89 116.98 3.68 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.95 2.434 . . . . 0.0 111.958 177.23 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.808 ' HB3' HD11 ' A' ' 22' ' ' LEU . 82.0 mt -71.13 138.53 49.74 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.074 -177.101 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.618 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 5.1 m -74.08 140.62 45.44 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.857 -178.374 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.489 ' HA ' HD12 ' A' ' 23' ' ' LEU . 9.9 t70 -55.53 -34.58 64.8 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 121.057 0.456 . . . . 0.0 111.131 -178.643 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.438 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 66.5 mttm -56.91 -46.68 81.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.337 179.281 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.808 HD11 ' HB3' ' A' ' 18' ' ' LEU . 4.3 pp -76.37 -26.85 56.08 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.794 176.605 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.519 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 76.6 mt -65.2 -36.75 85.17 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.725 -178.045 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.441 ' HB3' ' HD3' ' A' ' 71' ' ' LYS . 15.2 ptm180 -67.54 4.79 0.94 Allowed 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 121.217 0.532 . . . . 0.0 111.366 178.298 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.602 ' HD3' ' HA ' ' A' ' 22' ' ' LEU . 24.1 mtpp -109.01 0.18 19.85 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.057 178.91 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.884 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 25.1 t -84.74 150.55 3.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 177.625 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 18.0 pt -124.49 -24.1 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -178.54 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 22.7 mm-40 -152.34 154.09 34.95 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 120.753 0.311 . . . . 0.0 111.462 -177.935 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.486 HG13 HE22 ' A' ' 68' ' ' GLN . 13.7 m -98.68 126.07 51.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.298 0.57 . . . . 0.0 109.863 169.581 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.949 ' HB2' ' HB ' ' A' ' 44' ' ' VAL . 3.2 mm-40 -95.7 110.8 22.88 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 -179.811 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 32.1 tp -90.1 105.36 17.76 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 120.136 -0.626 . . . . 0.0 110.81 -179.823 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.435 ' HB3' ' HB3' ' A' ' 42' ' ' ALA . 46.5 tt0 -82.14 104.27 12.36 Favored 'General case' 0 N--CA 1.442 -0.859 0 CA-C-N 115.232 -0.894 . . . . 0.0 108.634 172.522 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -73.52 154.78 39.73 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.175 -176.757 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.655 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . . . -83.1 1.98 37.57 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.978 -179.294 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -156.29 -28.11 0.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.589 179.728 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -63.81 -13.57 52.37 Favored Glycine 0 CA--C 1.524 0.602 0 CA-C-N 116.255 -0.43 . . . . 0.0 114.006 -176.749 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -159.33 -62.33 0.07 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.366 0.603 . . . . 0.0 109.6 177.137 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 52.7 t -99.44 167.26 10.73 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.378 -0.828 . . . . 0.0 108.789 176.449 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.2 p-80 -96.19 8.94 42.54 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.152 0.501 . . . . 0.0 111.103 178.543 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.3 tt -125.94 134.7 51.45 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 178.474 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.655 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 29.8 tt0 -90.09 135.01 33.92 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 110.264 -0.273 . . . . 0.0 110.264 -177.243 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.549 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -150.65 157.64 43.22 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.953 0.406 . . . . 0.0 111.135 179.202 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.624 ' HB3' ' HG ' ' A' ' 61' ' ' LEU . 7.0 m-85 -118.34 102.44 8.95 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.372 0.606 . . . . 0.0 109.602 175.42 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.949 ' HB ' ' HB2' ' A' ' 30' ' ' GLU . 68.7 t -94.91 140.63 16.41 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.99 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.983 -176.316 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.623 HD12 HD12 ' A' ' 18' ' ' LEU . 23.0 mt -103.1 117.38 34.42 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.138 0.494 . . . . 0.0 110.78 178.603 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.439 ' HB2' ' CD ' ' A' ' 30' ' ' GLU . 3.4 t-160 -93.48 95.56 9.34 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.068 -176.871 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.884 ' HA ' ' HA ' ' A' ' 26' ' ' VAL . 6.0 mp -80.64 157.83 25.85 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 174.042 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.54 17.33 0.11 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.965 0.412 . . . . 0.0 111.47 -178.234 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.464 ' H ' ' C ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -138.54 -39.4 0.52 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.945 -176.872 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.531 ' O ' ' HB2' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -164.31 160.95 21.52 Favored 'General case' 0 C--O 1.225 -0.205 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.382 178.727 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.7 m -112.61 135.76 52.97 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.784 0.326 . . . . 0.0 111.048 -177.382 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 48.4 mt -110.36 146.38 15.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.037 -178.958 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.555 ' SG ' HD23 ' A' ' 13' ' ' LEU . 45.6 t -102.22 124.75 48.36 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.94 0.4 . . . . 0.0 110.758 -176.687 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.502 HG21 HD23 ' A' ' 61' ' ' LEU . 0.3 OUTLIER -125.1 147.22 29.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.123 0.487 . . . . 0.0 111.181 -177.08 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.496 ' CD2' ' HD2' ' A' ' 56' ' ' PRO . 17.1 t-80 -68.26 133.0 91.46 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.642 176.004 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.549 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 86.3 Cg_exo -48.99 -46.76 23.99 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.651 2.234 . . . . 0.0 112.661 179.786 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.454 ' HB2' ' CE1' ' A' ' 55' ' ' HIS . 23.6 mp0 -83.32 78.32 9.65 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 174.118 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -143.32 132.8 11.73 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.108 179.242 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -59.97 -36.75 88.9 Favored 'Trans proline' 0 CA--C 1.528 0.196 0 C-N-CA 123.035 2.49 . . . . 0.0 112.911 -177.098 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 26.3 m -68.33 -34.13 75.55 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 111.751 0.278 . . . . 0.0 111.751 -175.245 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.624 ' HG ' ' HB3' ' A' ' 43' ' ' PHE . 0.2 OUTLIER -74.51 -37.42 63.11 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 177.768 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.491 ' O ' ' HB2' ' A' ' 65' ' ' PHE . 34.8 t -68.67 -48.3 64.3 Favored 'General case' 0 C--O 1.248 0.976 0 CA-C-O 121.035 0.445 . . . . 0.0 111.116 -178.376 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -60.23 -29.05 68.5 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 175.189 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.519 ' CZ3' ' HB3' ' A' ' 23' ' ' LEU . 23.3 t-105 -66.99 -32.26 73.38 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.905 179.452 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.491 ' HB2' ' O ' ' A' ' 62' ' ' SER . 8.4 m-85 -52.2 -55.69 19.5 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 175.543 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -75.92 -34.8 59.92 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.837 -176.789 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.529 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 64.7 m170 -76.16 -33.0 59.36 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.613 -176.358 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.512 ' HB2' ' CE2' ' A' ' 64' ' ' TRP . 10.2 tt0 -69.02 -31.9 71.04 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.701 0.286 . . . . 0.0 110.537 176.836 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -59.63 -32.69 70.66 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.054 0.454 . . . . 0.0 110.291 173.655 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -110.93 16.12 21.41 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 116.05 -0.523 . . . . 0.0 112.072 -177.067 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.529 ' HB2' ' O ' ' A' ' 67' ' ' HIS . 10.7 ttmm -131.39 -156.88 0.78 Allowed 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 -179.966 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' ' 26' ' ' VAL . 6.4 mp . . . . . 0 N--CA 1.463 0.215 0 CA-C-O 121.157 0.503 . . . . 0.0 110.959 -176.956 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.434 ' HA ' ' OE1' ' A' ' 32' ' ' GLN . 46.7 t . . . . . 0 N--CA 1.45 -0.445 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 71.4 m -113.29 117.81 32.87 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.337 -177.564 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 21.2 p -94.94 -25.1 16.68 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.372 0.606 . . . . 0.0 109.942 175.117 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -102.49 159.05 15.78 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.119 172.839 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 91.1 mt -134.04 152.37 51.81 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.646 -0.252 . . . . 0.0 110.658 -177.652 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -69.53 -39.6 77.41 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 176.265 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.448 HH11 ' HD3' ' A' ' 15' ' ' ARG . 48.1 mtt180 73.32 -44.02 0.57 Allowed 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 115.118 -0.946 . . . . 0.0 112.674 173.277 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -85.97 159.45 54.39 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-O 120.638 0.256 . . . . 0.0 111.128 -177.461 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_exo -64.7 149.56 89.56 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 123.046 2.498 . . . . 0.0 113.204 179.455 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.762 ' HB3' HD11 ' A' ' 22' ' ' LEU . 81.8 mt -100.56 154.19 18.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.941 177.456 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.615 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 19.1 m -92.32 148.11 22.39 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.115 -178.926 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.508 ' HA ' HD12 ' A' ' 23' ' ' LEU . 5.5 m-20 -55.83 -30.16 60.97 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.858 179.771 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.639 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 7.9 mtpm? -60.98 -45.69 93.78 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.081 -179.242 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.762 HD11 ' HB3' ' A' ' 18' ' ' LEU . 4.3 pp -75.01 -29.79 60.95 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.238 176.357 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.573 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 82.7 mt -64.39 -26.83 68.63 Favored 'General case' 0 C--O 1.223 -0.291 0 CA-C-N 116.003 -0.544 . . . . 0.0 112.165 -176.129 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.639 ' HG2' ' O ' ' A' ' 21' ' ' LYS . 13.3 ptm180 -67.0 -6.78 18.31 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 121.119 0.485 . . . . 0.0 111.081 -179.153 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.541 ' HB3' HE22 ' A' ' 49' ' ' GLN . 35.1 mtmm -108.47 -4.71 17.05 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.328 -179.108 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.91 HG22 ' HG ' ' A' ' 47' ' ' LEU . 21.4 t -80.52 90.02 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 179.953 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.56 HD13 ' HB2' ' A' ' 48' ' ' ALA . 23.9 pt -69.14 -30.98 48.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 115.164 -0.926 . . . . 0.0 112.687 -171.966 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -150.17 159.32 44.51 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.039 0.447 . . . . 0.0 111.052 -177.721 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.591 HG21 HE22 ' A' ' 68' ' ' GLN . 47.9 t -115.98 125.9 73.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.122 177.561 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.51 ' HG3' ' HB ' ' A' ' 44' ' ' VAL . 5.4 pt-20 -127.37 168.9 14.2 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 179.039 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -145.77 142.11 28.6 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.533 0.682 . . . . 0.0 112.117 -176.544 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.589 ' OE1' ' HB2' ' A' ' 38' ' ' CYS . 7.4 tt0 -85.38 116.71 23.87 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 114.754 -1.112 . . . . 0.0 108.831 171.828 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.428 ' C ' ' H ' ' A' ' 35' ' ' ASP . 40.8 mt-10 -74.52 152.85 39.31 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 178.56 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.45 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . . . -74.25 21.24 0.1 Allowed 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 -171.552 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.428 ' H ' ' C ' ' A' ' 33' ' ' GLU . 33.0 t70 174.96 -23.18 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 123.229 0.612 . . . . 0.0 109.402 -178.409 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -59.9 -23.79 59.55 Favored Glycine 0 C--N 1.331 0.303 0 CA-C-N 115.443 -0.799 . . . . 0.0 113.139 -179.085 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -137.03 -56.71 0.72 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.333 0.587 . . . . 0.0 109.495 177.743 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.589 ' HB2' ' OE1' ' A' ' 32' ' ' GLN . 84.5 m -131.72 -179.25 5.27 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.485 175.839 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -83.18 13.94 3.83 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 114.382 1.253 . . . . 0.0 114.382 -164.947 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -145.12 166.55 25.09 Favored 'General case' 0 C--N 1.321 -0.632 0 O-C-N 121.655 -0.653 . . . . 0.0 110.95 179.337 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.466 ' HA ' ' O ' ' A' ' 32' ' ' GLN . 50.4 tt0 -105.6 131.01 53.52 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.509 -179.786 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -153.56 132.33 12.34 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.292 178.516 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.443 ' O ' HG22 ' A' ' 54' ' ' ILE . 57.6 m-85 -84.75 125.78 32.85 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 175.54 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.51 ' HB ' ' HG3' ' A' ' 30' ' ' GLU . 24.7 t -106.69 114.18 45.17 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.917 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.652 -176.483 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.607 HD12 HD12 ' A' ' 18' ' ' LEU . 19.0 mt -84.67 119.81 25.67 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 -179.471 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -97.05 103.51 15.44 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.127 -169.297 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.91 ' HG ' HG22 ' A' ' 26' ' ' VAL . 5.7 mp -99.29 2.16 45.24 Favored 'General case' 0 C--O 1.213 -0.843 0 CA-C-O 121.053 0.454 . . . . 0.0 110.689 -178.468 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.56 ' HB2' HD13 ' A' ' 27' ' ' ILE . . . 78.72 -67.12 0.17 Allowed 'General case' 0 C--N 1.304 -1.408 0 CA-C-N 114.561 -1.2 . . . . 0.0 110.982 173.427 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.541 HE22 ' HB3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -75.82 -16.14 60.13 Favored 'General case' 0 CA--C 1.516 -0.328 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 171.449 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.851 ' HB2' ' HB2' ' A' ' 47' ' ' LEU . 30.7 mtt180 -128.72 163.57 24.84 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 114.816 -1.083 . . . . 0.0 111.14 174.401 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 63.5 m -151.81 123.33 7.86 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 167.775 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 79.8 mt -118.67 137.32 53.02 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.222 -173.255 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 18.4 m -101.21 120.41 40.19 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 -177.758 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.655 HD11 HD22 ' A' ' 58' ' ' ASN . 5.5 tt -115.72 147.43 19.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.492 -172.806 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.402 ' CE1' ' HB2' ' A' ' 57' ' ' GLN . 19.6 t-80 -71.67 126.23 91.58 Favored Pre-proline 0 C--N 1.322 -0.619 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 176.068 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_exo -44.56 -47.43 11.26 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 123.239 2.626 . . . . 0.0 113.002 -177.876 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.402 ' HB2' ' CE1' ' A' ' 55' ' ' HIS . 2.1 mp0 -84.12 71.14 10.6 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.103 177.625 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.655 HD22 HD11 ' A' ' 54' ' ' ILE . 64.9 t30 -135.99 120.89 13.22 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 116.24 -0.436 . . . . 0.0 109.826 177.064 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -51.05 -30.91 33.01 Favored 'Trans proline' 0 C--O 1.234 0.292 0 C-N-CA 123.495 2.797 . . . . 0.0 113.197 -178.567 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.5 m -62.18 -30.83 71.33 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.568 -177.619 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.538 HD13 HD21 ' A' ' 45' ' ' LEU . 37.8 tp -75.48 -38.82 59.31 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.836 -0.345 . . . . 0.0 110.169 -178.042 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.8 m -60.18 -45.85 91.73 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 121.479 0.657 . . . . 0.0 109.355 174.094 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -61.06 -39.76 91.1 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.523 175.929 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.688 ' CZ2' ' HB ' ' A' ' 26' ' ' VAL . 7.6 t-105 -62.11 -37.3 84.58 Favored 'General case' 0 C--O 1.22 -0.461 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.134 -178.857 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -61.48 -39.84 92.38 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.458 -0.497 . . . . 0.0 110.368 177.265 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -66.32 -47.05 74.78 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 121.6 0.714 . . . . 0.0 110.122 175.115 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.572 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 23.0 m170 -72.44 -39.75 67.6 Favored 'General case' 0 C--O 1.22 -0.471 0 CA-C-N 115.133 -0.94 . . . . 0.0 111.8 -172.139 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.591 HE22 HG21 ' A' ' 29' ' ' VAL . 3.4 pt20 -62.35 -33.78 75.38 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 178.029 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -61.9 -30.79 71.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.422 178.925 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -113.82 19.51 16.59 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.732 -178.968 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.572 ' HB2' ' O ' ' A' ' 67' ' ' HIS . 10.1 ttmm -131.17 -163.71 1.35 Allowed 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 -177.965 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.497 HD21 ' O ' ' A' ' 26' ' ' VAL . 9.9 mp . . . . . 0 C--O 1.232 0.167 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -176.793 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.471 ' HA ' ' OE1' ' A' ' 32' ' ' GLN . 10.9 t . . . . . 0 N--CA 1.45 -0.448 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 23.5 t -126.0 126.93 45.11 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.28 -170.121 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 38.9 p -96.83 -44.79 6.91 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.712 -175.562 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.23 102.55 7.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.791 0.329 . . . . 0.0 110.454 -179.617 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 79.0 mt -95.33 133.29 39.41 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.541 -179.755 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.49 ' CE2' ' HB2' ' A' ' 16' ' ' LYS . 22.9 t80 -60.63 -46.8 88.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.335 -178.417 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 68.1 mtp180 69.82 2.16 3.73 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.852 173.772 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.49 ' HB2' ' CE2' ' A' ' 14' ' ' TYR . 14.3 mmmm -122.79 153.2 63.39 Favored Pre-proline 0 C--N 1.32 -0.706 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 179.441 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.811 ' HA ' ' HB2' ' A' ' 60' ' ' SER . 39.0 Cg_exo -61.56 136.73 64.84 Favored 'Trans proline' 0 C--O 1.234 0.301 0 C-N-CA 122.46 2.107 . . . . 0.0 111.977 176.075 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.537 ' HB3' HD11 ' A' ' 22' ' ' LEU . 76.8 mt -86.82 155.42 20.29 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.866 0.365 . . . . 0.0 110.691 -179.104 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.686 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 19.6 m -70.45 138.77 51.46 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.325 178.695 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.553 ' HA ' HD12 ' A' ' 23' ' ' LEU . 1.0 OUTLIER -65.94 -28.12 68.68 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.644 -0.253 . . . . 0.0 110.888 -176.069 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.69 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 27.6 mtpp -61.91 -44.33 97.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.013 179.361 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.686 ' HG ' ' O ' ' A' ' 19' ' ' SER . 4.3 pp -72.97 -26.6 61.42 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.198 178.165 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.553 HD12 ' HA ' ' A' ' 20' ' ' ASP . 75.5 mt -63.01 -31.77 72.99 Favored 'General case' 0 C--O 1.223 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.606 -178.959 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.69 ' HG2' ' O ' ' A' ' 21' ' ' LYS . 14.9 ptm180 -68.18 -1.1 5.43 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-O 121.218 0.533 . . . . 0.0 111.15 179.499 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 52.4 mtmt -118.59 4.27 11.69 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.821 -179.254 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.866 HG22 ' HG ' ' A' ' 47' ' ' LEU . 44.5 t -90.02 105.09 15.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 177.623 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.47 ' HA ' HD21 ' A' ' 72' ' ' LEU . 22.1 pt -89.09 -23.77 6.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 -170.233 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.477 ' HA ' ' OE1' ' A' ' 28' ' ' GLN . 15.8 mm-40 -142.03 155.6 45.41 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.023 0.439 . . . . 0.0 111.917 -176.353 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 35.7 t -116.91 125.2 73.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.162 176.632 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -112.22 122.34 47.47 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.973 0.416 . . . . 0.0 110.333 -173.505 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 15.1 tp -101.14 114.47 28.45 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.56 0.695 . . . . 0.0 111.412 -175.885 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.524 ' O ' ' HA ' ' A' ' 41' ' ' GLN . 7.0 tt0 -90.74 120.55 31.88 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 114.918 -1.037 . . . . 0.0 108.826 173.904 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -96.71 155.46 16.76 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 -179.219 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.07 -13.97 8.44 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 -171.762 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -149.46 11.74 0.79 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.602 0.715 . . . . 0.0 109.49 176.986 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.458 ' O ' ' HB2' ' A' ' 37' ' ' ASP . . . -98.77 97.27 1.84 Allowed Glycine 0 N--CA 1.444 -0.772 0 CA-C-N 115.094 -0.957 . . . . 0.0 111.202 178.837 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.458 ' HB2' ' O ' ' A' ' 36' ' ' GLY . 1.5 m-20 74.71 -10.14 1.23 Allowed 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 123.388 0.675 . . . . 0.0 111.923 -178.232 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.0 t -153.95 -166.76 2.46 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.511 0.196 . . . . 0.0 110.552 -179.971 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 31.1 p-80 -121.91 20.06 10.86 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -175.233 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -155.6 161.89 40.74 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 176.421 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.524 ' HA ' ' O ' ' A' ' 32' ' ' GLN . 7.8 tt0 -101.36 138.29 38.57 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.757 0.313 . . . . 0.0 110.628 178.762 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.548 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -161.51 145.98 13.17 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.622 174.745 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.627 ' CB ' ' HG ' ' A' ' 61' ' ' LEU . 38.8 m-85 -98.05 102.65 14.45 Favored 'General case' 0 C--N 1.314 -0.953 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 173.155 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 58.4 t -96.4 136.69 26.44 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.004 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.716 -175.229 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.518 HD12 HD12 ' A' ' 18' ' ' LEU . 52.5 mt -102.3 123.85 46.84 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 121.242 0.544 . . . . 0.0 111.253 -176.099 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.428 ' HB3' ' HB2' ' A' ' 28' ' ' GLN . 54.2 t-80 -98.77 104.5 16.54 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.477 -175.457 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.866 ' HG ' HG22 ' A' ' 26' ' ' VAL . 5.7 mp -81.89 171.6 14.28 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.092 176.154 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.36 -16.15 59.57 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 112.481 0.549 . . . . 0.0 112.481 -174.81 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.67 5.99 2.93 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.64 -0.424 . . . . 0.0 112.045 -176.502 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -171.0 177.98 3.54 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 120.686 -0.406 . . . . 0.0 111.515 -172.896 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 62.3 m -140.35 136.44 33.18 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.811 0.338 . . . . 0.0 110.762 177.439 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 64.2 mt -117.38 138.2 48.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 178.395 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 48.5 m -101.76 121.59 42.36 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.358 0.599 . . . . 0.0 111.314 -170.935 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.548 ' HB ' ' O ' ' A' ' 43' ' ' PHE . 16.3 mt -115.92 135.42 56.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.698 -175.387 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 50.6 t-80 -60.15 130.43 89.22 Favored Pre-proline 0 C--O 1.225 -0.233 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 173.157 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.548 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 78.1 Cg_exo -49.59 -48.16 20.11 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.931 2.421 . . . . 0.0 112.683 -174.41 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 24.7 mm-40 -79.41 80.61 5.77 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 174.132 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 48.1 t-20 -146.25 126.04 6.83 Favored Pre-proline 0 N--CA 1.451 -0.381 0 CA-C-N 115.483 -0.781 . . . . 0.0 109.525 178.436 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -51.72 -36.99 63.89 Favored 'Trans proline' 0 N--CA 1.465 -0.186 0 C-N-CA 123.363 2.708 . . . . 0.0 112.931 177.44 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.811 ' HB2' ' HA ' ' A' ' 17' ' ' PRO . 35.3 t -62.37 -33.05 73.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.457 -175.768 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.627 ' HG ' ' CB ' ' A' ' 43' ' ' PHE . 0.8 OUTLIER -80.14 -48.5 13.09 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 -177.686 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 18.1 t -59.7 -49.86 76.09 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-O 121.327 0.584 . . . . 0.0 110.216 179.514 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -64.36 -28.66 69.85 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.476 178.205 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.493 ' CZ3' ' HB3' ' A' ' 23' ' ' LEU . 16.3 t-105 -63.58 -42.45 98.28 Favored 'General case' 0 C--O 1.218 -0.6 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.381 177.661 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -54.71 -40.25 69.01 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.771 -0.371 . . . . 0.0 110.677 176.123 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.494 ' O ' ' HB3' ' A' ' 69' ' ' GLU . 41.8 mm-40 -66.44 -50.73 62.39 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 121.528 0.68 . . . . 0.0 111.196 174.701 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.513 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 55.1 m-70 -74.15 -30.17 62.14 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.906 -0.588 . . . . 0.0 112.34 -172.068 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.467 ' HG2' ' O ' ' A' ' 64' ' ' TRP . 12.9 pt20 -69.44 -29.72 67.49 Favored 'General case' 0 CA--C 1.518 -0.281 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 176.093 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.494 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 18.7 tp10 -59.24 -35.52 73.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.263 175.398 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 8.1 ptt180 -113.46 28.37 8.83 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.048 -0.523 . . . . 0.0 112.209 178.071 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.513 ' HB2' ' O ' ' A' ' 67' ' ' HIS . 21.5 ttmt -138.04 -168.34 2.34 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 175.511 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.509 HD21 ' O ' ' A' ' 26' ' ' VAL . 8.9 mp . . . . . 0 C--N 1.343 0.285 0 CA-C-O 121.221 0.534 . . . . 0.0 111.218 -172.062 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.443 -0.785 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 40.8 t -73.96 124.98 27.22 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.651 -1.159 . . . . 0.0 111.525 -173.26 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 33.6 p -103.76 -7.09 20.86 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.878 -179.878 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -148.3 125.87 11.74 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.529 0.68 . . . . 0.0 111.797 -178.257 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.575 HD23 ' SG ' ' A' ' 53' ' ' CYS . 63.7 mt -96.74 145.47 25.78 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.531 -0.758 . . . . 0.0 110.431 -177.474 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -78.73 -27.56 44.85 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 177.374 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.437 HH11 ' HD3' ' A' ' 15' ' ' ARG . 14.6 mmm-85 71.33 -50.95 0.69 Allowed 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 115.336 -0.847 . . . . 0.0 112.117 176.661 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 61.5 tttp -66.38 141.34 97.14 Favored Pre-proline 0 C--N 1.325 -0.487 0 C-N-CA 122.826 0.45 . . . . 0.0 111.454 -178.635 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_exo -57.56 148.05 75.38 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.776 2.317 . . . . 0.0 111.7 170.864 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.625 ' HB3' HD11 ' A' ' 22' ' ' LEU . 63.7 mt -94.29 156.37 16.56 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.931 0.396 . . . . 0.0 111.457 -174.913 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.625 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 12.8 m -81.1 138.86 35.92 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.491 178.549 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.593 ' OD1' ' HE3' ' A' ' 71' ' ' LYS . 25.0 t70 -61.57 -32.04 72.11 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.91 -176.787 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.547 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 89.4 mttt -58.63 -47.48 84.26 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.966 179.866 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.625 HD11 ' HB3' ' A' ' 18' ' ' LEU . 4.6 pp -74.55 -28.99 61.19 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.485 178.461 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.534 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 59.6 mt -61.8 -45.82 92.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.673 -178.44 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.547 ' HG2' ' O ' ' A' ' 21' ' ' LYS . 13.9 ptt180 -57.7 -8.55 0.93 Allowed 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -178.81 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.505 ' HE2' ' HA ' ' A' ' 22' ' ' LEU . 51.6 mtmt -106.31 7.93 31.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.73 0.3 . . . . 0.0 111.719 -177.91 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.542 HG22 ' HG ' ' A' ' 47' ' ' LEU . 91.7 t -75.03 138.96 19.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 174.524 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 28.0 pt -97.56 -41.55 10.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.433 -178.814 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -147.18 151.94 37.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.85 0.357 . . . . 0.0 110.328 -179.13 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.75 HG21 HE22 ' A' ' 68' ' ' GLN . 40.8 t -109.41 136.88 43.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 177.784 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.412 ' CD ' ' HD1' ' A' ' 46' ' ' HIS . 0.6 OUTLIER -132.94 171.25 14.2 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.747 -175.42 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -146.18 139.11 25.65 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.273 178.809 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.504 ' HG2' ' O ' ' A' ' 40' ' ' LEU . 9.7 tt0 -81.21 114.48 20.05 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 171.835 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -64.51 130.72 44.8 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.353 -178.408 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.689 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . . . -70.34 -17.77 63.07 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.888 -175.435 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -141.2 -18.2 0.81 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.132 -178.374 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -71.52 -96.2 0.07 OUTLIER Glycine 0 CA--C 1.519 0.334 0 C-N-CA 121.125 -0.56 . . . . 0.0 113.485 -177.679 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -75.36 -26.53 58.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.388 0.613 . . . . 0.0 110.363 -176.477 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 60.2 m -133.07 -175.74 3.89 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.875 -178.646 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 4.8 p80 -120.09 30.11 7.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.169 0.509 . . . . 0.0 111.155 -178.131 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.504 ' O ' ' HG2' ' A' ' 32' ' ' GLN . 0.8 OUTLIER -157.12 156.65 33.1 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 174.792 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.689 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 7.3 tt0 -104.21 143.69 32.61 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.962 -0.295 . . . . 0.0 111.334 -176.871 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.572 ' HA ' ' HG3' ' A' ' 56' ' ' PRO . . . -162.14 127.58 3.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.127 173.805 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.45 ' HD2' ' HA ' ' A' ' 56' ' ' PRO . 30.2 m-85 -86.36 117.92 25.47 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 175.79 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 24.5 t -114.6 137.48 47.84 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.938 -169.403 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.504 HD22 ' N ' ' A' ' 45' ' ' LEU . 2.7 mm? -109.74 113.83 26.91 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.496 -0.774 . . . . 0.0 109.489 -175.477 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.412 ' HD1' ' CD ' ' A' ' 30' ' ' GLU . 0.5 OUTLIER -105.33 112.81 26.06 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.791 -171.572 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.542 ' HG ' HG22 ' A' ' 26' ' ' VAL . 4.9 mp -100.67 163.44 12.34 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.642 178.495 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.27 -20.57 63.04 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.865 0.364 . . . . 0.0 111.286 -177.145 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.88 -5.37 12.04 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.352 -176.143 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.406 ' HG3' HD13 ' A' ' 47' ' ' LEU . 14.0 ptm180 -169.24 174.48 6.12 Favored 'General case' 0 C--O 1.224 -0.271 0 C-N-CA 121.016 -0.273 . . . . 0.0 110.877 -172.575 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 38.8 m -145.69 123.88 12.21 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.817 0.341 . . . . 0.0 110.378 177.313 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.54 HG21 HD21 ' A' ' 18' ' ' LEU . 54.4 mt -114.18 134.48 56.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.913 178.985 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.575 ' SG ' HD23 ' A' ' 13' ' ' LEU . 42.4 t -104.16 120.38 40.99 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 120.976 0.417 . . . . 0.0 110.412 -178.461 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.53 HG21 ' HB2' ' A' ' 61' ' ' LEU . 0.4 OUTLIER -100.95 144.94 12.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.512 0.672 . . . . 0.0 112.388 -178.526 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.409 ' O ' ' HB2' ' A' ' 58' ' ' ASN . 40.9 t-80 -62.03 124.76 83.28 Favored Pre-proline 0 C--O 1.224 -0.272 0 CA-C-N 114.983 -1.008 . . . . 0.0 109.418 173.291 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.572 ' HG3' ' HA ' ' A' ' 42' ' ' ALA . 93.5 Cg_exo -41.95 -58.03 1.32 Allowed 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 123.341 2.694 . . . . 0.0 113.883 -174.195 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -81.45 78.8 8.18 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.792 -0.448 . . . . 0.0 109.792 175.571 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.438 ' HA ' ' HD2' ' A' ' 59' ' ' PRO . 64.1 t30 -137.84 126.18 14.36 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.399 178.307 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.438 ' HD2' ' HA ' ' A' ' 58' ' ' ASN . 11.0 Cg_endo -54.79 -30.32 67.0 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 122.963 2.442 . . . . 0.0 112.238 177.873 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.541 ' HA ' ' OE1' ' A' ' 63' ' ' GLN . 11.7 t -62.25 -35.52 79.19 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.634 -179.796 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.53 ' HB2' HG21 ' A' ' 54' ' ' ILE . 1.1 tm? -71.0 -47.98 55.72 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 179.92 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.5 m -58.69 -50.66 73.05 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.941 179.557 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.541 ' OE1' ' HA ' ' A' ' 60' ' ' SER . 3.7 pt20 -65.38 -28.39 69.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.439 -178.604 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.534 ' CZ3' ' HB3' ' A' ' 23' ' ' LEU . 12.3 t-105 -68.3 -35.48 77.88 Favored 'General case' 0 C--O 1.219 -0.513 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.994 179.647 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.412 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 6.4 m-85 -62.69 -33.01 74.21 Favored 'General case' 0 C--N 1.319 -0.737 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.24 175.359 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -72.86 -48.81 34.35 Favored 'General case' 0 C--O 1.24 0.59 0 CA-C-O 121.569 0.699 . . . . 0.0 110.367 174.374 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.497 ' O ' ' HG2' ' A' ' 70' ' ' ARG . 12.3 m170 -66.35 -35.86 81.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.562 -177.489 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.75 HE22 HG21 ' A' ' 29' ' ' VAL . 2.0 pt20 -68.06 -29.25 68.17 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.765 -0.458 . . . . 0.0 109.765 179.919 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -62.81 -28.89 70.31 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.161 177.062 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.497 ' HG2' ' O ' ' A' ' 67' ' ' HIS . 8.0 ptp180 -106.57 10.68 31.12 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.534 -178.236 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.593 ' HE3' ' OD1' ' A' ' 20' ' ' ASP . 53.2 mttm -136.59 -154.77 0.57 Allowed 'General case' 0 N--CA 1.468 0.442 0 O-C-N 122.458 -0.151 . . . . 0.0 111.21 179.586 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.9 mp . . . . . 0 C--N 1.345 0.405 0 C-N-CA 123.692 0.797 . . . . 0.0 111.489 -176.12 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 7.4 t . . . . . 0 C--O 1.233 0.231 0 CA-C-O 121.89 0.853 . . . . 0.0 109.264 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 13.0 t -86.6 122.84 31.08 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 114.638 -1.165 . . . . 0.0 110.323 178.146 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.0 t -112.95 5.45 17.3 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.546 176.853 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -135.27 95.17 3.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.777 0.798 . . . . 0.0 111.134 178.413 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.674 HD23 ' SG ' ' A' ' 53' ' ' CYS . 48.5 mt -75.01 142.86 43.78 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.337 -175.756 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 16.8 t80 -75.34 -37.02 60.92 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.638 -0.505 . . . . 0.0 109.638 177.788 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 75.0 mtm180 72.17 -19.55 0.28 Allowed 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 173.327 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -90.64 155.35 45.85 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-O 120.816 0.341 . . . . 0.0 111.439 -177.327 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_endo -76.21 142.39 24.26 Favored 'Trans proline' 0 N--CA 1.461 -0.394 0 C-N-CA 122.494 2.129 . . . . 0.0 111.357 172.494 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.931 ' HB3' HD11 ' A' ' 22' ' ' LEU . 87.2 mt -96.18 144.17 26.63 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 120.945 0.403 . . . . 0.0 110.778 -176.743 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.541 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 17.3 m -70.94 143.81 50.77 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.803 -178.94 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.506 ' HA ' HD12 ' A' ' 23' ' ' LEU . 16.7 t70 -61.69 -30.66 70.89 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.172 -175.826 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.637 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 66.1 mttm -63.21 -46.78 85.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.265 179.094 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.931 HD11 ' HB3' ' A' ' 18' ' ' LEU . 4.5 pp -74.15 -26.64 60.43 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.603 -0.439 . . . . 0.0 110.027 176.874 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.506 HD12 ' HA ' ' A' ' 20' ' ' ASP . 53.7 mt -63.32 -41.63 98.92 Favored 'General case' 0 C--O 1.22 -0.476 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.174 178.223 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.637 ' HG2' ' O ' ' A' ' 21' ' ' LYS . 13.9 ptm180 -64.32 -4.37 3.73 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 121.246 0.546 . . . . 0.0 111.56 -179.084 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.403 ' HD3' ' HA ' ' A' ' 22' ' ' LEU . 40.3 mtpt -103.06 0.13 31.55 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.484 177.538 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.952 HG22 ' HG ' ' A' ' 47' ' ' LEU . 30.5 t -86.79 137.91 20.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 173.812 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 17.7 pt -114.86 -23.68 4.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -175.578 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.498 ' HB2' ' HB3' ' A' ' 46' ' ' HIS . 72.3 mm-40 -143.57 157.54 44.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.976 0.417 . . . . 0.0 111.663 -177.307 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.441 HG23 HE22 ' A' ' 68' ' ' GLN . 20.3 t -116.38 122.66 70.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 172.107 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.618 ' HG3' ' HB ' ' A' ' 44' ' ' VAL . 3.7 pt-20 -116.5 122.61 45.24 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.204 0.526 . . . . 0.0 111.02 -177.667 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 40.7 tp -93.33 121.42 34.69 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.357 -173.76 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -91.46 119.9 31.83 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.193 -0.912 . . . . 0.0 109.675 175.899 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -81.12 151.2 28.4 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.591 -176.537 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.727 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . . . -75.88 -8.55 57.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.807 -173.075 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -146.25 4.09 0.92 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.43 -176.308 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -76.15 -86.96 0.33 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.421 -175.302 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -107.64 5.8 27.23 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.054 0.454 . . . . 0.0 110.058 179.915 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -157.29 154.91 29.81 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.011 -0.736 . . . . 0.0 109.011 -178.335 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -92.57 38.29 1.01 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.16 0.505 . . . . 0.0 110.905 179.969 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.5 tt -157.68 138.13 12.85 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 -176.634 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.727 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 35.6 tt0 -94.55 129.52 41.33 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.948 0.404 . . . . 0.0 110.5 179.658 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.424 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -146.38 151.95 38.3 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.852 -178.454 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.46 ' HB3' ' HG ' ' A' ' 61' ' ' LEU . 22.3 m-85 -109.83 102.45 11.23 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 173.065 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.618 ' HB ' ' HG3' ' A' ' 30' ' ' GLU . 40.9 t -96.36 133.33 38.05 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.425 -173.853 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.655 HD12 HD12 ' A' ' 18' ' ' LEU . 47.2 mt -100.74 122.96 44.25 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.298 0.57 . . . . 0.0 110.784 -179.027 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.498 ' HB3' ' HB2' ' A' ' 28' ' ' GLN . 4.8 t60 -92.85 95.95 9.83 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.068 -0.969 . . . . 0.0 110.214 -176.306 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.952 ' HG ' HG22 ' A' ' 26' ' ' VAL . 6.1 mp -76.71 166.94 22.68 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 174.556 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.35 -17.99 64.97 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 120.943 0.401 . . . . 0.0 111.184 -175.085 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.7 -19.14 10.08 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.385 -175.82 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -162.96 178.08 8.67 Favored 'General case' 0 C--O 1.22 -0.486 0 CA-C-N 116.804 -0.18 . . . . 0.0 111.001 -164.771 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 53.9 m -132.46 139.27 47.92 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.99 0.424 . . . . 0.0 110.418 174.003 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 66.5 mt -116.07 142.98 27.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 179.003 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.674 ' SG ' HD23 ' A' ' 13' ' ' LEU . 41.6 t -102.14 120.85 41.12 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.004 0.43 . . . . 0.0 110.9 -174.378 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -116.31 144.75 23.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-O 121.23 0.538 . . . . 0.0 111.037 -177.269 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 40.9 t-80 -77.54 133.25 67.43 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.359 175.794 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.519 ' O ' ' HB2' ' A' ' 57' ' ' GLN . 51.3 Cg_exo -53.95 151.85 25.58 Favored 'Trans proline' 0 CA--C 1.528 0.183 0 C-N-CA 122.467 2.111 . . . . 0.0 112.07 176.956 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.519 ' HB2' ' O ' ' A' ' 56' ' ' PRO . 20.0 mm-40 76.87 -1.76 2.79 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.01 0.524 . . . . 0.0 112.229 -178.224 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -74.92 123.94 89.25 Favored Pre-proline 0 C--N 1.326 -0.453 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 172.311 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -54.73 -26.35 46.69 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 123.451 2.767 . . . . 0.0 112.552 -175.535 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 21.3 t -60.46 -30.33 69.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.146 -179.337 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.46 ' HG ' ' HB3' ' A' ' 43' ' ' PHE . 0.3 OUTLIER -80.44 -54.63 5.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.743 0.306 . . . . 0.0 110.439 -179.317 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.578 ' O ' ' HB2' ' A' ' 65' ' ' PHE . 5.4 m -60.44 -45.92 91.9 Favored 'General case' 0 C--O 1.242 0.661 0 CA-C-O 121.447 0.642 . . . . 0.0 111.011 -177.332 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -64.7 -31.7 73.05 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.227 177.511 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.561 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 25.7 t-105 -65.58 -33.27 75.52 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.489 177.853 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.578 ' HB2' ' O ' ' A' ' 62' ' ' SER . 2.1 m-85 -52.24 -52.98 49.29 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.147 0.498 . . . . 0.0 110.279 175.614 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -79.07 -31.77 44.52 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 120.216 -0.593 . . . . 0.0 111.186 -179.071 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.529 ' HB2' ' HA ' ' A' ' 64' ' ' TRP . 9.1 m170 -63.25 -44.56 94.84 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.03 178.309 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.561 ' HG2' ' O ' ' A' ' 64' ' ' TRP . 3.9 pt20 -66.61 -31.71 72.58 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-O 120.594 0.235 . . . . 0.0 110.435 -179.59 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -54.66 -36.19 64.34 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.434 178.279 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 26.8 ptt180 -114.68 36.43 3.82 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.954 179.309 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.57 ' HD3' ' HB3' ' A' ' 24' ' ' ARG . 8.0 ttmm -144.02 -157.89 0.83 Allowed 'General case' 0 CA--C 1.535 0.378 0 O-C-N 122.106 -0.371 . . . . 0.0 110.426 -178.054 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.405 HD12 ' N ' ' A' ' 72' ' ' LEU . 7.3 mp . . . . . 0 C--N 1.344 0.329 0 C-N-CA 123.081 0.552 . . . . 0.0 111.844 -178.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 79.5 t80 . . . . . 0 N--CA 1.48 1.071 0 CA-C-O 121.082 0.467 . . . . 0.0 110.362 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.504 ' O ' ' HD3' ' A' ' 4' ' ' PRO . 2.6 pt? -153.08 144.52 23.3 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.635 -0.712 . . . . 0.0 109.1 174.594 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.425 HD13 ' HA ' ' A' ' 3' ' ' LEU . 4.2 mm? -81.2 109.33 13.4 Favored Pre-proline 0 C--N 1.317 -0.83 0 O-C-N 123.333 0.396 . . . . 0.0 110.138 175.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.504 ' HD3' ' O ' ' A' ' 2' ' ' LEU . 20.8 Cg_exo -65.68 141.42 66.17 Favored 'Trans proline' 0 N--CA 1.463 -0.316 0 C-N-CA 122.804 2.336 . . . . 0.0 112.267 -179.617 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.605 ' HG3' ' HE1' ' A' ' 46' ' ' HIS . 73.2 Cg_exo -50.55 130.55 30.15 Favored 'Trans proline' 0 C--O 1.235 0.34 0 C-N-CA 123.235 2.624 . . . . 0.0 112.283 177.372 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.4 p 54.9 30.25 13.56 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 123.715 0.806 . . . . 0.0 111.216 -178.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.2 m -132.82 47.88 2.46 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 172.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.402 ' O ' ' HG3' ' A' ' 32' ' ' GLN . . . -86.36 93.58 9.14 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 114.788 -1.096 . . . . 0.0 111.349 -172.027 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.425 ' HA ' ' HB2' ' A' ' 38' ' ' CYS . 24.4 t -125.09 63.36 1.15 Allowed 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 170.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 75.4 m -71.97 117.75 13.97 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.707 -1.133 . . . . 0.0 111.03 -176.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 16.5 p -92.51 -8.53 44.28 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.655 0.741 . . . . 0.0 109.763 171.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -120.42 157.07 30.11 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 114.938 -1.028 . . . . 0.0 110.506 178.581 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 93.5 mt -135.08 139.87 45.07 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 178.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.604 ' CE2' ' HB2' ' A' ' 16' ' ' LYS . 23.0 t80 -70.9 -46.87 61.77 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.558 -177.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 63.0 mtp180 71.23 10.37 6.73 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 171.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.604 ' HB2' ' CE2' ' A' ' 14' ' ' TYR . 2.1 mptm? -102.15 148.23 35.09 Favored Pre-proline 0 C--N 1.326 -0.431 0 C-N-CA 120.889 -0.324 . . . . 0.0 110.629 175.215 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -69.89 110.99 2.71 Favored 'Trans proline' 0 C--O 1.239 0.549 0 C-N-CA 122.247 1.965 . . . . 0.0 110.712 169.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.616 HD12 HD12 ' A' ' 45' ' ' LEU . 71.0 mt -69.05 144.33 54.04 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.082 0.468 . . . . 0.0 111.123 -173.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.645 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 9.4 m -71.59 131.76 43.68 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.357 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.544 ' HA ' HD12 ' A' ' 23' ' ' LEU . 33.7 t70 -58.73 -28.45 65.86 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.311 0.577 . . . . 0.0 110.724 -178.024 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.605 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 90.6 mttt -59.03 -48.2 82.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.199 -0.909 . . . . 0.0 110.641 177.684 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.645 ' HG ' ' O ' ' A' ' 19' ' ' SER . 4.2 pp -75.3 -27.72 59.44 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.365 176.032 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.594 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 70.5 mt -61.77 -36.29 80.62 Favored 'General case' 0 C--O 1.225 -0.205 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.533 -178.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.605 ' HG2' ' O ' ' A' ' 21' ' ' LYS . 13.2 ptm180 -63.88 -0.42 1.07 Allowed 'General case' 0 N--CA 1.47 0.559 0 O-C-N 122.101 -0.375 . . . . 0.0 111.72 179.527 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -114.32 7.29 16.38 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.882 177.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 1.044 HG22 ' HG ' ' A' ' 47' ' ' LEU . 43.1 t -92.26 89.47 2.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 121.242 0.544 . . . . 0.0 109.689 178.192 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 26.4 pt -75.68 -15.92 15.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.591 -0.732 . . . . 0.0 112.72 -171.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.6 ' HB2' ' HB3' ' A' ' 46' ' ' HIS . 68.5 mm-40 -142.68 151.36 41.31 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.205 0.526 . . . . 0.0 112.007 -175.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.65 HG21 HE22 ' A' ' 68' ' ' GLN . 54.0 t -120.16 115.19 46.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 170.454 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.636 ' HG3' HG22 ' A' ' 44' ' ' VAL . 6.5 pt-20 -110.34 120.75 43.44 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.747 0.784 . . . . 0.0 111.143 -175.571 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 44.5 tp -84.48 120.56 26.46 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 114.895 -1.048 . . . . 0.0 110.808 -177.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.571 ' NE2' ' HG ' ' A' ' 40' ' ' LEU . 45.2 tt0 -80.23 104.29 10.68 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.342 173.63 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -69.88 141.37 53.19 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.516 -179.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.641 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . . . -75.89 4.3 8.42 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.786 -176.216 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -159.29 -39.81 0.06 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.128 178.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -69.82 -7.1 58.26 Favored Glycine 0 CA--C 1.521 0.408 0 CA-C-N 115.664 -0.698 . . . . 0.0 113.89 -176.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -149.19 -49.53 0.15 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 117.551 0.676 . . . . 0.0 110.863 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.425 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 44.8 t -127.39 179.47 5.46 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 178.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 28.3 p-80 -93.99 9.64 36.71 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.757 0.313 . . . . 0.0 111.627 -178.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.571 ' HG ' ' NE2' ' A' ' 32' ' ' GLN . 0.6 OUTLIER -149.82 163.19 38.68 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 174.111 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.641 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 50.5 tt0 -99.91 139.16 35.98 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.895 0.378 . . . . 0.0 111.126 -176.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.594 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -153.19 150.68 29.28 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.638 177.044 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.56 ' O ' ' HB ' ' A' ' 54' ' ' ILE . 15.3 m-85 -106.62 99.51 9.08 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 172.553 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.636 HG22 ' HG3' ' A' ' 30' ' ' GLU . 0.8 OUTLIER -107.55 141.81 21.83 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 C-N-CA 120.048 -0.661 . . . . 0.0 109.917 -175.088 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.616 HD12 HD12 ' A' ' 18' ' ' LEU . 58.0 mt -100.05 132.24 45.52 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.372 -172.413 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.605 ' HE1' ' HG3' ' A' ' 5' ' ' PRO . 22.9 t60 -101.95 101.4 11.81 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.763 -175.2 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 1.044 ' HG ' HG22 ' A' ' 26' ' ' VAL . 5.2 mp -81.94 168.38 17.95 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 173.713 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -76.41 1.38 16.52 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-O 120.804 0.335 . . . . 0.0 111.529 -175.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.403 HE21 ' HB2' ' A' ' 49' ' ' GLN . 0.0 OUTLIER -135.24 -2.36 2.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.003 -178.421 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.431 ' HG3' HD13 ' A' ' 47' ' ' LEU . 8.8 ptp180 -175.73 170.95 2.79 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 120.959 -0.296 . . . . 0.0 111.618 -169.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 59.0 m -133.56 138.75 46.2 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.777 172.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.436 ' O ' ' HB ' ' A' ' 44' ' ' VAL . 61.5 mt -119.45 144.0 29.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 -178.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.531 ' HA ' ' HB ' ' A' ' 44' ' ' VAL . 33.8 m -100.64 121.8 42.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.417 0.627 . . . . 0.0 110.552 -173.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.56 ' HB ' ' O ' ' A' ' 43' ' ' PHE . 6.2 mt -118.45 141.59 37.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.22 -176.239 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.489 ' CE1' ' HB2' ' A' ' 57' ' ' GLN . 36.1 t-80 -61.59 129.69 91.49 Favored Pre-proline 0 C--N 1.331 -0.196 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.486 174.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.594 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 5.4 Cg_endo -49.49 -43.17 39.85 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.797 2.332 . . . . 0.0 112.393 -177.641 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.489 ' HB2' ' CE1' ' A' ' 55' ' ' HIS . 3.1 mp0 -87.32 82.14 7.68 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 173.046 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.426 ' HA ' ' HD2' ' A' ' 59' ' ' PRO . 64.8 t30 -144.38 126.01 8.04 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 116.638 -0.256 . . . . 0.0 110.603 177.6 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' A' ' 58' ' ' ASN . 9.3 Cg_endo -53.75 -30.81 58.36 Favored 'Trans proline' 0 CA--C 1.531 0.355 0 C-N-CA 123.266 2.644 . . . . 0.0 112.783 178.697 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.3 t -63.3 -33.47 75.59 Favored 'General case' 0 N--CA 1.462 0.129 0 C-N-CA 121.165 -0.214 . . . . 0.0 110.887 -178.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.45 -43.67 31.62 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.53 ' HB3' ' HA ' ' A' ' 86' ' ' LYS . 67.9 m -60.39 -49.28 78.21 Favored 'General case' 0 C--O 1.241 0.634 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.538 177.657 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.421 ' HG3' ' O ' ' A' ' 59' ' ' PRO . 47.3 mt-30 -61.42 -31.51 71.45 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-O 121.004 0.43 . . . . 0.0 109.951 177.377 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.624 ' CH2' HD21 ' A' ' 72' ' ' LEU . 15.3 t-105 -67.17 -30.28 70.21 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.771 -179.664 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -61.02 -41.92 97.48 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.979 0.418 . . . . 0.0 110.157 174.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.402 ' OE1' ' HA ' ' A' ' 63' ' ' GLN . 25.1 mt-10 -66.51 -49.93 64.9 Favored 'General case' 0 C--O 1.239 0.552 0 CA-C-O 121.91 0.862 . . . . 0.0 109.99 176.124 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.437 ' HB3' ' HD3' ' A' ' 71' ' ' LYS . 13.6 m170 -66.12 -44.66 83.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.973 -1.012 . . . . 0.0 111.505 -174.123 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.65 HE22 HG21 ' A' ' 29' ' ' VAL . 2.7 pt20 -64.25 -28.95 70.08 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.996 0.427 . . . . 0.0 110.287 -177.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -68.17 -23.0 64.81 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.688 179.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 17.8 ptp180 -111.82 -3.47 14.92 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -178.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.437 ' HD3' ' HB3' ' A' ' 67' ' ' HIS . 23.5 mtpp -121.41 -153.27 0.54 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.667 -0.242 . . . . 0.0 110.542 -177.548 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.624 HD21 ' CH2' ' A' ' 64' ' ' TRP . 2.5 mm? 53.39 20.97 2.17 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 112.991 0.737 . . . . 0.0 112.991 -177.201 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 50.8 t-80 68.54 -4.38 1.15 Allowed 'General case' 0 CA--C 1.536 0.414 0 O-C-N 123.36 0.413 . . . . 0.0 111.491 176.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 103.39 25.55 7.32 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.831 -178.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 25.4 p -119.29 118.86 32.38 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 117.016 0.408 . . . . 0.0 110.777 176.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.402 HD11 ' HG3' ' A' ' 68' ' ' GLN . 21.7 mt -144.31 157.11 57.07 Favored Pre-proline 0 N--CA 1.45 -0.464 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.218 -179.615 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -84.49 -179.23 3.72 Favored 'Trans proline' 0 N--CA 1.46 -0.491 0 C-N-CA 123.272 2.648 . . . . 0.0 112.208 178.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm -85.83 78.02 9.61 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.129 0.49 . . . . 0.0 110.627 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.424 ' HB3' ' HD2' ' A' ' 81' ' ' PHE . 75.1 mt -103.18 114.33 28.54 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.474 177.394 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 47.8 m-80 -91.31 58.2 3.58 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 177.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.439 ' HA ' ' SD ' ' A' ' 83' ' ' MET . 37.9 p90 -80.63 36.28 0.38 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.924 -1.034 . . . . 0.0 111.694 -172.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -73.22 -10.7 78.85 Favored Glycine 0 N--CA 1.448 -0.511 0 CA-C-N 115.888 -0.597 . . . . 0.0 112.747 -176.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.439 ' SD ' ' HA ' ' A' ' 81' ' ' PHE . 0.0 OUTLIER -78.41 -14.23 59.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.013 0.435 . . . . 0.0 110.56 178.413 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.4 mp -111.13 -81.99 0.58 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.629 175.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.405 ' C ' ' H ' ' A' ' 87' ' ' MET . 81.9 mtt180 42.44 68.91 0.42 Allowed 'General case' 0 N--CA 1.469 0.524 0 O-C-N 123.549 0.53 . . . . 0.0 112.314 -178.02 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.53 ' HA ' ' HB3' ' A' ' 62' ' ' SER . 52.4 tptt 73.55 -25.07 0.2 Allowed 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 175.27 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.405 ' H ' ' C ' ' A' ' 85' ' ' ARG . 54.5 mtm -84.9 26.14 0.87 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.977 0.418 . . . . 0.0 111.059 -177.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.087 0 CA-C-O 118.187 -1.34 . . . . 0.0 111.04 176.772 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 27.7 p90 . . . . . 0 N--CA 1.478 0.932 0 CA-C-O 121.359 0.599 . . . . 0.0 110.722 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 9.8 tt -107.74 116.64 32.32 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 172.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.495 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 3.8 mm? -70.15 116.46 44.71 Favored Pre-proline 0 C--N 1.324 -0.526 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 176.584 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.464 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 75.3 Cg_exo -50.09 138.68 35.73 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 123.16 2.574 . . . . 0.0 112.337 -179.268 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.464 ' HD3' ' HA ' ' A' ' 4' ' ' PRO . 79.6 Cg_exo -49.22 120.93 6.16 Favored 'Trans proline' 0 C--O 1.235 0.356 0 C-N-CA 123.341 2.694 . . . . 0.0 113.041 -177.205 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.8 m 67.03 16.04 10.25 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.283 177.154 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.3 m -111.61 67.03 0.64 Allowed 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 173.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -93.29 108.74 20.33 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.253 -0.885 . . . . 0.0 112.263 -169.059 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 38.0 t -145.74 99.13 3.23 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.466 -0.788 . . . . 0.0 108.937 170.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 71.4 m -106.21 130.61 54.05 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.179 0.514 . . . . 0.0 111.528 -174.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.9 p -97.9 4.76 49.52 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.496 176.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -144.99 158.64 43.75 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.325 179.119 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.422 HD13 ' HB2' ' A' ' 55' ' ' HIS . 82.3 mt -137.48 143.96 42.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.048 0.451 . . . . 0.0 110.934 -177.016 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -81.82 -36.76 28.0 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.3 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 72.48 -59.36 0.56 Allowed 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.798 0.839 . . . . 0.0 112.294 177.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.422 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 26.9 mtpp -62.24 149.77 86.26 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 115.769 -0.65 . . . . 0.0 112.006 -171.52 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 16' ' ' LYS . 24.3 Cg_exo -63.85 122.69 10.83 Favored 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 122.913 2.408 . . . . 0.0 112.063 176.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.772 HD12 HD12 ' A' ' 45' ' ' LEU . 80.9 mt -76.05 172.63 12.44 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.343 179.356 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.484 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 31.7 t -93.63 142.97 26.75 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.735 0.302 . . . . 0.0 110.491 179.307 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -59.07 -28.87 66.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.194 178.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.454 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 58.5 mttp -57.17 -44.99 84.05 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.69 177.646 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.404 ' HG ' ' HB3' ' A' ' 19' ' ' SER . 0.6 OUTLIER -73.95 -35.07 64.51 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-O 121.512 0.672 . . . . 0.0 109.335 -179.737 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' A' ' 19' ' ' SER . 79.0 mt -64.98 -36.36 84.14 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.856 -1.065 . . . . 0.0 111.77 -173.758 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.707 ' HB3' ' HD3' ' A' ' 71' ' ' LYS . 15.6 ptt180 -70.75 4.04 2.79 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 121.057 0.456 . . . . 0.0 111.274 179.248 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.4 mtmt -114.89 6.45 15.41 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.128 178.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.534 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 13.6 t -74.77 141.8 15.5 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.703 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.356 177.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.612 HD13 ' HA ' ' A' ' 48' ' ' ALA . 13.6 pt -107.67 -23.51 4.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.327 -179.702 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -155.17 154.32 32.12 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.293 0.568 . . . . 0.0 112.106 -177.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.492 HG11 HE22 ' A' ' 68' ' ' GLN . 0.0 OUTLIER -120.21 116.81 51.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.411 170.847 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -122.15 154.49 37.36 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.225 0.536 . . . . 0.0 111.36 -177.43 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 66.3 tp -119.94 124.37 45.82 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.086 -178.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.564 ' O ' ' HA ' ' A' ' 41' ' ' GLN . 48.2 tt0 -81.84 115.62 21.13 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 168.782 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -83.09 151.86 25.58 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.742 0.306 . . . . 0.0 110.821 -175.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.6 -2.17 18.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.525 -175.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -147.96 -30.41 0.3 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.836 176.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -70.99 94.38 0.53 Allowed Glycine 0 N--CA 1.449 -0.456 0 CA-C-N 115.832 -0.622 . . . . 0.0 112.744 177.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.7 t70 99.03 -40.68 0.01 OUTLIER 'General case' 0 CA--C 1.507 -0.703 0 C-N-CA 125.234 1.414 . . . . 0.0 108.68 170.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 99.2 m -143.48 171.36 14.26 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 114.74 -1.118 . . . . 0.0 109.955 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 27.3 t60 -106.67 64.86 0.66 Allowed 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 121.064 -0.254 . . . . 0.0 111.523 -175.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.533 ' O ' ' HG2' ' A' ' 32' ' ' GLN . 1.1 pp 178.49 149.7 0.23 Allowed 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 171.188 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.564 ' HA ' ' O ' ' A' ' 32' ' ' GLN . 9.3 tt0 -99.3 136.91 38.56 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.742 0.306 . . . . 0.0 110.984 -176.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -156.13 136.4 13.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.883 178.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -92.77 122.07 34.8 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 174.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 41.8 t -110.55 122.27 64.78 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-O 121.116 0.484 . . . . 0.0 111.201 -173.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.772 HD12 HD12 ' A' ' 18' ' ' LEU . 50.8 mt -94.61 115.97 28.2 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.731 178.382 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -102.86 102.89 13.02 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.367 -170.084 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.534 ' HA ' ' HA ' ' A' ' 26' ' ' VAL . 6.2 mp -85.71 159.17 19.86 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 172.4 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.612 ' HA ' HD13 ' A' ' 27' ' ' ILE . . . -64.18 -20.98 66.38 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.897 0.379 . . . . 0.0 111.617 -177.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -89.16 -47.78 7.85 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.228 0.537 . . . . 0.0 109.803 -178.779 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.424 ' O ' ' HB2' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -165.27 167.88 17.51 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.333 -0.849 . . . . 0.0 109.855 -179.075 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.495 ' OG ' ' HB2' ' A' ' 3' ' ' LEU . 3.6 p -108.59 153.45 23.37 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.037 0.446 . . . . 0.0 111.339 -176.235 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 73.0 mt -120.8 136.93 56.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.266 177.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 46.1 m -102.28 121.51 42.42 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.934 0.397 . . . . 0.0 110.073 -175.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.558 HG21 HD23 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -114.17 145.71 19.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-O 121.148 0.499 . . . . 0.0 110.779 -176.208 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.436 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 50.6 t-80 -71.21 133.92 85.33 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.144 174.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 55' ' ' HIS . 24.0 Cg_exo -64.7 179.18 1.42 Allowed 'Trans proline' 0 CA--C 1.528 0.213 0 C-N-CA 122.562 2.175 . . . . 0.0 111.867 177.547 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 23.8 mp0 56.12 28.74 13.46 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 121.203 0.525 . . . . 0.0 110.357 -176.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.435 ' HB2' ' O ' ' A' ' 55' ' ' HIS . 64.1 t30 -113.36 127.75 26.46 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.053 -171.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.404 ' HD2' ' OD1' ' A' ' 58' ' ' ASN . 76.4 Cg_exo -52.37 -33.5 56.53 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 123.273 2.649 . . . . 0.0 113.361 178.7 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.4 m -55.76 -57.29 12.66 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-O 120.941 0.4 . . . . 0.0 111.0 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.558 HD23 HG21 ' A' ' 54' ' ' ILE . 0.1 OUTLIER -62.2 -36.79 82.99 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.972 178.009 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.533 ' HA ' ' CD2' ' A' ' 65' ' ' PHE . 19.6 m -61.36 -50.81 71.42 Favored 'General case' 0 C--O 1.245 0.863 0 CA-C-O 121.594 0.712 . . . . 0.0 110.875 -178.612 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -60.67 -36.56 79.04 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.364 -0.835 . . . . 0.0 109.874 176.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.502 ' HA ' ' HB2' ' A' ' 67' ' ' HIS . 10.5 t-105 -67.65 -30.28 69.79 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.053 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.547 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 15.3 m-85 -53.63 -52.09 61.01 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.043 0.449 . . . . 0.0 110.406 175.046 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.439 ' O ' ' HB3' ' A' ' 69' ' ' GLU . 8.4 mm-40 -79.15 -32.06 44.24 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.415 -0.514 . . . . 0.0 111.943 -179.369 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.502 ' HB2' ' HA ' ' A' ' 64' ' ' TRP . 7.6 m170 -67.39 -35.43 79.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.969 178.367 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.547 ' HG2' ' O ' ' A' ' 65' ' ' PHE . 1.8 pt20 -74.72 -27.09 60.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.216 0.531 . . . . 0.0 110.124 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.439 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 15.0 tp10 -59.35 -33.34 71.03 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.117 175.759 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -113.25 30.95 6.8 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.366 -177.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.707 ' HD3' ' HB3' ' A' ' 24' ' ' ARG . 12.6 ttmm -149.89 -150.13 0.33 Allowed 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 110.217 -0.29 . . . . 0.0 110.217 -176.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.531 HD12 ' O ' ' A' ' 26' ' ' VAL . 2.2 mm? 49.19 35.02 6.66 Favored 'General case' 0 N--CA 1.466 0.375 0 N-CA-C 112.878 0.696 . . . . 0.0 112.878 -176.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 86.2 t60 67.99 5.87 4.83 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 121.2 0.524 . . . . 0.0 110.934 175.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 80.4 43.14 9.64 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.945 -0.645 . . . . 0.0 111.788 -177.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.484 ' O ' ' HB2' ' A' ' 76' ' ' LEU . 37.8 p -98.53 -164.0 1.09 Allowed 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 174.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.484 ' HB2' ' O ' ' A' ' 75' ' ' THR . 96.8 mt 80.31 154.13 0.13 Allowed Pre-proline 0 C--N 1.323 -0.55 0 O-C-N 123.905 0.753 . . . . 0.0 111.877 171.288 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.495 ' HB2' ' CD2' ' A' ' 79' ' ' LEU . 72.4 Cg_endo -82.74 111.46 2.0 Allowed 'Trans proline' 0 N--CA 1.453 -0.856 0 C-N-CA 122.89 2.393 . . . . 0.0 111.187 174.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 63.3 mttm -76.44 92.29 3.38 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.584 0.706 . . . . 0.0 111.541 -174.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.495 ' CD2' ' HB2' ' A' ' 77' ' ' PRO . 0.8 OUTLIER -161.64 -162.53 0.88 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.758 -1.11 . . . . 0.0 108.875 179.733 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.781 ' HA ' ' HB2' ' A' ' 85' ' ' ARG . 0.7 OUTLIER -77.99 44.52 0.48 Allowed 'General case' 0 C--N 1.312 -1.034 0 CA-C-O 120.992 0.425 . . . . 0.0 110.607 174.158 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 34.8 p90 -67.5 -26.32 66.29 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.196 0.522 . . . . 0.0 111.245 -176.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -97.45 26.62 22.25 Favored Glycine 0 N--CA 1.448 -0.558 0 N-CA-C 111.09 -0.804 . . . . 0.0 111.09 174.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 68.4 mtm 68.41 -64.35 0.31 Allowed 'General case' 0 CA--C 1.522 -0.1 0 C-N-CA 124.229 1.012 . . . . 0.0 112.158 -178.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.531 HD11 ' CD2' ' A' ' 65' ' ' PHE . 1.0 OUTLIER -90.92 7.31 40.76 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 115.356 -0.838 . . . . 0.0 112.514 -174.168 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.781 ' HB2' ' HA ' ' A' ' 80' ' ' ASN . 14.8 mmm180 -60.68 140.31 57.53 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 111.667 0.247 . . . . 0.0 111.667 -176.034 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 27.5 mtpp 73.31 -22.25 0.24 Allowed 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.88 177.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.425 ' H ' ' C ' ' A' ' 85' ' ' ARG . 70.1 mtm -88.15 -25.05 23.16 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 172.08 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.123 0 CA-C-O 118.528 -1.151 . . . . 0.0 111.352 177.72 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 76.4 t80 . . . . . 0 N--CA 1.48 1.026 0 CA-C-O 120.955 0.407 . . . . 0.0 110.609 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.0 pp -92.0 138.82 31.22 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 172.111 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.411 ' HA ' ' HD3' ' A' ' 4' ' ' PRO . 0.3 OUTLIER -61.83 117.94 33.6 Favored Pre-proline 0 C--N 1.318 -0.772 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 176.705 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.663 ' HB2' ' HB ' ' A' ' 7' ' ' THR . 53.6 Cg_exo -52.18 129.73 32.4 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.983 2.455 . . . . 0.0 112.46 -175.676 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 4' ' ' PRO . 94.7 Cg_exo -46.17 112.52 0.46 Allowed 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 123.806 3.004 . . . . 0.0 113.442 -177.731 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.526 ' HA ' ' OE1' ' A' ' 30' ' ' GLU . 59.8 m 63.91 24.11 13.56 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 115.701 -0.681 . . . . 0.0 112.015 176.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.663 ' HB ' ' HB2' ' A' ' 4' ' ' PRO . 27.8 m -108.32 72.25 0.83 Allowed 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 169.154 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -79.48 94.83 5.65 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.79 -1.096 . . . . 0.0 111.76 -169.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 3.5 t -147.2 94.5 2.41 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 172.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.483 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 71.0 m -99.3 118.51 36.13 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.567 -171.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 18.1 p -84.99 2.97 40.67 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.172 173.29 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.483 ' O ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -151.55 167.94 26.48 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.983 -1.008 . . . . 0.0 109.807 -179.548 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.434 HD13 ' HB3' ' A' ' 55' ' ' HIS . 96.7 mt -135.48 152.16 51.09 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.622 0.249 . . . . 0.0 110.892 -177.519 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.427 ' CE2' ' HB2' ' A' ' 16' ' ' LYS . 72.1 t80 -89.26 -41.72 12.02 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 175.73 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 75.3 mtm180 74.85 -51.64 0.67 Allowed 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 115.226 -0.897 . . . . 0.0 112.858 173.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.427 ' HB2' ' CE2' ' A' ' 14' ' ' TYR . 47.9 mtmt -63.31 148.94 92.51 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-O 120.482 0.182 . . . . 0.0 111.182 -177.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.38 147.8 83.36 Favored 'Trans proline' 0 C--O 1.236 0.423 0 C-N-CA 122.904 2.403 . . . . 0.0 112.359 178.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.701 HD12 HD12 ' A' ' 45' ' ' LEU . 69.0 mt -95.62 161.26 14.12 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.11 -175.546 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.699 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 42.4 m -86.73 130.76 34.35 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.13 -178.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.421 ' HA ' HD12 ' A' ' 23' ' ' LEU . 14.7 t70 -56.8 -31.44 64.69 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.39 -176.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.0 mmtm -63.46 -40.94 98.47 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.908 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.699 ' HG ' ' O ' ' A' ' 19' ' ' SER . 4.5 pp -75.54 -29.94 59.57 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.405 -0.518 . . . . 0.0 109.943 174.689 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.717 ' HB3' ' CH2' ' A' ' 64' ' ' TRP . 73.3 mt -65.86 -42.83 89.91 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.921 -176.257 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 48.8 ptt85 -59.63 -17.51 34.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.803 0.335 . . . . 0.0 111.098 177.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.423 ' HE2' ' HA ' ' A' ' 22' ' ' LEU . 50.0 mtmt -97.63 2.3 49.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.976 0.417 . . . . 0.0 110.958 -179.122 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.875 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 17.8 t -71.23 145.06 12.84 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.773 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 173.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.432 HD13 ' HA ' ' A' ' 48' ' ' ALA . 37.1 pt -112.62 -28.81 2.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 C-N-CA 120.896 -0.321 . . . . 0.0 111.453 -178.417 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 74.8 mm-40 -149.4 153.03 36.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.124 0.487 . . . . 0.0 111.616 -177.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.7 p -106.68 132.69 53.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.262 -0.881 . . . . 0.0 108.744 170.293 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.526 ' OE1' ' HA ' ' A' ' 6' ' ' SER . 2.9 pt-20 -128.72 162.43 27.41 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.115 0.483 . . . . 0.0 111.289 -175.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 47.3 tp -134.05 117.78 17.03 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.288 -173.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.695 ' O ' ' HA ' ' A' ' 41' ' ' GLN . 8.4 tt0 -74.86 111.1 9.73 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 168.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -88.19 145.73 25.75 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 121.102 0.477 . . . . 0.0 111.599 -176.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -77.37 0.42 22.48 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.877 -174.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -156.44 -27.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 111.79 0.292 . . . . 0.0 111.79 179.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -83.1 12.25 50.84 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 120.699 -0.762 . . . . 0.0 113.633 -174.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -177.71 -56.62 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.232 0.539 . . . . 0.0 109.946 179.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.431 ' SG ' ' HG3' ' A' ' 32' ' ' GLN . 14.4 m -111.59 -166.88 1.12 Allowed 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 176.013 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -114.99 0.15 13.58 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.019 -0.673 . . . . 0.0 111.637 178.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -127.66 162.01 27.53 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 175.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.695 ' HA ' ' O ' ' A' ' 32' ' ' GLN . 35.9 tt0 -116.13 134.47 54.9 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.01 0.433 . . . . 0.0 111.811 -173.005 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.606 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -154.61 133.27 12.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.815 178.154 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -85.18 113.56 21.64 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.378 0.608 . . . . 0.0 109.711 174.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.5 HG13 ' O ' ' A' ' 52' ' ' ILE . 80.1 t -110.11 137.84 40.58 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.934 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.531 -172.242 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.701 HD12 HD12 ' A' ' 18' ' ' LEU . 82.5 mt -107.57 125.2 51.01 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.2 -177.262 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.441 ' HB2' ' CD ' ' A' ' 30' ' ' GLU . 11.3 t-160 -112.84 109.45 18.92 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.645 -0.707 . . . . 0.0 112.174 -168.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.875 ' HA ' ' HA ' ' A' ' 26' ' ' VAL . 5.5 mp -78.87 167.76 20.69 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 171.595 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.432 ' HA ' HD13 ' A' ' 27' ' ' ILE . . . -58.98 -17.6 26.4 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 112.041 0.386 . . . . 0.0 112.041 -177.495 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.404 ' HB2' ' HG3' ' A' ' 50' ' ' ARG . 3.3 mp0 -103.82 -51.28 3.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.807 0.337 . . . . 0.0 110.922 -178.639 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.404 ' HG3' ' HB2' ' A' ' 49' ' ' GLN . 0.0 OUTLIER -147.31 169.62 19.04 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.837 0.31 . . . . 0.0 111.837 -170.6 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.432 ' HB3' ' CG1' ' A' ' 44' ' ' VAL . 53.4 m -112.35 156.98 21.57 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.251 -179.236 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.5 ' O ' HG13 ' A' ' 44' ' ' VAL . 54.4 mt -123.41 143.81 35.19 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 177.149 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 59.2 m -101.73 121.9 42.92 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 121.348 0.594 . . . . 0.0 112.303 -171.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 15.0 mt -131.1 143.13 41.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.261 -0.881 . . . . 0.0 109.877 178.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.434 ' HB3' HD13 ' A' ' 13' ' ' LEU . 6.0 p80 -86.16 145.62 40.87 Favored Pre-proline 0 C--N 1.33 -0.255 0 C-N-CA 120.208 -0.597 . . . . 0.0 109.409 177.249 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.606 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 81.8 Cg_exo -43.03 -53.47 4.03 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 124.035 3.157 . . . . 0.0 114.863 -169.676 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -80.91 71.66 7.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.119 0.485 . . . . 0.0 110.918 -177.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.404 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 24.1 t-20 -133.43 131.23 21.37 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.402 -178.314 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 58' ' ' ASN . 50.3 Cg_exo -55.68 -35.03 92.37 Favored 'Trans proline' 0 CA--C 1.528 0.194 0 C-N-CA 123.198 2.599 . . . . 0.0 113.13 -178.37 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 10.8 t -73.29 -24.86 60.47 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.749 -0.205 . . . . 0.0 111.055 -175.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -79.84 -45.77 18.1 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 -177.312 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.17 -50.87 68.65 Favored 'General case' 0 C--O 1.247 0.965 0 CA-C-O 121.579 0.704 . . . . 0.0 111.175 -178.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.4 pp0? -60.34 -28.23 67.99 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.928 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.717 ' CH2' ' HB3' ' A' ' 23' ' ' LEU . 26.9 t-105 -73.18 -31.11 64.02 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-N 115.476 -0.783 . . . . 0.0 111.058 -179.321 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.445 ' CD1' ' HB2' ' A' ' 81' ' ' PHE . 14.4 m-85 -56.35 -44.84 80.48 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.487 176.315 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.411 ' O ' ' HB3' ' A' ' 69' ' ' GLU . 51.6 mt-10 -70.68 -40.21 73.06 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-O 121.425 0.631 . . . . 0.0 110.966 178.112 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 62.9 m170 -77.03 -34.96 57.25 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.903 -173.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.673 ' HB2' HD22 ' A' ' 72' ' ' LEU . 10.8 pt20 -69.05 -28.18 66.31 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 177.378 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.411 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 34.6 tt0 -61.24 -36.55 80.28 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.157 176.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -97.25 1.37 49.57 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.465 179.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.498 ' HD2' ' CH2' ' A' ' 64' ' ' TRP . 60.2 mttm -122.24 -149.72 0.43 Allowed 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 109.252 -0.648 . . . . 0.0 109.252 174.344 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.673 HD22 ' HB2' ' A' ' 68' ' ' GLN . 10.8 mp 51.35 29.55 5.23 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 175.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 7.5 t-80 72.49 -7.26 1.42 Allowed 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.103 0.478 . . . . 0.0 111.408 176.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 80.58 -14.4 24.28 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 121.236 -0.507 . . . . 0.0 112.763 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.4 p -85.27 86.36 7.38 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.471 0.653 . . . . 0.0 110.894 -179.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 77.6 mt -137.52 150.01 67.01 Favored Pre-proline 0 C--N 1.318 -0.787 0 CA-C-N 115.151 -0.931 . . . . 0.0 109.478 -175.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -86.66 160.21 9.24 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 122.949 2.432 . . . . 0.0 112.508 -178.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 24.2 ttpp -78.65 87.06 4.59 Favored 'General case' 0 N--CA 1.444 -0.759 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 176.102 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -91.25 21.43 4.41 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.242 0.544 . . . . 0.0 110.426 -179.748 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.674 ' O ' ' HG3' ' A' ' 83' ' ' MET . 75.0 m-20 64.71 30.75 12.35 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.816 -1.083 . . . . 0.0 110.458 178.584 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.445 ' HB2' ' CD1' ' A' ' 65' ' ' PHE . 44.2 p90 -69.16 -12.1 61.38 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.386 -176.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -59.8 -29.12 66.82 Favored Glycine 0 N--CA 1.45 -0.38 0 CA-C-N 116.116 -0.493 . . . . 0.0 112.793 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.674 ' HG3' ' O ' ' A' ' 80' ' ' ASN . 0.0 OUTLIER -73.32 -8.37 55.56 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 111.838 0.31 . . . . 0.0 111.838 -178.015 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.481 ' HA ' ' HA3' ' A' ' 88' ' ' GLY . 0.4 OUTLIER -123.39 -1.09 8.66 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.161 0.505 . . . . 0.0 109.975 178.91 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 85' ' ' ARG . 19.8 ttm180 -73.83 85.89 1.71 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.946 176.718 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? 67.32 1.04 2.31 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.394 0.616 . . . . 0.0 111.108 178.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 68.3 mtm -123.39 19.04 9.76 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.452 0.644 . . . . 0.0 109.877 -179.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.481 ' HA3' ' HA ' ' A' ' 84' ' ' LEU . . . . . . . . 0 C--O 1.252 1.275 0 CA-C-O 118.154 -1.359 . . . . 0.0 110.941 179.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 80.1 t80 . . . . . 0 N--CA 1.479 0.985 0 CA-C-O 120.85 0.357 . . . . 0.0 110.512 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 10.1 tt -63.35 113.63 3.35 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 176.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -67.74 117.89 52.37 Favored Pre-proline 0 N--CA 1.452 -0.349 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 175.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.514 ' HB2' ' HB ' ' A' ' 7' ' ' THR . 36.1 Cg_exo -61.72 130.44 31.4 Favored 'Trans proline' 0 N--CA 1.462 -0.349 0 C-N-CA 122.74 2.293 . . . . 0.0 111.839 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 4' ' ' PRO . 56.9 Cg_exo -52.95 126.55 21.77 Favored 'Trans proline' 0 C--O 1.234 0.293 0 C-N-CA 122.886 2.391 . . . . 0.0 112.443 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.1 m 66.16 28.22 10.2 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 121.235 0.541 . . . . 0.0 111.173 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.514 ' HB ' ' HB2' ' A' ' 4' ' ' PRO . 39.1 m -134.31 91.52 2.81 Favored 'General case' 0 N--CA 1.445 -0.676 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 172.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -108.01 107.98 18.9 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.17 -170.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -146.55 86.63 1.68 Allowed 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 170.539 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.434 ' SG ' ' NE2' ' A' ' 12' ' ' GLN . 8.7 t -112.13 148.89 33.02 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 114.917 -1.038 . . . . 0.0 111.178 -169.584 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 21.7 p -121.3 0.98 10.18 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.363 177.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.611 ' O ' ' HB2' ' A' ' 53' ' ' CYS . 0.0 OUTLIER -107.84 97.93 7.58 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 179.011 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.452 HD13 ' HB2' ' A' ' 55' ' ' HIS . 86.9 mt -94.8 112.55 24.27 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.054 0.454 . . . . 0.0 110.457 -177.137 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.554 ' CE2' ' HE2' ' A' ' 16' ' ' LYS . 31.2 t80 -63.59 -57.2 10.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.296 -0.866 . . . . 0.0 111.876 -172.354 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 71.0 mtm180 61.83 71.19 0.55 Allowed 'General case' 0 N--CA 1.468 0.451 0 O-C-N 123.458 0.474 . . . . 0.0 112.105 178.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.554 ' HE2' ' CE2' ' A' ' 14' ' ' TYR . 33.3 ttpt -176.02 143.54 0.66 Allowed Pre-proline 0 C--N 1.327 -0.386 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 177.155 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.93 ' HA ' ' HB2' ' A' ' 60' ' ' SER . 49.5 Cg_exo -57.01 122.46 11.86 Favored 'Trans proline' 0 C--O 1.233 0.268 0 C-N-CA 122.34 2.027 . . . . 0.0 112.069 174.118 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.417 HD11 HG21 ' A' ' 52' ' ' ILE . 80.9 mt -83.96 157.04 22.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.579 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.646 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 13.6 m -74.41 131.56 41.19 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.315 178.745 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.491 ' HA ' HD12 ' A' ' 23' ' ' LEU . 18.8 t70 -59.28 -29.24 67.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.134 0.492 . . . . 0.0 110.494 -178.35 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.472 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 13.1 mmmm -57.03 -47.64 80.42 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.379 177.585 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.646 ' HG ' ' O ' ' A' ' 19' ' ' SER . 4.3 pp -75.16 -31.21 60.95 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.162 177.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.575 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 71.9 mt -60.85 -40.77 94.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.706 -177.375 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.502 ' HB3' ' HD3' ' A' ' 71' ' ' LYS . 28.2 ptt180 -64.58 2.31 0.67 Allowed 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -178.598 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.531 ' HB2' HD23 ' A' ' 47' ' ' LEU . 48.7 mtmt -113.63 -0.75 14.22 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.044 178.593 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.621 ' HA ' ' HG ' ' A' ' 47' ' ' LEU . 41.4 t -72.41 105.74 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 179.781 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 35.7 pt -74.11 -32.09 31.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.989 -168.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 23.6 mm-40 -150.46 155.33 39.32 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.763 0.316 . . . . 0.0 110.563 178.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 87.1 t -115.42 134.26 59.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.598 176.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.414 ' HG2' ' O ' ' A' ' 44' ' ' VAL . 4.7 pt-20 -130.52 141.3 50.49 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.274 0.559 . . . . 0.0 111.436 -175.446 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 44.0 tp -104.48 113.12 26.49 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.886 178.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.428 ' O ' ' HA ' ' A' ' 41' ' ' GLN . 52.9 tt0 -79.9 107.83 12.99 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.231 174.491 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -79.29 141.13 37.3 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.079 -176.264 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.679 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . . . -83.2 15.62 2.81 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.583 -0.735 . . . . 0.0 112.194 -174.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -157.67 -49.85 0.07 Allowed 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.788 -0.365 . . . . 0.0 111.555 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -62.23 -32.76 83.76 Favored Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.929 -0.653 . . . . 0.0 112.961 -178.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -117.29 -65.7 1.16 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.852 0.358 . . . . 0.0 110.244 -178.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 35.2 m -113.54 -170.05 1.62 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.322 -176.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 7.1 p80 -96.68 -6.16 37.15 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 121.006 -0.278 . . . . 0.0 111.288 178.489 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.0 pp -135.32 153.86 51.72 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 -178.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.679 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 59.5 tt0 -98.8 138.07 36.48 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 123.433 0.458 . . . . 0.0 110.588 -176.45 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.513 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -151.96 143.59 23.56 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.099 0.476 . . . . 0.0 111.02 178.678 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.543 ' O ' ' HB ' ' A' ' 54' ' ' ILE . 62.3 m-85 -102.25 100.63 10.84 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 172.197 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.414 ' O ' ' HG2' ' A' ' 30' ' ' GLU . 24.1 t -101.25 125.38 55.23 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.996 0 CA-C-O 121.265 0.555 . . . . 0.0 110.496 -172.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 73.1 mt -95.25 115.24 27.16 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.421 -179.066 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -101.95 112.13 24.65 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.177 -169.159 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.621 ' HG ' ' HA ' ' A' ' 26' ' ' VAL . 5.6 mp -100.56 166.36 10.95 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 174.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.38 -11.88 60.37 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.061 0.458 . . . . 0.0 110.926 -176.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.41 -23.75 10.14 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.808 -178.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 50' ' ' ARG . 9.9 ptm180 -163.07 171.25 16.71 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.746 -166.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 17.0 m -141.67 128.18 20.13 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.925 0.393 . . . . 0.0 110.456 178.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.417 HG21 HD11 ' A' ' 18' ' ' LEU . 4.3 mp -106.35 131.81 55.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 177.115 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.611 ' HB2' ' O ' ' A' ' 12' ' ' GLN . 22.4 m -102.0 120.85 41.08 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.275 0.56 . . . . 0.0 109.908 -177.736 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.547 HG21 ' HB2' ' A' ' 61' ' ' LEU . 1.8 mt -106.69 128.85 61.04 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.968 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.108 -177.321 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.452 ' HB2' HD13 ' A' ' 13' ' ' LEU . 25.0 t-80 -68.38 130.47 92.21 Favored Pre-proline 0 C--N 1.323 -0.583 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 170.284 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.513 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 72.4 Cg_exo -49.56 148.64 11.17 Favored 'Trans proline' 0 N--CA 1.467 -0.082 0 C-N-CA 122.285 1.99 . . . . 0.0 111.82 177.227 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.474 ' HB2' ' O ' ' A' ' 56' ' ' PRO . 47.5 mt-30 78.46 20.3 0.88 Allowed 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.168 0.587 . . . . 0.0 110.369 -175.751 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -94.58 122.53 60.67 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.364 174.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_exo -50.48 -38.72 54.49 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 123.342 2.695 . . . . 0.0 113.096 -175.312 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.93 ' HB2' ' HA ' ' A' ' 17' ' ' PRO . 12.3 t -62.93 -23.88 67.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.634 -176.008 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.547 ' HB2' HG21 ' A' ' 54' ' ' ILE . 0.6 OUTLIER -80.04 -46.73 16.06 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 -179.056 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.0 t -59.24 -49.78 76.53 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.462 177.115 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -59.66 -36.37 76.29 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.701 177.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.575 ' CZ3' ' HB3' ' A' ' 23' ' ' LEU . 15.7 t-105 -66.78 -40.36 88.14 Favored 'General case' 0 C--O 1.223 -0.332 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.336 -178.462 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.771 ' HA ' HE21 ' A' ' 68' ' ' GLN . 2.2 m-85 -58.92 -35.23 72.72 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 120.608 -0.437 . . . . 0.0 111.077 179.638 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -79.53 -41.61 26.93 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.088 0.471 . . . . 0.0 110.576 176.16 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.548 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 8.5 m170 -61.56 -46.98 87.6 Favored 'General case' 0 C--O 1.223 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.26 179.718 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.771 HE21 ' HA ' ' A' ' 65' ' ' PHE . 29.1 pt20 -67.02 -26.24 66.68 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-O 120.585 0.231 . . . . 0.0 110.591 -178.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -60.1 -33.49 72.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.45 0.643 . . . . 0.0 109.682 176.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 70' ' ' ARG . 19.5 ptt-85 -114.55 32.25 6.09 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.925 177.249 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.548 ' HB2' ' O ' ' A' ' 67' ' ' HIS . 9.1 ttmm -146.12 -166.65 2.52 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 -178.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.1 mp 56.22 -85.02 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 112.651 0.612 . . . . 0.0 112.651 -175.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 31.6 t60 -173.01 -29.27 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.56 -171.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 112.68 -8.7 25.95 Favored Glycine 0 N--CA 1.45 -0.397 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 -175.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.4 p -79.45 106.51 11.53 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.141 0.496 . . . . 0.0 110.794 178.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 79.4 mt -133.09 155.98 80.47 Favored Pre-proline 0 C--N 1.319 -0.724 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.013 -175.286 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_endo -87.2 -160.42 0.11 Allowed 'Trans proline' 0 N--CA 1.456 -0.712 0 C-N-CA 122.826 2.35 . . . . 0.0 112.071 -178.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -78.08 82.45 4.41 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.199 0.523 . . . . 0.0 109.627 176.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 89.7 mt -85.87 115.89 23.78 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.002 -178.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.484 ' O ' ' HG3' ' A' ' 83' ' ' MET . 16.0 p-10 -83.25 55.55 3.19 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 114.943 -1.026 . . . . 0.0 109.89 176.315 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.5 ' HB3' ' CE2' ' A' ' 65' ' ' PHE . 12.8 p90 -76.07 4.14 9.06 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.98 -0.555 . . . . 0.0 112.023 -176.45 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -71.69 -11.41 73.06 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.887 -0.673 . . . . 0.0 111.512 177.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.484 ' HG3' ' O ' ' A' ' 80' ' ' ASN . 0.0 OUTLIER -107.24 2.39 24.63 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.756 0.312 . . . . 0.0 110.898 176.638 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.0 tp -124.2 -51.57 1.76 Allowed 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 -175.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.475 ' HG3' ' HB2' ' A' ' 81' ' ' PHE . 95.1 mtt180 -67.85 119.24 12.21 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-O 120.846 0.355 . . . . 0.0 111.167 -172.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt 68.57 11.76 8.46 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.078 -0.964 . . . . 0.0 110.097 -178.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 46.5 tpp -100.3 -30.34 11.93 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.773 -1.103 . . . . 0.0 108.628 174.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.946 0 CA-C-N 114.551 -1.204 . . . . 0.0 110.522 177.096 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 50.3 p90 . . . . . 0 N--CA 1.477 0.898 0 CA-C-O 121.328 0.585 . . . . 0.0 110.385 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.62 ' O ' ' HD3' ' A' ' 4' ' ' PRO . 50.3 tp -152.92 138.53 17.8 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.271 -0.877 . . . . 0.0 108.644 175.283 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -83.25 107.61 10.31 Favored Pre-proline 0 N--CA 1.444 -0.769 0 CA-C-O 121.03 0.443 . . . . 0.0 110.543 175.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.62 ' HD3' ' O ' ' A' ' 2' ' ' LEU . 22.4 Cg_exo -66.9 143.11 65.18 Favored 'Trans proline' 0 C--O 1.235 0.325 0 C-N-CA 123.064 2.509 . . . . 0.0 112.236 178.756 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.547 ' HG3' ' HE1' ' A' ' 46' ' ' HIS . 58.0 Cg_exo -51.74 125.92 18.32 Favored 'Trans proline' 0 C--O 1.237 0.44 0 C-N-CA 123.094 2.529 . . . . 0.0 112.657 178.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.3 t 69.9 4.9 4.99 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.532 176.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.414 ' OG1' ' HB2' ' A' ' 4' ' ' PRO . 3.9 m -103.12 68.0 0.96 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.566 0.698 . . . . 0.0 109.304 177.549 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -81.19 87.23 6.1 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.416 -0.811 . . . . 0.0 112.312 -171.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.543 ' HA ' ' OE1' ' A' ' 32' ' ' GLN . 42.6 t -140.63 80.82 1.77 Allowed 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 169.372 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.451 ' SG ' ' NE2' ' A' ' 12' ' ' GLN . 8.1 t -110.83 130.84 55.46 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.108 -172.723 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 33.7 p -91.8 -59.33 2.15 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.703 -175.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.451 ' NE2' ' SG ' ' A' ' 10' ' ' CYS . 0.2 OUTLIER -80.24 161.6 25.07 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.045 0.45 . . . . 0.0 111.398 178.66 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 96.7 mt -132.45 138.91 47.79 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.266 -178.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.518 ' CE2' ' HB2' ' A' ' 16' ' ' LYS . 30.9 t80 -75.93 -49.89 16.51 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.2 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 50.3 mtt180 72.1 -24.93 0.18 Allowed 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 172.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.518 ' HB2' ' CE2' ' A' ' 14' ' ' TYR . 34.2 mmtp -71.32 149.9 94.11 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-O 120.897 0.379 . . . . 0.0 111.461 -178.383 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.521 ' HA ' ' OG ' ' A' ' 60' ' ' SER . 20.7 Cg_exo -66.98 122.66 10.02 Favored 'Trans proline' 0 C--O 1.234 0.292 0 C-N-CA 123.162 2.575 . . . . 0.0 112.274 178.527 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.917 ' HB3' HD11 ' A' ' 22' ' ' LEU . 85.6 mt -86.5 136.77 32.96 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.047 178.009 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.688 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 23.3 m -72.13 146.6 47.36 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.05 -178.729 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.525 ' HA ' HD12 ' A' ' 23' ' ' LEU . 34.9 t70 -59.35 -29.06 67.4 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 121.297 0.57 . . . . 0.0 111.113 -177.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.573 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 60.4 mttm -57.31 -45.87 83.75 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.584 179.27 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.917 HD11 ' HB3' ' A' ' 18' ' ' LEU . 4.1 pp -76.82 -27.48 55.19 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 121.036 -0.266 . . . . 0.0 111.235 174.255 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.676 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 74.6 mt -62.77 -38.63 91.39 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.781 -0.19 . . . . 0.0 111.49 -176.571 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.573 ' HG2' ' O ' ' A' ' 21' ' ' LYS . 24.4 ptt180 -59.86 -5.85 1.09 Allowed 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 120.87 0.367 . . . . 0.0 111.8 178.352 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.562 ' HD3' ' HA ' ' A' ' 22' ' ' LEU . 22.4 mtpp -106.65 -8.29 16.98 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.75 -178.333 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.864 HG22 ' HG ' ' A' ' 47' ' ' LEU . 21.4 t -80.82 86.15 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.952 179.405 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 22.4 pt -70.24 -22.83 24.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.63 -0.714 . . . . 0.0 112.868 -172.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -142.02 157.43 44.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.025 0.441 . . . . 0.0 111.348 -176.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 57.4 t -120.5 122.75 68.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.586 176.3 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.423 ' HG3' ' HB2' ' A' ' 46' ' ' HIS . 5.9 mt-10 -109.28 149.86 28.82 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 -175.567 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 55.1 tp -130.06 120.34 24.53 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-O 120.928 0.394 . . . . 0.0 110.711 179.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.543 ' OE1' ' HA ' ' A' ' 9' ' ' CYS . 8.8 tt0 -84.51 105.45 15.33 Favored 'General case' 0 N--CA 1.445 -0.71 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 170.59 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -61.41 151.76 31.56 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.836 178.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.525 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . . . -74.16 18.7 0.14 Allowed 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 113.11 0.782 . . . . 0.0 113.11 -169.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -177.93 -34.74 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.476 0.179 . . . . 0.0 110.773 -175.154 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -46.62 -67.79 1.3 Allowed Glycine 0 C--N 1.336 0.548 0 O-C-N 123.98 0.8 . . . . 0.0 114.34 -175.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -88.2 -51.71 5.62 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 69.6 m -142.55 155.62 45.03 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.599 -1.182 . . . . 0.0 108.707 175.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 6.6 p-80 -79.77 77.55 6.4 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.233 0.54 . . . . 0.0 111.526 -178.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.9 tt -168.89 125.52 0.96 Allowed 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 176.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.525 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 8.3 tt0 -91.58 117.14 29.46 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.684 0.278 . . . . 0.0 110.348 -178.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.568 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -146.33 132.72 19.62 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.902 0.382 . . . . 0.0 111.536 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.775 ' HB3' ' HG ' ' A' ' 61' ' ' LEU . 2.2 m-85 -91.58 113.6 25.91 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 172.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 62.0 t -108.77 130.18 62.04 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.94 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.656 -171.465 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.631 HD12 HD12 ' A' ' 18' ' ' LEU . 24.1 mt -92.31 118.34 30.81 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.169 0.509 . . . . 0.0 110.867 -178.612 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.547 ' HE1' ' HG3' ' A' ' 5' ' ' PRO . 61.5 t60 -96.67 97.82 9.67 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.512 -176.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.864 ' HG ' HG22 ' A' ' 26' ' ' VAL . 5.7 mp -80.47 162.14 24.54 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 174.318 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.56 -9.18 12.04 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -179.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.405 ' HB2' ' HD2' ' A' ' 50' ' ' ARG . 0.2 OUTLIER -107.72 -48.83 3.34 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.705 -0.479 . . . . 0.0 109.705 179.076 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.405 ' HD2' ' HB2' ' A' ' 49' ' ' GLN . 0.0 OUTLIER -153.25 169.53 22.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.022 -173.332 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 56.2 m -108.04 141.73 39.27 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.586 175.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 63.9 mt -118.57 140.55 41.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 176.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 63.0 m -100.52 125.14 46.83 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.535 0.683 . . . . 0.0 110.895 -172.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.635 HD13 ' HB2' ' A' ' 60' ' ' SER . 33.3 mt -127.24 147.26 32.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 114.964 -1.016 . . . . 0.0 110.919 -173.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.461 ' O ' ' HB2' ' A' ' 58' ' ' ASN . 31.9 t-80 -60.36 137.06 91.96 Favored Pre-proline 0 C--N 1.327 -0.374 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 174.312 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.568 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 4.1 Cg_endo -48.04 -62.06 0.5 Allowed 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.593 2.195 . . . . 0.0 112.184 179.221 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 25.6 mp0 -84.02 79.95 9.33 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 172.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.461 ' HB2' ' O ' ' A' ' 55' ' ' HIS . 3.1 t30 -134.63 137.28 27.23 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.656 177.661 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -46.61 -44.14 21.81 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 123.236 2.624 . . . . 0.0 112.944 -178.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.635 ' HB2' HD13 ' A' ' 54' ' ' ILE . 1.0 OUTLIER -56.13 -46.16 79.28 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.81 -178.834 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.775 ' HG ' ' HB3' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -77.61 -41.28 39.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.741 -172.703 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 9.4 t -72.47 -43.02 64.3 Favored 'General case' 0 C--O 1.239 0.536 0 CA-C-O 120.97 0.415 . . . . 0.0 111.13 -175.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -63.97 -28.29 69.72 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 175.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.676 ' CZ3' ' HB3' ' A' ' 23' ' ' LEU . 10.3 t-105 -61.31 -39.22 89.69 Favored 'General case' 0 C--O 1.218 -0.568 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.345 176.355 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.828 ' HB3' ' HG2' ' A' ' 85' ' ' ARG . 25.4 m-85 -56.09 -40.08 73.1 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 121.117 -0.233 . . . . 0.0 110.682 176.296 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.483 ' HB3' HH21 ' A' ' 70' ' ' ARG . 44.9 mt-10 -65.55 -50.79 63.88 Favored 'General case' 0 C--O 1.24 0.557 0 CA-C-O 121.894 0.854 . . . . 0.0 110.223 174.362 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.631 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 11.5 m-70 -65.93 -50.23 65.16 Favored 'General case' 0 C--O 1.219 -0.503 0 CA-C-N 114.817 -1.083 . . . . 0.0 111.509 -173.284 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.505 ' HB3' ' CE2' ' A' ' 64' ' ' TRP . 3.9 pt20 -61.62 -32.59 72.73 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 120.899 0.381 . . . . 0.0 110.789 -177.471 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -55.5 -37.24 67.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.6 177.157 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.483 HH21 ' HB3' ' A' ' 66' ' ' GLU . 1.1 ptt180 -114.53 30.83 7.04 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.329 -0.851 . . . . 0.0 111.261 178.399 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.631 ' HB2' ' O ' ' A' ' 67' ' ' HIS . 5.8 tppt? -136.99 -157.55 0.79 Allowed 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 -176.68 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.563 HD23 HD13 ' A' ' 76' ' ' LEU . 1.8 mm? 49.53 29.56 3.02 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 114.116 1.154 . . . . 0.0 114.116 -176.652 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 79.1 t60 64.74 15.11 9.59 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 121.245 0.545 . . . . 0.0 110.693 174.517 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 90.48 -3.45 81.76 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.748 179.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 16.9 p -102.65 115.85 31.41 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 177.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.693 HD12 ' HD2' ' A' ' 77' ' ' PRO . 20.6 tp -154.08 141.02 13.25 Favored Pre-proline 0 N--CA 1.443 -0.782 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 -171.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.693 ' HD2' HD12 ' A' ' 76' ' ' LEU . 85.3 Cg_endo -70.97 152.94 63.51 Favored 'Trans proline' 0 C--N 1.332 -0.322 0 C-N-CA 123.195 2.597 . . . . 0.0 112.191 179.06 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp -84.28 89.55 7.37 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.338 0.589 . . . . 0.0 110.542 177.517 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.528 ' HB3' ' HD2' ' A' ' 81' ' ' PHE . 95.3 mt -93.54 124.71 37.72 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.028 177.63 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -74.14 11.03 1.01 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 122.026 0.917 . . . . 0.0 110.639 175.599 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.528 ' HD2' ' HB3' ' A' ' 79' ' ' LEU . 74.6 m-85 -89.99 8.6 31.64 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 114.47 -1.241 . . . . 0.0 109.885 179.357 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -58.82 -11.67 11.79 Favored Glycine 0 C--N 1.336 0.532 0 CA-C-N 115.925 -0.58 . . . . 0.0 112.774 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.552 ' O ' ' HB2' ' A' ' 87' ' ' MET . 0.0 OUTLIER -69.11 -6.23 27.14 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.699 0.285 . . . . 0.0 111.345 175.738 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.498 ' HB3' ' CE2' ' A' ' 65' ' ' PHE . 2.2 tp -99.15 7.55 45.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.518 0.199 . . . . 0.0 110.98 -179.286 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.828 ' HG2' ' HB3' ' A' ' 65' ' ' PHE . 85.4 mtm180 -72.17 74.08 0.95 Allowed 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.634 0.254 . . . . 0.0 110.46 177.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt 64.34 6.22 2.94 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.214 -176.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.552 ' HB2' ' O ' ' A' ' 83' ' ' MET . 39.2 mtt -103.12 -4.61 24.25 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.242 0.544 . . . . 0.0 109.711 -178.474 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.838 0 CA-C-O 118.71 -1.05 . . . . 0.0 111.67 -177.101 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 16.7 p90 . . . . . 0 N--CA 1.48 1.038 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.481 ' O ' ' HD3' ' A' ' 4' ' ' PRO . 39.8 tp -154.45 138.72 16.63 Favored 'General case' 0 C--N 1.313 -0.991 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 178.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.435 HD13 ' HA ' ' A' ' 3' ' ' LEU . 4.1 mm? -75.59 111.58 15.07 Favored Pre-proline 0 C--N 1.32 -0.692 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 174.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 1.045 ' HB2' ' HB ' ' A' ' 7' ' ' THR . 54.0 Cg_exo -52.76 136.2 58.38 Favored 'Trans proline' 0 N--CA 1.463 -0.299 0 C-N-CA 122.79 2.326 . . . . 0.0 112.202 -178.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.5 ' HG3' ' HE1' ' A' ' 46' ' ' HIS . 51.7 Cg_exo -53.84 119.72 6.72 Favored 'Trans proline' 0 C--O 1.234 0.292 0 C-N-CA 123.11 2.54 . . . . 0.0 112.147 -178.128 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.9 m 66.08 12.16 8.29 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.123 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 1.045 ' HB ' ' HB2' ' A' ' 4' ' ' PRO . 5.9 m -128.58 26.2 5.65 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 122.569 1.176 . . . . 0.0 108.514 177.636 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.433 ' HA ' HD12 ' A' ' 3' ' ' LEU . . . -85.7 85.99 7.38 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 114.195 -1.366 . . . . 0.0 111.177 -174.095 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 44.4 m -87.03 83.66 7.45 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 169.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 59.9 m -72.52 116.16 12.66 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.21 -174.186 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.2 p -93.62 -2.38 54.15 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-O 121.633 0.73 . . . . 0.0 109.932 173.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -134.65 157.21 47.23 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.972 -1.013 . . . . 0.0 110.103 177.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.463 HD13 ' HB2' ' A' ' 55' ' ' HIS . 96.0 mt -134.67 127.45 31.12 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 -178.172 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.415 ' CD2' ' HB3' ' A' ' 16' ' ' LYS . 10.2 t80 -69.38 -48.8 60.09 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 -178.248 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.54 ' HA ' ' OD1' ' A' ' 58' ' ' ASN . 68.0 mtm180 59.87 17.39 6.47 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.573 174.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.415 ' HB3' ' CD2' ' A' ' 14' ' ' TYR . 48.8 tttm -122.77 136.24 26.56 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.931 -174.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -53.13 127.46 25.16 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.906 2.404 . . . . 0.0 112.319 179.015 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.87 ' HB3' HD11 ' A' ' 22' ' ' LEU . 78.2 mt -85.07 139.85 31.43 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.486 -178.102 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.69 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 15.2 m -63.18 139.92 58.82 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.661 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.534 ' HA ' HD12 ' A' ' 23' ' ' LEU . 12.0 t70 -66.16 -26.72 67.56 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.797 0.332 . . . . 0.0 111.445 -175.099 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.609 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 98.3 mttt -57.84 -47.88 81.39 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.823 176.196 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.87 HD11 ' HB3' ' A' ' 18' ' ' LEU . 4.5 pp -72.96 -27.65 61.94 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.568 -0.453 . . . . 0.0 109.97 176.562 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.534 HD12 ' HA ' ' A' ' 20' ' ' ASP . 21.7 mt -60.04 -40.72 90.38 Favored 'General case' 0 C--O 1.225 -0.234 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.869 179.34 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.628 ' HB3' ' HD2' ' A' ' 71' ' ' LYS . 16.3 ptp180 -71.01 4.64 2.51 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 122.079 -0.388 . . . . 0.0 111.495 -179.29 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.406 ' HB3' HE22 ' A' ' 49' ' ' GLN . 51.5 mtmt -119.46 8.06 11.28 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.949 175.73 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.851 HG22 ' HG ' ' A' ' 47' ' ' LEU . 25.2 t -85.17 101.63 9.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 109.157 -0.682 . . . . 0.0 109.157 177.016 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 39.0 pt -81.59 -25.97 9.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -170.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 25.1 mm-40 -147.55 157.38 43.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.008 0.432 . . . . 0.0 111.121 -177.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.46 HG13 HD23 ' A' ' 45' ' ' LEU . 35.6 t -118.84 126.06 74.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 174.702 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.644 ' HG3' ' HB ' ' A' ' 44' ' ' VAL . 13.8 pt-20 -120.3 147.8 44.53 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.191 0.519 . . . . 0.0 110.524 -177.746 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 52.0 tp -114.86 128.79 56.5 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.442 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.517 ' O ' ' HA ' ' A' ' 41' ' ' GLN . 6.2 tt0 -87.01 103.58 15.49 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 107.547 -1.279 . . . . 0.0 107.547 170.373 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.515 ' HB2' ' H ' ' A' ' 37' ' ' ASP . 42.5 mt-10 -61.17 152.33 28.96 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 179.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.647 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . . . -69.27 1.82 3.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.235 -173.314 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -168.33 -36.0 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.684 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -56.24 -54.69 33.9 Favored Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 115.389 -0.823 . . . . 0.0 113.278 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.515 ' H ' ' HB2' ' A' ' 33' ' ' GLU . 19.7 m-20 -86.16 -45.93 10.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.989 0.424 . . . . 0.0 110.595 179.392 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.49 ' HB3' ' OE1' ' A' ' 32' ' ' GLN . 2.6 t -156.99 -176.03 5.75 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 -179.419 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 61.7 t60 -81.88 10.08 7.01 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.028 0.442 . . . . 0.0 111.34 -175.651 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.7 tt -136.39 136.61 39.75 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 -175.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.647 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 30.1 tt0 -93.29 120.44 33.58 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.351 176.361 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.556 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -148.11 140.38 24.26 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.081 -179.399 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -91.23 113.64 25.96 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 172.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.644 ' HB ' ' HG3' ' A' ' 30' ' ' GLU . 66.1 t -108.37 125.16 65.15 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.862 0 CA-C-O 121.141 0.496 . . . . 0.0 110.608 -173.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.729 HD12 HD12 ' A' ' 18' ' ' LEU . 61.9 mt -92.56 121.96 34.51 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.868 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.5 ' HE1' ' HG3' ' A' ' 5' ' ' PRO . 10.7 t60 -103.06 101.86 11.86 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.342 -171.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.851 ' HG ' HG22 ' A' ' 26' ' ' VAL . 5.6 mp -83.09 165.21 19.75 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 174.777 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.78 -10.2 59.43 Favored 'General case' 0 C--N 1.318 -0.773 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.953 -179.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.406 HE22 ' HB3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -126.48 -6.19 6.43 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.646 179.138 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.53 ' HD2' HD22 ' A' ' 47' ' ' LEU . 50.1 mtt180 -145.41 161.42 39.72 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 -168.181 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 12.8 m -137.17 123.24 20.33 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 168.181 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 67.5 mt -120.28 136.71 56.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 120.564 0.221 . . . . 0.0 110.447 -175.034 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 64.5 m -100.29 120.39 39.85 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.594 0.711 . . . . 0.0 110.427 -174.255 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.464 HG23 ' HB2' ' A' ' 58' ' ' ASN . 1.0 OUTLIER -120.34 141.92 38.47 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.742 -176.839 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.504 ' O ' ' HB2' ' A' ' 58' ' ' ASN . 40.2 t-80 -76.95 130.1 76.74 Favored Pre-proline 0 C--N 1.325 -0.473 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 176.502 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.556 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 45.7 Cg_exo -36.93 -48.13 1.48 Allowed 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 123.778 2.985 . . . . 0.0 114.328 -176.184 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 26.1 mm-40 -80.62 53.4 1.86 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.475 0.655 . . . . 0.0 111.169 178.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.54 ' OD1' ' HA ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -112.36 112.28 51.98 Favored Pre-proline 0 C--N 1.319 -0.76 0 CA-C-N 115.304 -0.862 . . . . 0.0 108.952 174.744 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -54.29 -24.77 35.79 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.43 2.087 . . . . 0.0 110.807 175.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.9 m -53.42 -41.62 66.21 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.043 -0.98 . . . . 0.0 111.503 173.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.453 HD23 HG21 ' A' ' 54' ' ' ILE . 0.2 OUTLIER -73.38 -40.75 64.1 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-O 121.044 0.45 . . . . 0.0 109.934 -177.246 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.9 t -69.16 -42.3 76.11 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.743 0.782 . . . . 0.0 109.666 -179.338 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -63.05 -29.04 70.5 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.732 -1.122 . . . . 0.0 110.113 177.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.507 ' CE2' ' HB3' ' A' ' 68' ' ' GLN . 16.6 t-105 -69.88 -38.01 76.24 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.36 176.631 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.433 ' CE2' HD13 ' A' ' 84' ' ' LEU . 23.8 m-85 -54.78 -38.37 67.18 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.97 0.414 . . . . 0.0 110.438 175.673 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -69.43 -51.71 33.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.567 0.699 . . . . 0.0 110.518 175.073 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.731 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 10.4 m170 -69.48 -30.49 68.37 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.596 -0.729 . . . . 0.0 112.316 -172.749 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.507 ' HB3' ' CE2' ' A' ' 64' ' ' TRP . 13.2 pt20 -73.84 -30.24 62.57 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 117.99 0.359 . . . . 0.0 110.13 177.619 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -60.08 -31.4 69.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.584 176.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 10.6 ptp180 -112.22 32.66 5.38 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.654 178.181 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.731 ' HB2' ' O ' ' A' ' 67' ' ' HIS . 0.2 OUTLIER -130.61 -149.98 0.41 Allowed 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.904 -176.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.792 HD13 ' H ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -28.1 95.97 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.64 0 O-C-N 124.728 1.268 . . . . 0.0 114.356 -176.084 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 15.5 m-70 71.95 -46.45 0.64 Allowed 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 114.848 -1.069 . . . . 0.0 112.926 173.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 107.0 -11.57 40.91 Favored Glycine 0 N--CA 1.449 -0.439 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 -175.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.1 p -85.04 145.87 27.46 Favored 'General case' 0 N--CA 1.441 -0.878 0 CA-C-O 120.854 0.359 . . . . 0.0 110.509 178.245 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 76' ' ' LEU . 54.4 mt -138.56 156.26 73.26 Favored Pre-proline 0 C--N 1.314 -0.941 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.754 -175.412 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -88.45 -174.58 1.11 Allowed 'Trans proline' 0 N--CA 1.454 -0.799 0 C-N-CA 122.878 2.385 . . . . 0.0 112.783 -175.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 29.9 mtmm -82.75 64.38 7.35 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.322 -176.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.472 HD21 ' HB3' ' A' ' 81' ' ' PHE . 2.1 pt? -110.28 15.14 22.5 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.082 0.468 . . . . 0.0 110.711 -179.43 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.669 ' O ' ' HG2' ' A' ' 83' ' ' MET . 56.8 m-80 49.52 49.73 19.4 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.781 -1.1 . . . . 0.0 110.853 -178.357 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.472 ' HB3' HD21 ' A' ' 79' ' ' LEU . 45.4 p90 -64.79 -15.07 61.19 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -172.49 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.493 ' HA2' ' NE ' ' A' ' 85' ' ' ARG . . . -57.82 -38.71 89.6 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 121.1 -0.572 . . . . 0.0 112.678 177.574 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.669 ' HG2' ' O ' ' A' ' 80' ' ' ASN . 27.0 ptt? -69.61 -15.63 63.24 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 121.052 0.453 . . . . 0.0 111.209 -178.719 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.433 HD13 ' CE2' ' A' ' 65' ' ' PHE . 1.9 mt -126.47 25.54 6.51 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.927 -173.016 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.493 ' NE ' ' HA2' ' A' ' 82' ' ' GLY . 95.2 mtt180 -74.67 74.0 2.03 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 175.454 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.43 ' HD2' ' HA ' ' A' ' 86' ' ' LYS . 17.6 tptm 62.65 18.54 10.65 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.441 -177.175 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 25.3 mmt -80.29 -19.24 47.12 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.423 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.261 0 CA-C-O 118.941 -0.922 . . . . 0.0 111.67 -178.172 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 67.7 t80 . . . . . 0 N--CA 1.48 1.074 0 CA-C-O 121.2 0.524 . . . . 0.0 110.135 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -141.74 144.79 34.19 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.24 179.306 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.538 ' HG ' ' SG ' ' A' ' 10' ' ' CYS . 3.9 mm? -63.78 119.01 50.76 Favored Pre-proline 0 C--N 1.32 -0.712 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.522 176.765 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.487 ' HB2' ' HB ' ' A' ' 7' ' ' THR . 51.0 Cg_exo -52.16 143.28 42.51 Favored 'Trans proline' 0 C--O 1.234 0.323 0 C-N-CA 123.212 2.608 . . . . 0.0 112.154 178.481 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 4' ' ' PRO . 74.4 Cg_exo -51.36 114.26 1.48 Allowed 'Trans proline' 0 C--O 1.234 0.31 0 C-N-CA 123.037 2.491 . . . . 0.0 112.755 -177.444 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.8 m 66.07 19.5 11.17 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.937 177.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.487 ' HB ' ' HB2' ' A' ' 4' ' ' PRO . 5.9 m -110.64 35.62 3.41 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 170.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -81.21 121.79 26.59 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 114.055 -1.43 . . . . 0.0 111.29 -173.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.416 ' HA ' ' HB2' ' A' ' 38' ' ' CYS . 36.8 t -148.9 44.97 1.0 Allowed 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 107.701 -1.222 . . . . 0.0 107.701 175.046 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.538 ' SG ' ' HG ' ' A' ' 3' ' ' LEU . 18.7 m -61.98 118.93 7.92 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 114.408 -1.269 . . . . 0.0 111.974 -176.224 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 18.7 p -80.28 -44.22 19.97 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.442 170.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -79.44 153.89 29.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.314 172.209 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 91.7 mt -142.74 143.02 32.06 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.225 -178.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.662 ' CE2' ' HB2' ' A' ' 16' ' ' LYS . 54.6 t80 -73.11 -56.44 5.11 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.731 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 28.5 ttp180 72.35 -16.98 0.4 Allowed 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 115.556 -0.747 . . . . 0.0 112.879 172.155 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.662 ' HB2' ' CE2' ' A' ' 14' ' ' TYR . 65.5 mttm -84.27 145.57 45.96 Favored Pre-proline 0 C--N 1.322 -0.623 0 O-C-N 121.84 -0.537 . . . . 0.0 110.079 175.749 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.681 ' HA ' ' HB2' ' A' ' 60' ' ' SER . 32.5 Cg_exo -59.39 135.71 66.99 Favored 'Trans proline' 0 C--O 1.237 0.449 0 C-N-CA 122.558 2.172 . . . . 0.0 112.043 177.529 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.699 HD12 HD12 ' A' ' 45' ' ' LEU . 80.6 mt -88.94 152.34 21.77 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.735 -179.133 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 25.0 m -75.74 146.29 40.18 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.88 -179.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.413 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 30.2 t70 -58.52 -31.08 67.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.099 -178.381 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 51.8 mttp -55.21 -46.41 75.92 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.487 177.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.402 ' HG ' ' H ' ' A' ' 22' ' ' LEU . 0.3 OUTLIER -73.24 -35.7 66.29 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.893 179.406 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.551 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 76.5 mt -63.99 -44.73 91.81 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.1 -175.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.453 ' HB3' ' HD2' ' A' ' 71' ' ' LYS . 17.4 ptm180 -69.81 4.17 2.14 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 121.371 0.605 . . . . 0.0 111.275 177.422 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.6 mtpt -112.06 -2.68 14.96 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.264 179.148 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.74 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 55.8 t -74.13 152.3 7.06 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.672 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.209 175.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 12.0 pt -117.37 -38.67 2.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.134 177.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 58.5 mm-40 -148.37 157.17 43.32 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 120.972 0.415 . . . . 0.0 110.978 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.431 HG13 HD23 ' A' ' 45' ' ' LEU . 43.3 t -108.66 121.28 61.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 172.674 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.739 ' HG3' ' HB ' ' A' ' 44' ' ' VAL . 10.7 pt-20 -106.26 113.02 26.3 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-O 121.553 0.692 . . . . 0.0 110.367 -177.608 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 47.4 tp -82.21 105.55 13.39 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.657 -179.175 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -74.61 104.28 5.23 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.132 172.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -77.49 158.52 29.9 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.924 0.392 . . . . 0.0 111.494 -178.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.623 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . . . -80.23 3.0 22.22 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.481 -177.598 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -146.56 -45.1 0.19 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.066 177.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -59.25 -63.8 4.84 Favored Glycine 0 CA--C 1.519 0.33 0 C-N-CA 121.19 -0.529 . . . . 0.0 113.507 -178.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -85.78 -49.78 7.66 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.271 0.557 . . . . 0.0 110.935 -176.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.416 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 42.7 t -135.42 -171.6 2.87 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 -175.331 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 12.3 p-80 -104.59 16.93 25.09 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.559 0.695 . . . . 0.0 109.992 174.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.5 tt -142.75 130.78 21.81 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.116 -0.947 . . . . 0.0 108.495 178.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.623 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 60.5 tt0 -83.29 129.81 35.03 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.686 0.279 . . . . 0.0 110.82 -177.336 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.564 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -148.0 146.68 29.02 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.791 179.452 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.779 ' HB3' ' HG ' ' A' ' 61' ' ' LEU . 22.7 m-85 -99.33 101.14 12.33 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 174.626 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.739 ' HB ' ' HG3' ' A' ' 30' ' ' GLU . 23.2 t -98.96 131.52 46.03 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.567 -173.664 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.699 HD12 HD12 ' A' ' 18' ' ' LEU . 66.7 mt -100.49 123.73 45.08 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.39 -178.616 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -104.43 108.54 20.01 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.594 -175.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.74 ' HA ' ' HA ' ' A' ' 26' ' ' VAL . 6.2 mp -89.31 166.61 13.65 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 176.272 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.12 -7.45 46.67 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.033 0.383 . . . . 0.0 112.033 -174.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.423 ' NE2' ' HB3' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -138.57 8.69 2.62 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 113.021 0.749 . . . . 0.0 113.021 177.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.432 ' HG2' ' HB2' ' A' ' 47' ' ' LEU . 10.8 ptm180 -168.35 168.28 11.44 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 120.511 -0.476 . . . . 0.0 111.873 -178.095 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.5 m -132.3 139.86 48.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.807 177.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 72.2 mt -132.45 132.78 60.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 179.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 92.4 m -101.36 121.05 41.22 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.612 0.72 . . . . 0.0 110.924 -175.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.401 ' HB ' ' O ' ' A' ' 43' ' ' PHE . 0.9 OUTLIER -109.14 140.63 27.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.395 -0.82 . . . . 0.0 111.17 -177.633 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.466 ' O ' ' HB2' ' A' ' 58' ' ' ASN . 26.8 t-80 -71.39 126.3 91.79 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.816 173.666 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.564 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 50.0 Cg_exo -56.42 161.75 9.0 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.765 2.31 . . . . 0.0 111.351 177.567 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.526 ' HA ' ' O ' ' A' ' 88' ' ' GLY . 2.4 mp0 66.02 58.98 0.72 Allowed 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 -170.416 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.466 ' HB2' ' O ' ' A' ' 55' ' ' HIS . 13.1 t-20 -141.39 128.62 11.74 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-N 114.527 -1.215 . . . . 0.0 110.567 -174.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 58' ' ' ASN . 39.6 Cg_exo -56.92 -34.58 97.48 Favored 'Trans proline' 0 N--CA 1.463 -0.297 0 C-N-CA 122.885 2.39 . . . . 0.0 112.86 -178.737 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.681 ' HB2' ' HA ' ' A' ' 17' ' ' PRO . 20.7 t -65.33 -37.82 88.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.879 -0.146 . . . . 0.0 111.137 -175.332 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.779 ' HG ' ' HB3' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -79.53 -44.8 20.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.625 0.25 . . . . 0.0 110.478 -177.573 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.403 ' HB2' ' OXT' ' A' ' 88' ' ' GLY . 14.1 t -60.21 -50.63 72.88 Favored 'General case' 0 C--O 1.243 0.713 0 CA-C-O 121.401 0.619 . . . . 0.0 110.349 179.596 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -64.14 -28.95 70.11 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.038 177.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.551 ' CZ3' ' HB3' ' A' ' 23' ' ' LEU . 26.4 t-105 -67.89 -37.06 81.29 Favored 'General case' 0 C--O 1.219 -0.538 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.693 179.357 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.896 ' HD2' ' HB3' ' A' ' 81' ' ' PHE . 2.7 m-85 -55.48 -46.57 76.85 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.924 0.392 . . . . 0.0 110.217 176.218 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -64.82 -48.62 73.72 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-O 121.72 0.772 . . . . 0.0 110.085 175.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.484 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 40.2 m170 -63.92 -43.81 94.81 Favored 'General case' 0 C--O 1.215 -0.743 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.959 -175.129 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.631 HE21 ' HA ' ' A' ' 65' ' ' PHE . 30.3 pt20 -62.73 -35.28 79.25 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 117.648 0.204 . . . . 0.0 110.972 -175.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -53.06 -42.93 66.28 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-O 121.309 0.576 . . . . 0.0 109.52 173.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 70' ' ' ARG . 1.5 ptp180 -114.89 26.22 10.33 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 -176.491 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.484 ' HB2' ' O ' ' A' ' 67' ' ' HIS . 14.9 tppt? -104.22 -99.03 0.31 Allowed 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 120.297 -0.561 . . . . 0.0 111.539 -176.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.731 HD13 ' H ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -59.26 -13.29 7.31 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.743 0.306 . . . . 0.0 110.513 170.926 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 4.2 t60 62.47 19.13 10.96 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-O 121.677 0.751 . . . . 0.0 109.138 -179.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.463 ' H ' HD23 ' A' ' 72' ' ' LEU . . . -71.56 -20.47 78.47 Favored Glycine 0 CA--C 1.511 -0.213 0 CA-C-N 114.56 -1.2 . . . . 0.0 112.199 -176.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.484 ' C ' HD22 ' A' ' 76' ' ' LEU . 66.1 p 63.88 145.92 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.801 1.24 . . . . 0.0 112.227 179.41 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.527 ' HB3' ' HD2' ' A' ' 77' ' ' PRO . 3.9 mm? -116.58 175.96 1.74 Allowed Pre-proline 0 N--CA 1.437 -1.083 0 CA-C-N 114.851 -1.068 . . . . 0.0 109.44 -173.231 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.527 ' HD2' ' HB3' ' A' ' 76' ' ' LEU . 26.0 Cg_exo -41.1 127.85 2.85 Favored 'Trans proline' 0 N--CA 1.459 -0.537 0 C-N-CA 122.815 2.343 . . . . 0.0 112.473 167.434 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -76.88 80.24 3.45 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.265 0.555 . . . . 0.0 110.211 -178.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.9 pp -124.17 -8.43 7.65 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.479 176.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 9.1 m120 68.28 127.34 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.493 -1.231 . . . . 0.0 110.613 -179.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.896 ' HB3' ' HD2' ' A' ' 65' ' ' PHE . 2.6 m-85 -96.54 11.28 35.71 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.829 -168.077 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -66.85 -13.52 61.62 Favored Glycine 0 N--CA 1.452 -0.295 0 CA-C-N 115.86 -0.609 . . . . 0.0 113.369 -176.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.5 -14.88 58.58 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 117.015 0.407 . . . . 0.0 110.506 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 23.4 tp -115.89 -22.31 9.12 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.002 -178.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.455 ' HG3' ' O ' ' A' ' 81' ' ' PHE . 59.8 mtp180 -53.47 108.54 0.35 Allowed 'General case' 0 N--CA 1.463 0.177 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -177.009 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 19.6 mmtp 62.44 14.91 7.33 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.405 176.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 29.9 tpp -101.61 -36.68 8.68 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.793 -177.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.526 ' O ' ' HA ' ' A' ' 57' ' ' GLN . . . . . . . . 0 N--CA 1.44 -1.049 0 N-CA-C 110.435 -1.066 . . . . 0.0 110.435 178.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 75.4 t80 . . . . . 0 N--CA 1.474 0.74 0 CA-C-O 121.0 0.429 . . . . 0.0 110.5 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.8 pp -103.66 144.22 31.73 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 173.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.457 ' HG ' ' SG ' ' A' ' 53' ' ' CYS . 3.9 mm? -72.38 123.03 88.99 Favored Pre-proline 0 C--N 1.319 -0.736 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 177.639 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.409 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 76.7 Cg_exo -50.1 128.09 21.41 Favored 'Trans proline' 0 N--CA 1.459 -0.51 0 C-N-CA 122.374 2.049 . . . . 0.0 111.538 179.386 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 4' ' ' PRO . 53.0 Cg_exo -54.34 126.96 23.93 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 123.033 2.489 . . . . 0.0 112.74 -176.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.7 m 68.51 25.39 6.77 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.229 177.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 16.1 m -119.21 90.74 3.39 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 176.134 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.672 ' HB1' ' HG2' ' A' ' 32' ' ' GLN . . . -87.34 87.49 7.44 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.311 0.577 . . . . 0.0 112.084 -171.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.507 ' HA ' ' CB ' ' A' ' 38' ' ' CYS . 45.5 t -160.22 97.52 1.25 Allowed 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 170.362 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -115.75 119.43 36.03 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.78 -170.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 20.9 p -90.62 6.17 44.94 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.896 0.379 . . . . 0.0 111.743 -178.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -155.57 159.36 39.62 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.044 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.451 HD13 ' HA ' ' A' ' 55' ' ' HIS . 85.2 mt -124.8 142.25 51.55 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 178.742 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.453 ' CE2' ' HB3' ' A' ' 16' ' ' LYS . 25.9 t80 -66.46 -33.33 75.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.815 0.34 . . . . 0.0 110.278 -177.567 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 62.7 mtm180 59.19 27.21 16.15 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.899 173.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.453 ' HB3' ' CE2' ' A' ' 14' ' ' TYR . 61.0 tttp -146.47 136.45 11.94 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.823 -179.05 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -60.25 144.39 99.5 Favored 'Trans proline' 0 C--O 1.233 0.241 0 C-N-CA 122.529 2.153 . . . . 0.0 111.682 176.066 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.595 ' HB3' HD11 ' A' ' 22' ' ' LEU . 84.8 mt -94.38 159.99 14.87 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.907 -176.475 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.624 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 18.1 m -81.18 137.91 35.88 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.466 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.56 ' HA ' HD12 ' A' ' 23' ' ' LEU . 21.1 t70 -62.43 -29.23 70.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.93 0.395 . . . . 0.0 111.938 -173.523 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.523 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 91.8 mttt -63.51 -46.29 86.73 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.824 -179.221 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.624 ' HG ' ' O ' ' A' ' 19' ' ' SER . 4.4 pp -73.94 -26.73 60.65 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 176.378 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.56 HD12 ' HA ' ' A' ' 20' ' ' ASP . 18.2 mt -60.54 -46.77 88.94 Favored 'General case' 0 C--O 1.221 -0.443 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.599 179.076 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.523 ' HG2' ' O ' ' A' ' 21' ' ' LYS . 5.8 ptm180 -59.74 -7.81 1.77 Allowed 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 -177.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.4 mtmt -98.44 -7.02 29.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.828 0.347 . . . . 0.0 110.76 178.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.88 HG22 ' HG ' ' A' ' 47' ' ' LEU . 46.5 t -74.3 120.74 24.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 -178.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 26.8 pt -100.54 -21.55 5.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -169.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.518 ' HB2' ' HB3' ' A' ' 46' ' ' HIS . 82.5 mm-40 -144.47 155.96 43.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.007 0.432 . . . . 0.0 111.279 -178.097 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.5 t -127.1 118.11 49.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 175.29 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -125.7 144.3 50.67 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.225 0.536 . . . . 0.0 111.434 -174.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 57.4 tp -103.56 127.33 51.0 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.017 -177.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.672 ' HG2' ' HB1' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -97.42 119.08 35.3 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 173.244 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -78.98 162.23 26.1 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.946 0.403 . . . . 0.0 111.877 -170.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.527 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . . . -78.49 6.28 8.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.874 -174.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.443 ' HA ' ' HA ' ' A' ' 39' ' ' HIS . 27.5 t70 -174.08 139.04 0.62 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.192 -178.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 137.26 -111.84 0.87 Allowed Glycine 0 N--CA 1.445 -0.728 0 N-CA-C 111.468 -0.653 . . . . 0.0 111.468 -177.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -63.94 -45.79 87.63 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 175.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.549 ' HB3' ' NE2' ' A' ' 32' ' ' GLN . 0.5 OUTLIER -136.15 126.97 27.44 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.662 -1.154 . . . . 0.0 108.388 178.517 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.443 ' HA ' ' HA ' ' A' ' 35' ' ' ASP . 8.8 p-80 -90.13 73.56 7.22 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 112.864 0.69 . . . . 0.0 112.864 -172.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.429 HD22 ' O ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -175.01 139.14 0.47 Allowed 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.353 171.35 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.527 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 8.6 tt0 -79.81 127.55 32.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.732 0.301 . . . . 0.0 110.828 -173.376 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.431 ' HB3' ' HB3' ' A' ' 32' ' ' GLN . . . -148.27 138.97 22.94 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.145 -179.595 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.453 ' HB2' HG22 ' A' ' 54' ' ' ILE . 19.0 m-85 -101.92 111.43 23.69 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 173.425 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 14.5 t -105.09 125.55 60.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-O 121.344 0.592 . . . . 0.0 111.263 -171.114 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.49 HD12 HD12 ' A' ' 18' ' ' LEU . 73.3 mt -95.94 124.1 39.82 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.123 179.505 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.518 ' HB3' ' HB2' ' A' ' 28' ' ' GLN . 3.5 t-160 -99.92 99.2 9.94 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.782 -171.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.88 ' HG ' HG22 ' A' ' 26' ' ' VAL . 6.3 mp -83.17 170.21 14.98 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 175.135 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.39 -20.23 66.01 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -172.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.59 11.26 3.74 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.85 -175.488 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.9 ptp180 -171.54 166.32 6.8 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 120.641 0.258 . . . . 0.0 111.122 -177.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.424 ' HB2' ' HB2' ' A' ' 3' ' ' LEU . 3.7 m -132.08 138.66 48.23 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 175.593 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 66.2 mt -121.87 137.44 55.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.355 -0.384 . . . . 0.0 109.99 -178.306 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.457 ' SG ' ' HG ' ' A' ' 3' ' ' LEU . 72.4 m -101.4 121.51 42.05 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.5 0.666 . . . . 0.0 110.521 -177.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.453 HG22 ' HB2' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -109.51 147.23 14.1 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.866 0 CA-C-N 114.901 -1.045 . . . . 0.0 110.149 -176.742 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.66 ' O ' ' HB2' ' A' ' 58' ' ' ASN . 22.1 t-80 -65.41 131.46 94.93 Favored Pre-proline 0 C--N 1.326 -0.435 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 175.5 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -53.09 141.17 58.68 Favored 'Trans proline' 0 CA--C 1.526 0.117 0 C-N-CA 122.961 2.44 . . . . 0.0 112.817 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 70.43 12.63 7.48 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.85 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.66 ' HB2' ' O ' ' A' ' 55' ' ' HIS . 0.7 OUTLIER -71.28 139.59 84.64 Favored Pre-proline 0 C--N 1.329 -0.284 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 175.692 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -51.46 -40.3 63.03 Favored 'Trans proline' 0 C--O 1.224 -0.214 0 C-N-CA 123.227 2.618 . . . . 0.0 112.644 -178.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 12.3 t -62.66 -26.63 68.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.491 -177.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.413 HD22 HD21 ' A' ' 45' ' ' LEU . 0.4 OUTLIER -80.05 -46.76 15.99 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 34.1 t -64.09 -50.3 68.85 Favored 'General case' 0 C--O 1.242 0.691 0 CA-C-O 121.409 0.623 . . . . 0.0 110.76 179.043 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -60.73 -28.75 68.91 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.302 178.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.619 ' CE2' ' HB3' ' A' ' 68' ' ' GLN . 26.7 t-105 -67.27 -37.46 83.49 Favored 'General case' 0 N--CA 1.447 -0.62 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.885 179.128 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.722 ' HA ' HE21 ' A' ' 68' ' ' GLN . 29.9 m-85 -53.66 -43.65 68.99 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 121.064 0.459 . . . . 0.0 110.005 176.195 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.496 ' O ' ' HB3' ' A' ' 69' ' ' GLU . 54.5 mt-10 -67.5 -49.45 63.44 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-O 121.826 0.822 . . . . 0.0 110.659 177.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.42 ' HB3' ' CE ' ' A' ' 71' ' ' LYS . 13.3 m170 -65.33 -49.2 70.33 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.196 -0.911 . . . . 0.0 111.712 -172.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.722 HE21 ' HA ' ' A' ' 65' ' ' PHE . 29.5 pt20 -61.61 -28.52 69.42 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.835 0.35 . . . . 0.0 110.156 -179.628 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.496 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 38.9 tt0 -57.84 -36.75 72.73 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.652 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 22.0 ptt180 -113.74 15.97 18.63 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 120.073 -0.651 . . . . 0.0 112.258 179.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.534 ' HE3' ' OD1' ' A' ' 20' ' ' ASP . 63.0 mttm -118.85 -160.51 0.8 Allowed 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 110.1 -0.334 . . . . 0.0 110.1 176.19 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.458 HD21 ' O ' ' A' ' 26' ' ' VAL . 7.5 mp 56.43 -87.72 0.02 OUTLIER 'General case' 0 C--N 1.345 0.382 0 O-C-N 123.557 0.536 . . . . 0.0 111.502 -175.429 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 71.7 t60 -166.82 5.99 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 -178.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 83.88 -0.16 89.56 Favored Glycine 0 N--CA 1.447 -0.595 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -168.309 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 20.4 p -85.44 106.47 16.82 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.454 -0.373 . . . . 0.0 110.353 179.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 76.1 mt -150.51 156.04 36.55 Favored Pre-proline 0 C--N 1.32 -0.682 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 -175.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -80.0 166.21 21.17 Favored 'Trans proline' 0 N--CA 1.453 -0.91 0 C-N-CA 122.328 2.019 . . . . 0.0 110.703 174.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -74.01 90.01 1.95 Allowed 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 120.429 -0.508 . . . . 0.0 110.077 177.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 73.3 mt -90.8 92.77 8.94 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.929 178.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -83.33 42.38 0.82 Allowed 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.483 0.659 . . . . 0.0 110.411 -179.29 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.449 ' HA ' ' SD ' ' A' ' 83' ' ' MET . 8.2 m-85 -81.98 51.85 1.84 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.432 -178.169 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -66.13 -19.75 68.4 Favored Glycine 0 N--CA 1.45 -0.405 0 CA-C-N 115.77 -0.65 . . . . 0.0 112.03 179.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.449 ' SD ' ' HA ' ' A' ' 81' ' ' PHE . 0.0 OUTLIER -80.12 -5.95 56.86 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.917 0.389 . . . . 0.0 110.485 178.136 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -111.81 -25.09 9.64 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.037 179.529 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 18.6 mmt180 -64.17 126.7 28.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.779 178.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 31.5 ttpt 63.77 10.24 4.99 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 121.776 0.798 . . . . 0.0 110.862 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 43.0 tpp -87.3 -37.59 17.03 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.198 178.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.939 0 CA-C-N 114.814 -1.084 . . . . 0.0 110.764 174.655 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 78.5 t80 . . . . . 0 N--CA 1.477 0.922 0 CA-C-O 121.179 0.514 . . . . 0.0 110.243 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.568 ' O ' ' HD3' ' A' ' 4' ' ' PRO . 50.5 tp -152.96 135.0 14.79 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.141 174.465 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' A' ' 3' ' ' LEU . 4.4 mm? -81.44 106.43 5.86 Favored Pre-proline 0 C--N 1.321 -0.664 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 174.574 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.568 ' HD3' ' O ' ' A' ' 2' ' ' LEU . 23.4 Cg_exo -64.01 148.79 91.47 Favored 'Trans proline' 0 C--O 1.235 0.36 0 C-N-CA 122.987 2.458 . . . . 0.0 112.469 -177.268 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_exo -56.1 123.5 13.97 Favored 'Trans proline' 0 C--O 1.234 0.306 0 C-N-CA 122.794 2.329 . . . . 0.0 112.126 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.2 m 67.88 16.53 9.65 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.348 0.594 . . . . 0.0 111.402 179.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.1 m -115.02 58.26 0.71 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.663 0.745 . . . . 0.0 109.005 174.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -96.64 87.59 4.41 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.383 -0.826 . . . . 0.0 112.089 -172.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 53.8 t -121.33 77.97 1.38 Allowed 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 107.573 -1.269 . . . . 0.0 107.573 163.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 79.8 m -76.97 117.58 18.7 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 114.868 -1.06 . . . . 0.0 111.552 -171.061 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -92.67 -10.35 37.56 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.572 170.032 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -112.48 149.39 32.68 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.945 -1.025 . . . . 0.0 110.104 174.425 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 96.2 mt -136.24 135.48 39.08 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.716 0.293 . . . . 0.0 110.541 -176.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.464 ' CE2' ' HB2' ' A' ' 16' ' ' LYS . 36.5 t80 -72.42 -46.24 56.01 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.555 -179.385 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 47.0 mtp180 71.05 -25.51 0.17 Allowed 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 113.334 0.864 . . . . 0.0 113.334 173.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.464 ' HB2' ' CE2' ' A' ' 14' ' ' TYR . 57.6 mttp -85.47 155.22 59.7 Favored Pre-proline 0 C--N 1.322 -0.63 0 O-C-N 122.185 -0.322 . . . . 0.0 110.52 -179.689 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_exo -62.08 143.19 94.53 Favored 'Trans proline' 0 C--O 1.233 0.256 0 C-N-CA 122.558 2.172 . . . . 0.0 111.195 172.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.606 HD21 HG21 ' A' ' 52' ' ' ILE . 69.2 mt -91.11 138.46 31.58 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 120.882 0.372 . . . . 0.0 110.873 -176.238 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.553 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 25.0 m -56.24 128.32 35.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.546 177.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -61.15 -28.77 69.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.207 -0.451 . . . . 0.0 112.094 -172.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.496 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 45.5 mmtm -68.08 -44.16 76.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.5 0.19 . . . . 0.0 111.033 179.657 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.553 ' HG ' ' O ' ' A' ' 19' ' ' SER . 4.5 pp -75.73 -28.62 58.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.221 0.534 . . . . 0.0 110.161 174.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.654 ' HG ' ' CZ3' ' A' ' 64' ' ' TRP . 15.9 tp -66.42 -31.5 72.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.452 -173.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.496 ' HG2' ' O ' ' A' ' 21' ' ' LYS . 4.0 ptm180 -68.04 -9.01 42.54 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.674 0.273 . . . . 0.0 111.61 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 47.6 mtmt -104.76 9.19 35.06 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.859 0.362 . . . . 0.0 110.966 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.631 HG22 ' HG ' ' A' ' 47' ' ' LEU . 51.7 t -79.5 98.15 2.94 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.57 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 171.138 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 19.9 pt -83.5 -18.69 10.09 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.919 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.865 -169.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 37.5 mm-40 -154.16 157.63 39.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.296 -179.11 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 4.0 p -119.2 126.18 75.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 174.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -112.71 127.74 56.21 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.293 0.568 . . . . 0.0 110.82 -175.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 41.1 tp -91.44 106.68 18.67 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.285 -177.383 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.526 ' O ' ' HA ' ' A' ' 41' ' ' GLN . 49.1 tt0 -79.84 107.82 12.92 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 171.652 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -76.67 158.77 30.78 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.914 0.388 . . . . 0.0 111.353 -176.33 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.661 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . . . -75.72 -6.54 51.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.915 -175.313 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -168.45 26.5 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.595 0.712 . . . . 0.0 109.494 -178.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -93.47 -96.94 1.5 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.669 -0.777 . . . . 0.0 111.636 -179.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -78.21 -15.15 59.07 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.389 0.614 . . . . 0.0 109.921 175.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.1 t -156.94 170.44 22.51 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 176.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.487 ' O ' ' HB2' ' A' ' 40' ' ' LEU . 28.2 t60 -105.03 76.84 1.27 Allowed 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.094 -178.353 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.487 ' HB2' ' O ' ' A' ' 39' ' ' HIS . 5.6 tt 175.59 121.98 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 175.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.661 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 34.5 tt0 -86.12 123.96 32.0 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.357 0.599 . . . . 0.0 111.757 -176.184 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.59 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -148.45 134.7 19.4 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.431 177.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.572 ' O ' ' HB ' ' A' ' 54' ' ' ILE . 13.9 m-85 -89.86 99.99 12.89 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 172.336 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 25.1 t -102.05 136.3 34.8 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.98 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.038 -172.183 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.497 HD12 HD12 ' A' ' 18' ' ' LEU . 53.0 mt -99.06 125.47 44.57 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.173 0.511 . . . . 0.0 110.934 -175.677 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 19.2 t-80 -98.08 99.9 11.19 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.696 -172.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.631 ' HG ' HG22 ' A' ' 26' ' ' VAL . 5.9 mp -89.1 162.48 15.95 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.057 177.172 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.56 15.57 0.1 Allowed 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.116 -0.493 . . . . 0.0 112.11 -178.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.447 ' H ' ' C ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -133.27 -51.19 0.88 Allowed 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 179.281 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -163.6 167.19 21.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.234 -178.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.4 m -98.32 144.46 27.7 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.178 0.513 . . . . 0.0 111.737 -176.042 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.606 HG21 HD21 ' A' ' 18' ' ' LEU . 68.4 mt -111.45 135.38 50.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.148 175.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 30.7 m -100.39 121.8 42.1 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.239 0.543 . . . . 0.0 110.823 -169.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.572 ' HB ' ' O ' ' A' ' 43' ' ' PHE . 39.6 mt -124.34 142.76 40.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.604 -0.726 . . . . 0.0 111.182 -174.557 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.618 ' O ' ' HB2' ' A' ' 58' ' ' ASN . 42.1 t-80 -70.65 134.61 86.21 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.474 176.594 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.59 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 1.1 Cg_endo -46.16 -48.56 12.81 Favored 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 122.999 2.466 . . . . 0.0 112.702 -179.34 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -84.13 82.0 8.56 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 173.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.618 ' HB2' ' O ' ' A' ' 55' ' ' HIS . 0.9 OUTLIER -148.5 122.96 4.88 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-N 115.301 -0.863 . . . . 0.0 108.872 177.25 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -54.37 -29.29 57.63 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.74 2.293 . . . . 0.0 112.225 -173.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.4 p -60.03 -33.62 72.27 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.475 -0.784 . . . . 0.0 112.071 -178.462 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.509 ' HG ' ' HB3' ' A' ' 43' ' ' PHE . 0.3 OUTLIER -79.76 -47.17 15.69 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 121.001 -0.28 . . . . 0.0 110.256 -176.337 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.514 ' HA ' ' CD2' ' A' ' 65' ' ' PHE . 47.0 t -60.06 -46.53 89.23 Favored 'General case' 0 C--O 1.24 0.571 0 CA-C-O 121.268 0.556 . . . . 0.0 110.261 177.196 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -63.59 -28.67 70.09 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.256 177.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.654 ' CZ3' ' HG ' ' A' ' 23' ' ' LEU . 30.6 t-105 -69.33 -34.01 73.99 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.746 177.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.603 ' HA ' HE21 ' A' ' 68' ' ' GLN . 21.0 m-85 -53.32 -51.31 62.81 Favored 'General case' 0 C--O 1.238 0.483 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 175.223 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -63.97 -47.14 81.57 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.346 178.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 33.7 m170 -68.6 -43.29 76.75 Favored 'General case' 0 C--O 1.221 -0.405 0 CA-C-N 115.434 -0.803 . . . . 0.0 112.477 -173.316 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.603 HE21 ' HA ' ' A' ' 65' ' ' PHE . 28.7 pt20 -65.03 -27.42 68.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 117.882 0.31 . . . . 0.0 110.592 -176.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -63.76 -40.57 97.02 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.145 175.368 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 34.0 ptt180 -113.47 33.4 5.16 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 116.344 -0.389 . . . . 0.0 112.023 -178.144 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.519 ' HB3' HD23 ' A' ' 72' ' ' LEU . 12.2 ttmm -141.04 -167.86 2.48 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 174.281 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.519 HD23 ' HB3' ' A' ' 71' ' ' LYS . 0.2 OUTLIER 37.51 -93.67 0.01 OUTLIER 'General case' 0 C--N 1.346 0.453 0 C-N-CA 124.114 0.966 . . . . 0.0 112.244 -173.432 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -149.4 29.33 0.78 Allowed 'General case' 0 N--CA 1.445 -0.681 0 CA-C-O 121.336 0.588 . . . . 0.0 110.494 177.054 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 62.82 55.93 24.0 Favored Glycine 0 C--N 1.331 0.28 0 CA-C-N 115.109 -0.95 . . . . 0.0 113.139 175.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 19.1 p -132.17 129.02 39.23 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.657 0.265 . . . . 0.0 111.397 -179.512 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.53 ' C ' HD12 ' A' ' 76' ' ' LEU . 3.6 pp -156.24 146.29 15.72 Favored Pre-proline 0 C--N 1.321 -0.669 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.856 178.058 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -81.79 130.69 6.82 Favored 'Trans proline' 0 N--CA 1.457 -0.654 0 C-N-CA 122.692 2.262 . . . . 0.0 112.191 178.158 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -82.39 82.13 7.97 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.209 0.528 . . . . 0.0 110.085 178.028 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.546 HD23 ' H ' ' A' ' 79' ' ' LEU . 2.2 pt? -99.06 16.67 21.9 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.104 178.014 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 50.4 m-80 55.43 91.92 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 114.368 -1.287 . . . . 0.0 110.783 -177.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.456 ' O ' ' HG3' ' A' ' 85' ' ' ARG . 19.8 p90 -119.77 22.43 11.57 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.553 -172.739 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -69.01 -19.29 73.6 Favored Glycine 0 C--O 1.227 -0.32 0 C-N-CA 121.081 -0.581 . . . . 0.0 112.181 -178.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.444 ' SD ' ' HA ' ' A' ' 81' ' ' PHE . 0.0 OUTLIER -81.69 -4.26 55.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.719 0.295 . . . . 0.0 110.921 -178.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 34.9 tp -116.04 -19.6 10.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.433 -176.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.456 ' HG3' ' O ' ' A' ' 81' ' ' PHE . 62.2 mtp180 -64.4 106.77 1.19 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.039 0.447 . . . . 0.0 111.385 -174.518 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.458 ' HB3' ' HE2' ' A' ' 86' ' ' LYS . 37.4 mtpt 59.78 16.1 5.32 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.078 -0.964 . . . . 0.0 110.902 -175.147 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 65.9 mtt -109.34 -23.03 11.77 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.668 -0.697 . . . . 0.0 111.01 -178.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.206 0 CA-C-O 118.696 -1.058 . . . . 0.0 111.456 178.72 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 35.9 p90 . . . . . 0 N--CA 1.481 1.107 0 CA-C-O 121.092 0.472 . . . . 0.0 110.684 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.694 ' H ' HD23 ' A' ' 2' ' ' LEU . 2.1 pt? -74.27 143.7 44.93 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 172.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.5 HD12 ' HA ' ' A' ' 8' ' ' ALA . 3.4 mm? -94.87 110.45 49.71 Favored Pre-proline 0 C--N 1.319 -0.726 0 CA-C-O 121.161 0.505 . . . . 0.0 110.971 -178.164 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.644 ' HB2' ' HB ' ' A' ' 7' ' ' THR . 42.3 Cg_exo -57.39 147.63 76.55 Favored 'Trans proline' 0 CA--C 1.529 0.262 0 C-N-CA 122.909 2.406 . . . . 0.0 111.757 176.248 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -54.54 115.19 2.22 Favored 'Trans proline' 0 C--O 1.238 0.505 0 C-N-CA 123.15 2.567 . . . . 0.0 112.939 -176.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 t 61.77 32.24 18.25 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-O 121.878 0.847 . . . . 0.0 110.068 -178.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.644 ' HB ' ' HB2' ' A' ' 4' ' ' PRO . 6.1 m -135.3 35.04 3.01 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 107.108 -1.441 . . . . 0.0 107.108 170.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.5 ' HA ' HD12 ' A' ' 3' ' ' LEU . . . -88.03 89.06 7.84 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 113.963 -1.471 . . . . 0.0 111.043 -170.611 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.628 ' HA ' ' NE2' ' A' ' 32' ' ' GLN . 49.3 t -104.02 81.57 1.87 Allowed 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 173.447 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 76.1 m -79.67 117.25 20.42 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.813 -177.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.1 p -94.63 2.05 55.6 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.305 0.574 . . . . 0.0 110.182 173.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.407 HE21 ' H ' ' A' ' 12' ' ' GLN . 0.2 OUTLIER -132.95 145.61 51.04 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.426 177.534 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 98.2 mt -122.1 142.13 50.69 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.535 -177.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.433 ' CE2' ' HB3' ' A' ' 16' ' ' LYS . 12.3 t80 -75.08 -40.42 60.12 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.743 -177.549 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 60.66 23.54 13.36 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 175.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.466 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 85.3 tttt -136.97 133.4 18.64 Favored Pre-proline 0 C--N 1.319 -0.739 0 CA-C-O 120.594 0.235 . . . . 0.0 110.53 -177.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.771 ' HA ' ' HB3' ' A' ' 60' ' ' SER . 33.7 Cg_exo -62.17 130.02 29.11 Favored 'Trans proline' 0 N--CA 1.464 -0.242 0 C-N-CA 122.737 2.292 . . . . 0.0 111.838 176.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.719 ' HB3' HD11 ' A' ' 22' ' ' LEU . 90.4 mt -84.34 160.96 20.58 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.821 -178.078 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.67 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 22.3 m -70.12 135.18 48.93 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.614 177.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.533 ' HA ' HD12 ' A' ' 23' ' ' LEU . 22.7 t70 -60.28 -32.52 71.27 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.963 0.411 . . . . 0.0 111.037 -178.535 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.492 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 36.7 mmtm -59.13 -45.69 90.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.336 177.227 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.719 HD11 ' HB3' ' A' ' 18' ' ' LEU . 4.2 pp -74.86 -26.57 59.77 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.194 177.102 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.554 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 58.4 mt -62.66 -46.11 89.69 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.325 179.74 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.495 ' HB3' ' HD3' ' A' ' 71' ' ' LYS . 26.0 ptt180 -62.69 2.89 0.25 Allowed 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 179.19 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.565 ' HD3' ' HA ' ' A' ' 22' ' ' LEU . 24.2 mtpp -102.5 -17.41 15.78 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 122.747 0.419 . . . . 0.0 110.054 176.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 43.9 t -69.74 102.19 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.07 -174.314 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 33.9 pt -76.5 -26.09 16.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.208 -171.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 -146.14 155.33 42.66 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.015 0.436 . . . . 0.0 111.02 -178.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 40.6 t -120.18 115.43 47.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 172.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -105.26 113.83 27.64 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-O 121.557 0.694 . . . . 0.0 110.417 -175.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 41.4 tp -80.21 109.82 15.05 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.585 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.628 ' NE2' ' HA ' ' A' ' 9' ' ' CYS . 42.4 tt0 -72.12 103.88 3.44 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 171.552 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -74.28 152.05 39.75 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.941 -179.399 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.476 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . . . -73.94 6.65 3.16 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 -173.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -164.65 -28.9 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.076 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -63.87 -55.17 26.14 Favored Glycine 0 C--N 1.331 0.256 0 CA-C-N 115.969 -0.559 . . . . 0.0 113.038 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -91.29 -39.05 12.27 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.36 0.6 . . . . 0.0 109.995 -177.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 35.3 t -168.84 172.93 7.42 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 9.8 t60 -88.25 76.87 8.34 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 118.957 0.799 . . . . 0.0 109.878 179.193 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.611 ' HB3' ' NE2' ' A' ' 32' ' ' GLN . 1.2 tm? -179.79 135.37 0.11 Allowed 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 106.881 -1.526 . . . . 0.0 106.881 -176.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.476 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 41.8 tt0 -107.07 122.48 46.55 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.399 -0.521 . . . . 0.0 110.975 -178.252 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.574 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -153.39 151.14 29.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.002 0.429 . . . . 0.0 111.238 179.336 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.905 ' HB3' ' HG ' ' A' ' 61' ' ' LEU . 1.3 m-85 -102.3 105.12 15.7 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 173.019 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.432 HG13 ' O ' ' A' ' 52' ' ' ILE . 91.4 t -104.29 131.15 53.82 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.285 -171.457 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.474 HD12 HD12 ' A' ' 18' ' ' LEU . 67.7 mt -91.86 126.18 36.84 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.469 -178.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 11.5 t60 -107.75 109.49 21.08 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.923 -173.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 5.5 mp -98.54 165.98 11.57 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 174.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.46 -11.75 58.61 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.803 0.335 . . . . 0.0 111.684 -176.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.401 ' HB2' ' HG3' ' A' ' 50' ' ' ARG . 3.2 mp0 -102.17 -47.14 4.62 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.971 0.415 . . . . 0.0 110.073 179.376 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.482 HH12 HD11 ' A' ' 52' ' ' ILE . 0.2 OUTLIER -163.79 173.21 13.08 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.02 -174.585 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 48.4 m -113.44 158.49 20.6 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.08 -178.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.482 HD11 HH12 ' A' ' 50' ' ' ARG . 62.5 mt -126.92 142.17 44.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.422 176.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 31.4 m -101.1 121.26 41.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.14 0.495 . . . . 0.0 110.673 -171.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.425 ' HB ' ' O ' ' A' ' 43' ' ' PHE . 37.5 mt -127.52 142.56 43.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.396 -175.193 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.532 ' O ' ' HB2' ' A' ' 58' ' ' ASN . 49.0 t-80 -63.22 130.81 94.48 Favored Pre-proline 0 C--N 1.33 -0.243 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 173.59 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.574 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 95.4 Cg_exo -44.87 -55.37 3.41 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 123.055 2.503 . . . . 0.0 112.867 -177.305 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 89.6 mm-40 -85.84 80.59 8.87 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.314 0.578 . . . . 0.0 109.958 174.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.532 ' HB2' ' O ' ' A' ' 55' ' ' HIS . 2.0 t30 -136.05 134.38 20.29 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.068 175.46 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo -58.42 -6.09 2.81 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 123.423 2.748 . . . . 0.0 112.996 -177.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.771 ' HB3' ' HA ' ' A' ' 17' ' ' PRO . 13.3 p -85.72 -43.71 13.14 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.852 178.054 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.905 ' HG ' ' HB3' ' A' ' 43' ' ' PHE . 0.2 OUTLIER -80.1 -41.44 25.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.009 0.433 . . . . 0.0 110.695 -174.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 12.2 m -70.59 -47.55 59.65 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.607 0.718 . . . . 0.0 110.433 -176.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -59.52 -28.6 67.21 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.111 -0.949 . . . . 0.0 109.218 174.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.554 ' CZ3' ' HB3' ' A' ' 23' ' ' LEU . 9.2 t-105 -66.08 -40.18 90.62 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.605 177.5 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -53.13 -39.62 63.63 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.532 0.206 . . . . 0.0 111.007 178.349 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -75.89 -46.33 30.66 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.329 0.585 . . . . 0.0 110.769 177.116 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 11.1 m170 -64.19 -41.89 96.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.702 -177.072 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.548 ' HB3' ' CE2' ' A' ' 64' ' ' TRP . 4.3 pt20 -71.1 -24.84 62.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.648 0.261 . . . . 0.0 110.618 -179.166 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -61.45 -30.49 70.62 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.641 176.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 14.5 ptt180 -113.49 14.9 19.13 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 116.141 -0.482 . . . . 0.0 112.023 179.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.495 ' HD3' ' HB3' ' A' ' 24' ' ' ARG . 62.1 mttm -127.62 -159.6 0.95 Allowed 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 172.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.8 mp 58.56 -89.17 0.02 OUTLIER 'General case' 0 C--N 1.346 0.416 0 CA-C-O 121.015 0.436 . . . . 0.0 111.87 -178.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 31.3 t-80 -157.35 -1.06 0.11 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.923 -177.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 73.89 14.6 80.02 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.208 -175.264 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 26.8 p -126.43 124.18 39.57 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 122.196 0.199 . . . . 0.0 110.748 -178.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 71.4 mt -147.54 154.58 44.99 Favored Pre-proline 0 N--CA 1.439 -0.986 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 -179.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -47.8 144.78 10.77 Favored 'Trans proline' 0 C--N 1.326 -0.609 0 C-N-CA 123.791 2.994 . . . . 0.0 113.073 171.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.591 ' HD3' ' HE2' ' A' ' 81' ' ' PHE . 31.6 mmtp -91.83 59.62 3.71 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.57 0.7 . . . . 0.0 109.496 176.508 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.423 ' HG ' ' H ' ' A' ' 79' ' ' LEU . 2.9 pp -84.81 32.65 0.52 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.182 -0.917 . . . . 0.0 112.043 -174.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.446 ' O ' ' HG2' ' A' ' 83' ' ' MET . 11.0 m120 65.77 32.24 9.02 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.788 -179.08 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.591 ' HE2' ' HD3' ' A' ' 78' ' ' LYS . 34.7 p90 -58.36 -20.27 42.4 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.893 -175.658 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.53 ' O ' ' HG2' ' A' ' 86' ' ' LYS . . . -61.72 -24.48 64.39 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.433 176.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.446 ' HG2' ' O ' ' A' ' 80' ' ' ASN . 26.0 ptt? -64.11 -26.43 68.54 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 121.1 0.476 . . . . 0.0 111.365 -177.623 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 23.0 tp -97.12 -36.1 10.58 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.903 -174.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -83.99 34.72 0.51 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.867 0.841 . . . . 0.0 111.545 -177.161 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.53 ' HG2' ' O ' ' A' ' 82' ' ' GLY . 74.5 mmtt -104.71 -12.53 16.31 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-N 114.666 -1.152 . . . . 0.0 108.1 171.108 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.514 ' HE2' ' HA ' ' A' ' 87' ' ' MET . 17.3 mmt 57.35 82.13 0.13 Allowed 'General case' 0 C--O 1.234 0.261 0 CA-C-N 114.28 -1.327 . . . . 0.0 110.755 -174.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.976 0 CA-C-O 118.727 -1.041 . . . . 0.0 111.259 -178.056 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 42.2 p90 . . . . . 0 N--CA 1.481 1.077 0 CA-C-O 121.396 0.617 . . . . 0.0 110.764 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.471 ' O ' ' HD3' ' A' ' 4' ' ' PRO . 3.5 pp -120.47 145.29 47.39 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.13 175.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.435 HD13 ' HA ' ' A' ' 3' ' ' LEU . 4.0 mm? -73.17 112.33 15.22 Favored Pre-proline 0 C--N 1.321 -0.661 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.323 178.73 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.471 ' HD3' ' O ' ' A' ' 2' ' ' LEU . 34.1 Cg_exo -57.87 147.6 80.41 Favored 'Trans proline' 0 C--O 1.235 0.334 0 C-N-CA 122.789 2.326 . . . . 0.0 112.065 179.1 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.85 127.65 26.45 Favored 'Trans proline' 0 C--O 1.235 0.361 0 C-N-CA 122.858 2.372 . . . . 0.0 112.598 -178.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.9 m 65.05 25.69 12.58 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.615 177.516 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.9 m -116.66 84.07 2.07 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.32 0.581 . . . . 0.0 109.89 176.007 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -90.71 89.53 7.55 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.793 -0.639 . . . . 0.0 112.11 -173.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 15.3 t -151.26 67.08 0.9 Allowed 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 122.009 0.909 . . . . 0.0 108.632 170.384 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 15.8 t -91.42 138.23 31.74 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.33 -1.304 . . . . 0.0 110.402 -178.118 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.6 p -117.76 -32.75 4.73 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 177.514 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -87.77 98.5 11.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.709 0.766 . . . . 0.0 111.236 177.442 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.6 HD23 ' SG ' ' A' ' 53' ' ' CYS . 15.3 mt -86.12 141.89 29.07 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.789 -175.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.458 ' CE2' ' HB2' ' A' ' 16' ' ' LYS . 50.1 t80 -68.87 -21.54 64.26 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.629 -174.675 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 27.2 ptt180 45.39 31.78 0.92 Allowed 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 113.635 0.976 . . . . 0.0 113.635 174.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.458 ' HB2' ' CE2' ' A' ' 14' ' ' TYR . 59.7 mttp -142.85 149.62 50.39 Favored Pre-proline 0 C--N 1.328 -0.343 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 176.766 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.514 ' HA ' ' HB2' ' A' ' 60' ' ' SER . 9.9 Cg_exo -71.94 136.83 28.23 Favored 'Trans proline' 0 C--O 1.234 0.305 0 C-N-CA 122.97 2.447 . . . . 0.0 111.817 176.274 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.803 ' HB3' HD11 ' A' ' 22' ' ' LEU . 68.5 mt -90.08 162.22 15.43 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.761 -178.081 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.542 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 46.2 m -93.8 145.09 24.85 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.073 -178.191 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.497 ' OD1' ' HE3' ' A' ' 71' ' ' LYS . 20.8 t70 -59.83 -36.93 77.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.727 -174.619 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.589 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 60.0 mttp -60.01 -45.8 91.57 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.356 -179.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.803 HD11 ' HB3' ' A' ' 18' ' ' LEU . 4.4 pp -74.39 -27.96 60.88 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.457 -0.497 . . . . 0.0 110.576 176.582 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.49 ' HA ' HG23 ' A' ' 26' ' ' VAL . 67.7 mt -66.32 -37.9 86.46 Favored 'General case' 0 C--O 1.225 -0.237 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.312 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.696 ' HB3' ' HD3' ' A' ' 71' ' ' LYS . 10.9 ptt180 -67.04 4.19 0.94 Allowed 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 121.114 0.483 . . . . 0.0 111.676 -179.041 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.51 ' HE2' ' HA ' ' A' ' 22' ' ' LEU . 34.6 mtmt -117.41 2.15 12.43 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.318 177.8 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.597 HG22 ' HG ' ' A' ' 47' ' ' LEU . 61.8 t -84.08 95.5 3.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 178.679 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.41 HG13 ' HG2' ' A' ' 28' ' ' GLN . 36.9 pt -77.26 -19.92 14.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.152 -170.104 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.742 ' HB2' ' HB3' ' A' ' 46' ' ' HIS . 24.4 mm-40 -134.33 135.81 43.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.0 0.429 . . . . 0.0 111.563 -178.145 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.452 ' HB ' ' HG3' ' A' ' 77' ' ' PRO . 42.5 t -116.65 115.17 48.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 172.149 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -127.3 141.62 51.66 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.494 0.664 . . . . 0.0 111.992 -173.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 53.8 tp -94.88 125.74 39.75 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.602 -179.349 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.422 ' HB3' ' HB3' ' A' ' 42' ' ' ALA . 42.8 tt0 -90.87 113.41 25.59 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.314 173.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -79.65 138.91 37.53 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.955 -175.091 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.671 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . . . -75.37 -4.48 39.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.489 -178.463 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -133.9 -15.51 2.33 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.853 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -75.98 -87.9 0.29 Allowed Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.827 -176.375 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -96.7 2.33 51.95 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 122.743 -0.269 . . . . 0.0 111.44 -177.205 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.7 t -159.17 178.87 9.55 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 -175.246 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 11.3 p-80 -108.01 13.21 26.3 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.078 0.466 . . . . 0.0 110.37 177.03 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -135.84 131.37 35.27 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 -176.214 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.671 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 36.1 tt0 -86.69 125.98 34.24 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.596 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -143.54 161.97 37.09 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.122 0.487 . . . . 0.0 111.04 -178.111 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.532 ' CB ' ' HG ' ' A' ' 61' ' ' LEU . 59.7 m-85 -118.22 105.92 12.29 Favored 'General case' 0 C--N 1.314 -0.949 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 173.761 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 26.0 t -102.87 129.37 54.64 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.969 0 CA-C-O 121.311 0.577 . . . . 0.0 110.698 -172.535 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.555 HD12 HD12 ' A' ' 18' ' ' LEU . 72.8 mt -101.78 121.22 41.67 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.915 -179.26 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.742 ' HB3' ' HB2' ' A' ' 28' ' ' GLN . 64.7 t60 -108.98 110.07 21.27 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.282 -170.641 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.597 ' HG ' HG22 ' A' ' 26' ' ' VAL . 4.6 mp -93.87 166.69 12.06 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.19 177.597 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -77.48 -5.19 49.08 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.184 0.516 . . . . 0.0 110.838 -176.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -121.96 -11.1 8.56 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.88 -177.481 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -175.36 177.98 1.75 Allowed 'General case' 0 N--CA 1.463 0.178 0 C-N-CA 121.204 -0.199 . . . . 0.0 110.9 -170.34 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 17.9 m -140.01 136.95 34.24 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 177.397 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.407 HG21 HD21 ' A' ' 18' ' ' LEU . 64.3 mt -116.97 138.79 46.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 179.485 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.6 ' SG ' HD23 ' A' ' 13' ' ' LEU . 35.7 t -102.49 120.59 40.78 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.016 0.436 . . . . 0.0 110.407 -174.522 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.449 ' HB ' ' O ' ' A' ' 43' ' ' PHE . 1.6 mt -115.03 143.42 24.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.542 0.687 . . . . 0.0 111.475 -176.538 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.505 ' O ' ' HB2' ' A' ' 58' ' ' ASN . 40.8 t-80 -83.58 139.78 41.15 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.999 179.255 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.596 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 18.3 Cg_endo -60.56 153.04 64.09 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.252 1.968 . . . . 0.0 111.459 176.007 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.458 ' HB2' ' O ' ' A' ' 56' ' ' PRO . 79.0 mt-30 71.17 9.26 6.62 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 122.677 0.391 . . . . 0.0 111.612 -176.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.505 ' HB2' ' O ' ' A' ' 55' ' ' HIS . 3.6 m120 -87.74 126.1 62.75 Favored Pre-proline 0 C--O 1.234 0.274 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 172.353 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 58' ' ' ASN . 58.6 Cg_exo -52.34 -35.3 64.1 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 123.305 2.67 . . . . 0.0 112.822 -176.447 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.514 ' HB2' ' HA ' ' A' ' 17' ' ' PRO . 31.8 t -58.63 -28.92 66.11 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.272 -0.422 . . . . 0.0 112.068 -176.234 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.532 ' HG ' ' CB ' ' A' ' 43' ' ' PHE . 0.6 OUTLIER -80.63 -47.17 14.5 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.123 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 32.8 t -62.91 -45.94 90.13 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.103 0.478 . . . . 0.0 110.303 -179.086 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -64.45 -27.15 68.79 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.22 177.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.467 ' CZ3' ' HB3' ' A' ' 23' ' ' LEU . 11.4 t-105 -71.32 -33.38 69.6 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.696 177.563 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -60.26 -36.37 77.64 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.255 -0.578 . . . . 0.0 110.381 174.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.426 ' O ' ' HB3' ' A' ' 69' ' ' GLU . 75.3 mm-40 -73.52 -43.47 59.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.301 175.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.58 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 10.3 m170 -71.19 -37.54 72.13 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.353 -177.731 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.453 ' HG2' HD22 ' A' ' 72' ' ' LEU . 0.5 OUTLIER -60.07 -41.14 91.78 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.102 0.477 . . . . 0.0 109.928 175.831 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.426 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 4.6 tp10 -53.66 -35.15 60.71 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.19 -0.914 . . . . 0.0 110.618 176.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.3 ptp180 -113.63 31.5 6.46 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.458 -176.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.696 ' HD3' ' HB3' ' A' ' 24' ' ' ARG . 7.3 ttmm -154.92 -163.31 1.54 Allowed 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.701 -0.227 . . . . 0.0 110.666 -176.12 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.504 HD21 ' O ' ' A' ' 26' ' ' VAL . 6.8 mp 60.43 -81.74 0.02 OUTLIER 'General case' 0 C--N 1.344 0.343 0 N-CA-C 113.991 1.108 . . . . 0.0 113.991 179.463 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 177.97 -26.69 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 -164.343 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 119.66 0.49 13.7 Favored Glycine 0 N--CA 1.448 -0.511 0 N-CA-C 110.295 -1.122 . . . . 0.0 110.295 -171.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 16.5 p -76.56 118.16 18.93 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 114.883 -0.659 . . . . 0.0 110.254 178.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.534 ' C ' HD12 ' A' ' 76' ' ' LEU . 4.0 pp -143.64 151.93 55.0 Favored Pre-proline 0 C--N 1.315 -0.907 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.851 -173.643 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.452 ' HG3' ' HB ' ' A' ' 29' ' ' VAL . 98.2 Cg_endo -82.63 139.3 9.98 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 122.515 2.143 . . . . 0.0 113.132 -176.444 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -87.95 65.72 8.39 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.931 -177.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.1 pp -128.0 14.41 6.82 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.155 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 9.5 t30 50.23 88.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.606 -1.179 . . . . 0.0 111.522 -177.187 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.523 ' HE2' HD13 ' A' ' 76' ' ' LEU . 6.2 p90 -90.9 8.01 37.17 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.286 -179.164 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -69.36 -12.65 66.6 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 121.038 -0.601 . . . . 0.0 111.856 177.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.64 0.96 40.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.64 0.257 . . . . 0.0 111.082 179.146 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 50.8 tp -132.39 -27.91 1.72 Allowed 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -176.164 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 65.2 mtp180 -60.11 120.76 10.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.123 0.487 . . . . 0.0 111.912 -175.027 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.471 ' HD2' ' HA ' ' A' ' 86' ' ' LYS . 18.0 tptm 65.73 15.17 9.93 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 114.716 -1.129 . . . . 0.0 110.404 178.278 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 65.5 mtt -107.59 -10.28 15.71 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.327 -0.852 . . . . 0.0 109.796 177.388 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.115 -1.38 . . . . 0.0 110.834 177.959 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 38.3 t80 . . . . . 0 N--CA 1.478 0.975 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.507 ' O ' ' HD3' ' A' ' 4' ' ' PRO . 7.8 tt -76.88 129.21 35.9 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.293 175.03 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -79.15 107.71 6.81 Favored Pre-proline 0 C--N 1.323 -0.548 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 176.162 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.698 ' HB2' ' HB ' ' A' ' 7' ' ' THR . 19.9 Cg_exo -64.96 143.01 77.65 Favored 'Trans proline' 0 C--O 1.233 0.268 0 C-N-CA 122.739 2.292 . . . . 0.0 112.405 -178.334 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 4' ' ' PRO . 52.7 Cg_exo -55.25 133.29 57.25 Favored 'Trans proline' 0 C--O 1.236 0.403 0 C-N-CA 122.828 2.352 . . . . 0.0 111.643 177.547 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.5 p 53.85 26.56 6.25 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 123.519 0.728 . . . . 0.0 111.543 -179.267 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.698 ' HB ' ' HB2' ' A' ' 4' ' ' PRO . 31.2 m -132.9 85.4 2.22 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.708 176.731 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.467 ' O ' ' HG3' ' A' ' 32' ' ' GLN . . . -80.77 88.22 5.82 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.4 179.733 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 82.8 m -131.63 106.05 7.92 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.622 177.45 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.507 ' HB2' HE22 ' A' ' 32' ' ' GLN . 97.4 m -110.04 118.77 37.32 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.97 -175.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.8 p -105.07 1.65 28.71 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.64 0.733 . . . . 0.0 109.549 168.427 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -144.36 158.89 43.51 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.586 -178.611 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.538 HD13 ' HB3' ' A' ' 55' ' ' HIS . 87.1 mt -137.02 153.42 50.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.194 -178.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 56.9 t80 -81.43 -37.86 27.39 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 177.284 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 91.0 mtt180 74.39 -40.39 0.45 Allowed 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.811 0.844 . . . . 0.0 112.507 173.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.2 mptp? -79.23 162.33 64.46 Favored Pre-proline 0 C--N 1.324 -0.512 0 C-N-CA 122.349 0.26 . . . . 0.0 111.037 178.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -74.83 158.82 42.59 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.494 2.129 . . . . 0.0 112.498 176.299 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.776 ' HB3' HD11 ' A' ' 22' ' ' LEU . 89.8 mt -103.42 146.1 28.99 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.152 -177.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.663 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 13.6 m -76.14 143.79 40.99 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.479 178.413 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.507 ' HA ' HD12 ' A' ' 23' ' ' LEU . 12.4 t70 -62.65 -28.9 70.24 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 120.83 0.348 . . . . 0.0 110.948 -177.492 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.549 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 57.7 mtpt -57.03 -46.74 82.15 Favored 'General case' 0 C--O 1.227 -0.122 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.214 176.699 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.776 HD11 ' HB3' ' A' ' 18' ' ' LEU . 4.4 pp -75.01 -27.67 60.21 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.611 -0.435 . . . . 0.0 110.291 178.562 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.657 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 77.6 mt -65.02 -40.01 94.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.023 -178.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.592 ' HB3' ' HD3' ' A' ' 71' ' ' LYS . 19.3 ptp180 -72.05 3.9 4.0 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.339 0.59 . . . . 0.0 111.079 179.431 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.412 ' HE2' ' HA ' ' A' ' 22' ' ' LEU . 54.8 mtmt -116.18 6.55 13.93 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.95 178.09 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.745 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 47.1 t -76.54 152.71 5.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 175.08 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.522 HD13 ' HA ' ' A' ' 48' ' ' ALA . 30.1 pt -123.58 -31.75 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 C-N-CA 120.866 -0.334 . . . . 0.0 111.321 179.325 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.454 ' HB2' ' HB3' ' A' ' 46' ' ' HIS . 84.4 mm-40 -139.13 152.63 47.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.172 0.51 . . . . 0.0 111.605 -175.719 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 86.8 t -123.96 134.52 66.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 174.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.55 ' HG3' ' HB ' ' A' ' 44' ' ' VAL . 1.5 pt-20 -136.0 141.74 44.4 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.268 0.556 . . . . 0.0 112.03 -174.424 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 50.7 tp -107.66 115.67 30.56 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.94 176.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.507 HE22 ' HB2' ' A' ' 10' ' ' CYS . 8.5 tt0 -73.56 104.55 4.56 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 176.436 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -74.21 123.95 25.46 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 175.265 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.417 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . . . -70.88 30.05 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 114.434 1.272 . . . . 0.0 114.434 -163.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -177.2 -39.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.602 0.239 . . . . 0.0 111.278 -178.428 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -59.63 -29.69 67.42 Favored Glycine 0 C--O 1.235 0.163 0 CA-C-N 116.078 -0.51 . . . . 0.0 113.272 -177.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -127.16 -51.09 1.42 Allowed 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 177.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 6.5 m -149.51 161.89 41.23 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.151 176.341 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.488 ' O ' ' HB3' ' A' ' 40' ' ' LEU . 11.5 p-80 -72.88 165.42 24.96 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 110.473 -0.195 . . . . 0.0 110.473 179.597 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.488 ' HB3' ' O ' ' A' ' 39' ' ' HIS . 55.9 tp 73.74 132.5 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.448 0 O-C-N 123.972 0.795 . . . . 0.0 110.705 -176.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.417 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 53.3 tt0 -100.55 134.51 43.4 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.603 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.559 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -155.04 148.34 24.99 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.995 0.426 . . . . 0.0 112.112 -178.252 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -97.73 107.58 20.1 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.403 -0.817 . . . . 0.0 108.914 172.014 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.55 ' HB ' ' HG3' ' A' ' 30' ' ' GLU . 48.6 t -106.34 134.7 47.17 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.052 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.95 -172.436 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.552 HD12 HD12 ' A' ' 18' ' ' LEU . 67.7 mt -105.6 119.65 39.66 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.842 -178.244 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.454 ' HB3' ' HB2' ' A' ' 28' ' ' GLN . 1.7 t60 -104.16 107.09 17.83 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.586 -172.167 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.745 ' HA ' ' HA ' ' A' ' 26' ' ' VAL . 6.9 mp -87.53 167.75 13.67 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.035 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.522 ' HA ' HD13 ' A' ' 27' ' ' ILE . . . -62.22 -26.42 68.36 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.161 0.505 . . . . 0.0 111.295 -177.352 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.415 ' H ' ' NE2' ' A' ' 49' ' ' GLN . 0.0 OUTLIER -134.94 9.96 3.58 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.412 -178.273 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.55 ' HB2' ' HB2' ' A' ' 47' ' ' LEU . 65.9 mtt180 -146.5 170.22 17.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.041 0.448 . . . . 0.0 111.436 -175.661 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 41.8 m -151.92 122.79 7.52 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.321 173.023 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.595 HG21 HD21 ' A' ' 18' ' ' LEU . 3.7 mp -117.61 130.62 72.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 179.633 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.453 ' SG ' HG22 ' A' ' 44' ' ' VAL . 30.1 t -102.77 121.52 42.64 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.289 0.566 . . . . 0.0 110.237 -177.634 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.401 HG21 ' HB2' ' A' ' 61' ' ' LEU . 28.3 mt -121.37 136.94 56.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.34 -177.691 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.538 ' HB3' HD13 ' A' ' 13' ' ' LEU . 7.3 p80 -76.72 151.12 82.34 Favored Pre-proline 0 C--N 1.327 -0.405 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 177.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.559 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 31.9 Cg_exo -57.64 152.67 47.15 Favored 'Trans proline' 0 CA--C 1.528 0.212 0 C-N-CA 122.638 2.225 . . . . 0.0 112.217 -179.39 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 64.88 70.29 0.48 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.849 0.833 . . . . 0.0 110.24 -175.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -139.26 132.95 15.86 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.624 179.355 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.591 ' O ' ' HG3' ' A' ' 63' ' ' GLN . 5.4 Cg_endo -47.95 -52.12 8.76 Favored 'Trans proline' 0 N--CA 1.462 -0.344 0 C-N-CA 123.342 2.695 . . . . 0.0 112.547 -179.789 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 12.8 t -62.91 -39.35 94.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.751 0.31 . . . . 0.0 110.973 -175.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.434 HD22 ' HA ' ' A' ' 61' ' ' LEU . 0.6 OUTLIER -66.17 -46.68 76.56 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.844 -179.55 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 60.8 m -62.54 -45.07 94.64 Favored 'General case' 0 C--O 1.243 0.731 0 CA-C-O 121.341 0.591 . . . . 0.0 111.026 177.26 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.591 ' HG3' ' O ' ' A' ' 59' ' ' PRO . 45.3 mt-30 -56.99 -39.52 74.83 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.095 176.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.657 ' CZ3' ' HB3' ' A' ' 23' ' ' LEU . 22.8 t-105 -68.0 -31.36 71.0 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.241 -177.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.479 ' HA ' HE21 ' A' ' 68' ' ' GLN . 10.0 m-30 -52.99 -54.39 35.9 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-O 121.189 0.519 . . . . 0.0 110.208 175.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.404 ' O ' ' HG2' ' A' ' 70' ' ' ARG . 37.8 mt-10 -74.8 -35.28 62.49 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.279 -179.446 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.428 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 7.6 m170 -68.35 -41.67 80.35 Favored 'General case' 0 C--O 1.223 -0.308 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.682 -178.371 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.479 HE21 ' HA ' ' A' ' 65' ' ' PHE . 29.7 pt20 -64.64 -33.21 75.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.93 0.395 . . . . 0.0 110.449 -179.158 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -64.07 -28.91 70.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.352 179.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.404 ' HG2' ' O ' ' A' ' 66' ' ' GLU . 15.9 ptm180 -114.2 25.71 10.88 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.655 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.592 ' HD3' ' HB3' ' A' ' 24' ' ' ARG . 10.0 ttmm -145.74 -171.31 3.66 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 -178.791 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.597 HD23 HD21 ' A' ' 76' ' ' LEU . 6.7 mp 58.31 -81.25 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 112.608 0.595 . . . . 0.0 112.608 -176.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 13.2 t-80 -175.38 -22.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.69 -172.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 99.38 -14.09 61.09 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.814 -0.708 . . . . 0.0 111.448 -178.093 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 12.7 p -84.08 93.48 8.12 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-O 121.15 0.5 . . . . 0.0 110.843 179.042 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.597 HD21 HD23 ' A' ' 72' ' ' LEU . 66.6 mt -144.31 162.33 40.35 Favored Pre-proline 0 N--CA 1.441 -0.913 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 -174.44 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_exo -44.24 125.05 5.44 Favored 'Trans proline' 0 N--CA 1.462 -0.339 0 C-N-CA 123.079 2.519 . . . . 0.0 112.249 169.309 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 83.9 mttt -85.64 50.23 1.92 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.676 0.751 . . . . 0.0 110.198 -175.356 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.403 ' H ' ' HG ' ' A' ' 79' ' ' LEU . 2.5 pp -90.72 33.81 0.92 Allowed 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 114.668 -1.151 . . . . 0.0 111.439 -175.018 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 72.28 12.24 5.78 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-O 122.491 1.139 . . . . 0.0 108.916 -178.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.486 ' HB2' HH11 ' A' ' 85' ' ' ARG . 14.8 m-85 47.89 33.13 3.11 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 113.524 -1.671 . . . . 0.0 112.334 -177.414 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.46 ' O ' HD13 ' A' ' 84' ' ' LEU . . . 155.17 -29.25 0.64 Allowed Glycine 0 N--CA 1.439 -1.135 0 C-N-CA 120.392 -0.908 . . . . 0.0 112.461 178.647 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 38.1 mtm 71.93 -53.53 0.69 Allowed 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 123.637 0.775 . . . . 0.0 110.864 -176.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.794 ' HA ' ' HB3' ' A' ' 87' ' ' MET . 0.0 OUTLIER -100.52 3.56 42.91 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 115.087 -0.961 . . . . 0.0 112.235 -177.208 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.486 HH11 ' HB2' ' A' ' 81' ' ' PHE . 7.0 ptm180 -70.66 110.52 5.53 Favored 'General case' 0 CA--C 1.52 -0.209 0 C-N-CA 120.439 -0.504 . . . . 0.0 110.232 -178.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 66.8 mmtt 70.49 8.81 6.74 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 114.785 -1.098 . . . . 0.0 110.236 -174.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.794 ' HB3' ' HA ' ' A' ' 84' ' ' LEU . 51.0 tpp -99.27 -30.25 12.35 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.999 -179.393 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.867 -0.963 . . . . 0.0 111.331 178.951 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 38.0 t80 . . . . . 0 N--CA 1.477 0.921 0 CA-C-O 121.071 0.462 . . . . 0.0 110.189 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.418 ' O ' ' HD3' ' A' ' 4' ' ' PRO . 4.5 pp -148.49 145.79 28.09 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 177.128 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -75.91 110.75 11.77 Favored Pre-proline 0 C--N 1.321 -0.646 0 N-CA-C 110.164 -0.31 . . . . 0.0 110.164 176.466 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.841 ' HB2' ' HB ' ' A' ' 7' ' ' THR . 21.6 Cg_exo -64.6 138.77 60.74 Favored 'Trans proline' 0 CA--C 1.53 0.302 0 C-N-CA 122.989 2.46 . . . . 0.0 112.441 -177.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.442 ' HA ' ' CE1' ' A' ' 46' ' ' HIS . 50.4 Cg_exo -54.7 121.87 10.58 Favored 'Trans proline' 0 C--O 1.235 0.332 0 C-N-CA 123.244 2.629 . . . . 0.0 112.577 179.61 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.6 m 69.79 4.29 4.68 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.177 178.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.841 ' HB ' ' HB2' ' A' ' 4' ' ' PRO . 3.0 m -122.52 35.64 4.83 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 122.152 0.977 . . . . 0.0 108.532 177.22 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.56 118.69 15.78 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 114.238 -1.346 . . . . 0.0 109.558 -177.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 36.4 t -131.14 74.76 1.61 Allowed 'General case' 0 C--N 1.31 -1.147 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -179.481 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 63.7 m -88.42 123.33 32.86 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 114.15 -1.386 . . . . 0.0 111.627 -171.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 15.7 p -99.43 10.76 40.78 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.9 0.857 . . . . 0.0 108.69 169.453 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.427 HE21 ' HB2' ' A' ' 12' ' ' GLN . 0.0 OUTLIER -120.6 126.66 50.86 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 114.605 -1.179 . . . . 0.0 109.142 -178.839 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.482 HD13 ' HB2' ' A' ' 55' ' ' HIS . 87.0 mt -111.73 110.84 21.42 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 120.894 0.378 . . . . 0.0 110.678 179.186 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.672 ' CE2' ' HB2' ' A' ' 16' ' ' LYS . 27.9 t80 -65.95 -54.0 31.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.126 -178.541 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 50.0 mtp180 71.86 -13.45 0.58 Allowed 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 171.286 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.672 ' HB2' ' CE2' ' A' ' 14' ' ' TYR . 46.2 mmtm -72.33 145.91 88.63 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-O 120.529 0.204 . . . . 0.0 110.529 179.177 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.534 ' HA ' ' HB3' ' A' ' 60' ' ' SER . 19.4 Cg_exo -65.92 114.0 2.8 Favored 'Trans proline' 0 N--CA 1.461 -0.396 0 C-N-CA 122.606 2.204 . . . . 0.0 111.127 175.102 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.777 HD12 HD12 ' A' ' 45' ' ' LEU . 71.7 mt -75.56 146.34 40.53 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.085 0.469 . . . . 0.0 110.967 -178.254 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.647 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 16.6 m -78.11 138.51 38.77 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.967 -178.118 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.633 ' OD1' ' HE3' ' A' ' 71' ' ' LYS . 29.0 t70 -59.05 -33.07 70.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.509 -176.271 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.431 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 97.2 mttt -58.87 -47.09 86.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.157 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.647 ' HG ' ' O ' ' A' ' 19' ' ' SER . 4.5 pp -74.84 -27.95 60.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.691 0.282 . . . . 0.0 110.548 177.614 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' A' ' 19' ' ' SER . 60.9 mt -63.46 -48.04 79.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.771 -177.155 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.679 ' HB3' ' HD3' ' A' ' 71' ' ' LYS . 16.3 ptm180 -55.14 -21.24 12.55 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 120.927 0.394 . . . . 0.0 111.924 179.588 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.433 ' HE3' ' HA ' ' A' ' 22' ' ' LEU . 48.8 mtmt -93.64 10.98 30.52 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.113 0.482 . . . . 0.0 111.582 -178.436 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.638 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 6.4 t -74.17 129.67 36.36 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.869 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 171.682 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.556 HD13 ' HA ' ' A' ' 48' ' ' ALA . 19.9 pt -94.34 -30.68 4.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.242 -175.294 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 72.8 mm-40 -152.94 157.02 40.0 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.25 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 40.4 t -116.59 120.07 63.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 174.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.466 ' HG3' ' HB ' ' A' ' 44' ' ' VAL . 3.4 pt-20 -107.42 131.94 53.73 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.231 0.538 . . . . 0.0 110.962 -175.345 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 55.0 tp -102.18 116.24 32.25 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.552 -178.291 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.401 ' HB3' ' H ' ' A' ' 42' ' ' ALA . 18.4 tt0 -87.38 110.88 20.57 Favored 'General case' 0 C--N 1.314 -0.975 0 N-CA-C 108.183 -1.044 . . . . 0.0 108.183 173.776 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.496 ' OE1' ' HA3' ' A' ' 36' ' ' GLY . 80.1 mt-10 -67.31 164.34 18.66 Favored 'General case' 0 C--N 1.318 -0.766 0 C-N-CA 121.061 -0.256 . . . . 0.0 110.355 -177.513 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.31 -11.38 60.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.809 0.337 . . . . 0.0 111.55 -172.162 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.499 ' HA ' ' HA ' ' A' ' 39' ' ' HIS . 14.9 t70 -175.62 25.08 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.25 -1.018 . . . . 0.0 108.25 -177.245 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.496 ' HA3' ' OE1' ' A' ' 33' ' ' GLU . . . -117.18 95.05 0.65 Allowed Glycine 0 N--CA 1.446 -0.689 0 CA-C-N 114.978 -1.01 . . . . 0.0 111.156 -177.53 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 36.7 t70 99.95 -38.35 0.01 OUTLIER 'General case' 0 CA--C 1.506 -0.747 0 C-N-CA 125.815 1.646 . . . . 0.0 107.022 -175.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 74.1 m -153.61 158.32 40.97 Favored 'General case' 0 N--CA 1.442 -0.862 0 CA-C-N 113.687 -1.597 . . . . 0.0 109.46 173.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.499 ' HA ' ' HA ' ' A' ' 35' ' ' ASP . 13.1 p-80 -79.06 164.01 24.68 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 171.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.406 ' HB3' ' O ' ' A' ' 39' ' ' HIS . 2.1 tm? 75.03 105.31 0.07 Allowed 'General case' 0 N--CA 1.467 0.382 0 O-C-N 123.951 0.782 . . . . 0.0 110.17 179.134 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -75.54 132.61 40.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.69 -178.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.565 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -144.63 137.26 26.55 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.248 -178.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.652 ' HB3' ' HG ' ' A' ' 61' ' ' LEU . 4.8 m-85 -94.02 104.19 16.24 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 171.218 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.466 ' HB ' ' HG3' ' A' ' 30' ' ' GLU . 60.6 t -106.68 128.12 61.61 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-O 121.278 0.561 . . . . 0.0 111.065 -172.272 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.777 HD12 HD12 ' A' ' 18' ' ' LEU . 66.8 mt -95.1 123.57 38.67 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.291 -177.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.442 ' CE1' ' HA ' ' A' ' 5' ' ' PRO . 5.0 t60 -103.34 99.25 9.09 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.575 -173.791 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.638 ' HA ' ' HA ' ' A' ' 26' ' ' VAL . 6.8 mp -76.48 164.87 25.55 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 173.222 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.556 ' HA ' HD13 ' A' ' 27' ' ' ILE . . . -64.03 -14.21 52.55 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.794 0.331 . . . . 0.0 111.761 -178.143 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -108.26 -34.74 6.73 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.555 -176.434 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' A' ' 50' ' ' ARG . 0.0 OUTLIER -166.98 165.58 15.79 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.72 0.295 . . . . 0.0 111.517 -176.942 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 67.4 m -98.25 145.32 26.76 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 178.435 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.505 HG21 HD21 ' A' ' 18' ' ' LEU . 67.6 mt -117.52 125.97 74.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 173.303 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.463 ' HA ' HG22 ' A' ' 44' ' ' VAL . 6.2 m -100.64 120.96 40.83 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.311 0.577 . . . . 0.0 110.376 -170.034 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 59.3 mt -124.25 139.38 50.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.396 -173.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.504 ' O ' ' HB2' ' A' ' 58' ' ' ASN . 50.6 t-80 -74.19 135.94 76.12 Favored Pre-proline 0 C--N 1.325 -0.46 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 173.469 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.565 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 68.5 Cg_exo -53.65 168.16 0.8 Allowed 'Trans proline' 0 CA--C 1.531 0.326 0 C-N-CA 122.937 2.424 . . . . 0.0 112.602 177.034 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.407 ' HB2' ' O ' ' A' ' 56' ' ' PRO . 31.1 mm-40 69.81 -1.13 2.43 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 122.851 0.461 . . . . 0.0 111.711 -177.427 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.504 ' HB2' ' O ' ' A' ' 55' ' ' HIS . 3.6 t30 -80.31 127.34 76.62 Favored Pre-proline 0 C--N 1.329 -0.323 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_endo -49.81 -33.61 33.38 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 123.712 2.941 . . . . 0.0 112.882 -176.086 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.534 ' HB3' ' HA ' ' A' ' 17' ' ' PRO . 49.4 p -57.85 -48.48 79.66 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.453 -179.075 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.652 ' HG ' ' HB3' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -70.2 -41.65 73.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.028 -176.938 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 35.6 t -60.99 -48.97 79.38 Favored 'General case' 0 C--O 1.24 0.554 0 CA-C-O 121.231 0.539 . . . . 0.0 110.667 179.405 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -63.93 -30.81 71.86 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.24 177.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.499 ' CZ3' ' HB3' ' A' ' 23' ' ' LEU . 18.6 t-105 -70.42 -32.88 70.67 Favored 'General case' 0 C--O 1.219 -0.516 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.932 178.239 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.467 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 7.1 m-85 -54.85 -45.37 74.53 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.13 0.491 . . . . 0.0 110.425 174.593 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.442 ' OE1' ' HD2' ' A' ' 85' ' ' ARG . 5.9 mm-40 -71.44 -46.08 60.97 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.578 0.704 . . . . 0.0 111.064 177.754 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -67.7 -32.88 73.82 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.923 -176.204 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.467 ' HG2' ' O ' ' A' ' 65' ' ' PHE . 2.8 pt20 -70.43 -29.33 65.89 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 179.104 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -63.57 -27.26 69.13 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.063 0.458 . . . . 0.0 110.22 177.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -108.42 15.09 24.23 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 179.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.679 ' HD3' ' HB3' ' A' ' 24' ' ' ARG . 54.4 mttm -136.4 -159.9 1.0 Allowed 'General case' 0 N--CA 1.467 0.38 0 O-C-N 122.37 -0.206 . . . . 0.0 110.838 177.415 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.48 HD11 ' CZ2' ' A' ' 64' ' ' TRP . 7.3 mp 57.13 -83.47 0.02 OUTLIER 'General case' 0 C--N 1.343 0.298 0 O-C-N 123.522 0.514 . . . . 0.0 111.645 -174.303 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.445 ' HB3' ' OG1' ' A' ' 75' ' ' THR . 59.2 t-80 -172.35 -5.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.582 -177.693 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.424 ' H ' ' H ' ' A' ' 73' ' ' HIS . . . 97.36 -8.72 64.65 Favored Glycine 0 N--CA 1.448 -0.561 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 -170.122 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.445 ' OG1' ' HB3' ' A' ' 73' ' ' HIS . 0.6 OUTLIER -78.84 107.07 11.29 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.132 -0.534 . . . . 0.0 111.129 178.847 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 80.3 mt -132.74 147.55 65.96 Favored Pre-proline 0 C--N 1.32 -0.695 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -83.29 179.65 4.92 Favored 'Trans proline' 0 N--CA 1.454 -0.814 0 C-N-CA 122.565 2.176 . . . . 0.0 111.529 178.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.455 ' HA ' ' HD2' ' A' ' 78' ' ' LYS . 36.4 tptt -88.32 60.72 5.85 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.633 0.73 . . . . 0.0 109.353 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.464 HD23 ' H ' ' A' ' 79' ' ' LEU . 2.4 pt? -87.77 19.19 3.59 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.909 -1.041 . . . . 0.0 110.944 -178.485 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 65.0 m-20 58.37 68.17 0.86 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.877 -1.056 . . . . 0.0 110.817 -177.466 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 15.0 p90 -84.06 20.55 1.53 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.938 -179.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -131.88 47.83 0.99 Allowed Glycine 0 N--CA 1.445 -0.745 0 C-N-CA 121.04 -0.6 . . . . 0.0 111.752 178.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.444 ' HG3' ' HG ' ' A' ' 84' ' ' LEU . 27.4 ptt? -144.34 4.43 1.21 Allowed 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.5 0.185 . . . . 0.0 111.5 178.546 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.444 ' HG ' ' HG3' ' A' ' 83' ' ' MET . 0.2 OUTLIER -161.76 10.04 0.08 Allowed 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 113.522 0.934 . . . . 0.0 113.522 -176.273 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.463 ' HG2' ' HB3' ' A' ' 65' ' ' PHE . 31.6 mtm180 -92.62 111.26 22.8 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.006 -0.677 . . . . 0.0 110.825 -174.61 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.422 ' HE3' ' HB2' ' A' ' 86' ' ' LYS . 27.9 ttmt 57.5 26.81 13.14 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 122.056 0.931 . . . . 0.0 108.738 -172.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 63.06 75.69 0.39 Allowed 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 113.795 -1.548 . . . . 0.0 109.628 -172.39 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.041 0 CA-C-N 114.287 -1.324 . . . . 0.0 110.527 -178.754 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 83.6 t80 . . . . . 0 N--CA 1.477 0.908 0 CA-C-O 120.941 0.401 . . . . 0.0 110.206 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.9 pp -130.27 144.4 51.35 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 174.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.516 ' HB2' ' O ' ' A' ' 51' ' ' SER . 3.5 mm? -66.29 114.67 17.98 Favored Pre-proline 0 N--CA 1.447 -0.602 0 CA-C-O 120.815 0.34 . . . . 0.0 110.517 178.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.862 ' HB2' ' HB ' ' A' ' 7' ' ' THR . 32.0 Cg_exo -57.7 131.04 41.76 Favored 'Trans proline' 0 N--CA 1.461 -0.441 0 C-N-CA 122.714 2.276 . . . . 0.0 111.491 179.732 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 4' ' ' PRO . 74.8 Cg_exo -50.24 114.36 1.39 Allowed 'Trans proline' 0 C--N 1.343 0.263 0 C-N-CA 123.171 2.581 . . . . 0.0 113.047 -176.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.1 m 68.34 5.67 4.88 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.506 -0.77 . . . . 0.0 112.213 176.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.862 ' HB ' ' HB2' ' A' ' 4' ' ' PRO . 27.2 m -95.31 87.8 4.94 Favored 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 172.186 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.489 ' O ' ' HG3' ' A' ' 32' ' ' GLN . . . -79.24 86.6 5.0 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.905 -169.591 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.478 ' HA ' ' OE1' ' A' ' 32' ' ' GLN . 38.5 t -142.84 111.51 6.32 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 173.41 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.7 t -112.69 118.18 34.31 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.916 -173.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.5 t -113.53 11.51 18.36 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.091 176.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -163.58 119.59 1.7 Allowed 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.347 179.199 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.478 HD23 ' SG ' ' A' ' 53' ' ' CYS . 88.6 mt -86.47 140.43 29.96 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.486 -179.443 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.411 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 51.9 t80 -70.15 -38.45 75.48 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 175.309 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.411 ' HB2' ' O ' ' A' ' 14' ' ' TYR . 44.5 mtm180 74.25 -51.21 0.69 Allowed 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 115.319 -0.855 . . . . 0.0 112.878 174.002 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -67.99 148.72 98.38 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-O 120.699 0.285 . . . . 0.0 111.228 179.077 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -63.9 125.87 16.21 Favored 'Trans proline' 0 C--O 1.235 0.361 0 C-N-CA 122.684 2.256 . . . . 0.0 111.727 175.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.738 HD12 HD12 ' A' ' 45' ' ' LEU . 56.4 mt -65.26 135.21 55.1 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.071 0.462 . . . . 0.0 110.706 179.527 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.2 m -68.81 150.64 47.61 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.099 -177.561 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.448 ' HA ' ' HB2' ' A' ' 23' ' ' LEU . 7.9 t70 -56.49 -30.11 62.58 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.256 0.55 . . . . 0.0 110.49 -178.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.461 ' O ' ' HE2' ' A' ' 25' ' ' LYS . 67.4 mmtt -55.1 -46.61 75.54 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.088 -0.96 . . . . 0.0 110.653 178.027 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.94 -38.29 66.86 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 -179.724 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.448 ' HB2' ' HA ' ' A' ' 20' ' ' ASP . 5.4 mp -57.67 -45.82 85.07 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.747 -1.115 . . . . 0.0 112.176 -174.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.1 ptp180 -70.28 -4.97 24.47 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.192 0.52 . . . . 0.0 111.328 -179.318 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.461 ' HE2' ' O ' ' A' ' 21' ' ' LYS . 53.7 mtmt -111.84 2.15 16.92 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.945 -178.459 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.741 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 45.6 t -76.76 150.76 5.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 108.693 -0.855 . . . . 0.0 108.693 174.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 14.0 pt -127.96 -19.68 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 C-N-CA 121.015 -0.274 . . . . 0.0 111.64 179.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.668 ' HB2' ' HB3' ' A' ' 46' ' ' HIS . 58.6 mm-40 -148.36 155.09 40.82 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.043 0.449 . . . . 0.0 112.0 -177.63 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 45.7 t -114.16 118.88 59.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 108.72 -0.845 . . . . 0.0 108.72 172.585 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.441 ' CD ' ' HB2' ' A' ' 46' ' ' HIS . 3.5 mt-10 -113.2 155.17 25.5 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.95 0.405 . . . . 0.0 110.244 -174.099 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 62.0 tp -128.51 122.08 30.34 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.584 -179.087 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.52 ' O ' ' HA ' ' A' ' 41' ' ' GLN . 7.9 tt0 -76.79 104.02 7.06 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 173.382 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.405 ' C ' ' H ' ' A' ' 35' ' ' ASP . 29.8 mt-10 -69.7 133.32 47.39 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 176.337 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.568 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . . . -72.84 29.96 0.06 Allowed 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 113.064 0.764 . . . . 0.0 113.064 -169.112 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.405 ' H ' ' C ' ' A' ' 33' ' ' GLU . 34.0 t70 -177.82 -29.19 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.052 178.028 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -60.42 -28.58 67.53 Favored Glycine 0 C--N 1.332 0.359 0 CA-C-N 115.595 -0.73 . . . . 0.0 112.87 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -126.95 -65.03 0.98 Allowed 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 176.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 52.5 m -125.38 -173.87 2.92 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.175 177.392 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 73.3 m-70 -78.32 -24.5 46.59 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 -167.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.41 ' O ' ' HA ' ' A' ' 34' ' ' ALA . 1.1 pt? -110.04 172.7 6.71 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.446 -0.501 . . . . 0.0 111.623 -175.07 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.568 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 7.3 tt0 -114.38 141.75 47.23 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.326 179.02 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.733 ' HA ' ' HG3' ' A' ' 56' ' ' PRO . . . -156.7 150.05 24.31 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.744 178.479 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.465 ' CB ' ' HG ' ' A' ' 61' ' ' LEU . 10.0 m-85 -93.23 118.67 31.52 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 173.461 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 61.3 t -117.83 129.86 73.59 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.138 -172.477 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.738 HD12 HD12 ' A' ' 18' ' ' LEU . 51.2 mt -98.39 127.35 44.29 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.078 0.466 . . . . 0.0 111.072 -178.318 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.668 ' HB3' ' HB2' ' A' ' 28' ' ' GLN . 4.7 t60 -98.27 106.53 18.83 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.868 -177.209 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.741 ' HA ' ' HA ' ' A' ' 26' ' ' VAL . 6.6 mp -92.95 170.6 9.54 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 178.268 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.94 7.23 0.97 Allowed 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 -175.497 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -121.2 -52.99 2.05 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 175.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.98 178.27 9.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.296 -0.866 . . . . 0.0 110.376 -177.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.516 ' O ' ' HB2' ' A' ' 3' ' ' LEU . 61.5 m -98.11 151.6 20.22 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.036 0.446 . . . . 0.0 111.1 -179.552 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 63.7 mt -124.17 144.96 32.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 176.395 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.478 ' SG ' HD23 ' A' ' 13' ' ' LEU . 40.8 t -101.91 129.69 48.23 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.277 0.56 . . . . 0.0 111.484 -174.519 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -120.93 143.04 34.43 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.646 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.742 -178.194 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 42.8 t-80 -56.9 122.83 55.34 Favored Pre-proline 0 C--O 1.224 -0.278 0 CA-C-N 115.668 -0.697 . . . . 0.0 109.457 173.439 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.733 ' HG3' ' HA ' ' A' ' 42' ' ' ALA . 87.2 Cg_exo -44.02 -52.88 5.13 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 123.072 2.514 . . . . 0.0 113.49 -173.684 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -86.94 75.57 9.54 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.356 0.598 . . . . 0.0 110.242 174.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 47.2 t-20 -128.59 125.51 23.14 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.36 177.592 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -48.57 -36.02 30.67 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 123.07 2.513 . . . . 0.0 112.749 177.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.54 ' HA ' ' OE1' ' A' ' 63' ' ' GLN . 5.7 m -62.68 -32.71 73.84 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.449 -177.246 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.465 ' HG ' ' CB ' ' A' ' 43' ' ' PHE . 0.5 OUTLIER -77.31 -47.39 20.14 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 -178.867 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.0 m -61.63 -49.86 74.88 Favored 'General case' 0 C--O 1.246 0.92 0 CA-C-O 121.52 0.676 . . . . 0.0 110.678 178.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.54 ' OE1' ' HA ' ' A' ' 60' ' ' SER . 2.9 pt20 -63.59 -27.63 69.38 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.772 179.218 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 17.8 t-105 -64.3 -36.76 85.14 Favored 'General case' 0 C--O 1.219 -0.55 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.619 178.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.405 ' CE2' HD21 ' A' ' 84' ' ' LEU . 40.0 m-85 -56.68 -41.66 77.7 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.49 -0.484 . . . . 0.0 109.96 175.311 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.44 ' O ' ' HB3' ' A' ' 69' ' ' GLU . 6.5 mm-40 -71.51 -47.82 52.87 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-O 121.777 0.798 . . . . 0.0 111.162 177.434 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.436 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 13.7 m170 -71.97 -30.47 65.31 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.312 -173.432 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -68.09 -37.72 81.53 Favored 'General case' 0 CA--C 1.517 -0.303 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 175.152 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.44 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 13.7 tp10 -52.41 -35.52 52.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.092 178.196 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.429 HH11 ' HD3' ' A' ' 70' ' ' ARG . 15.1 ptt180 -114.19 32.11 6.13 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 120.571 -0.452 . . . . 0.0 111.881 176.401 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.506 ' HG2' ' H ' ' A' ' 72' ' ' LEU . 25.9 ttmt -142.95 -167.93 2.66 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 174.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.506 ' H ' ' HG2' ' A' ' 71' ' ' LYS . 9.6 mp 52.96 -91.61 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 121.307 0.575 . . . . 0.0 111.242 -172.254 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 27.6 t-80 -160.19 11.21 0.11 Allowed 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 177.067 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 67.75 64.61 3.09 Favored Glycine 0 N--CA 1.446 -0.634 0 N-CA-C 110.286 -1.126 . . . . 0.0 110.286 -167.422 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.3 p -137.84 106.77 5.97 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.572 0.225 . . . . 0.0 110.999 -174.053 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.586 HD12 ' HD2' ' A' ' 77' ' ' PRO . 19.2 tp -147.06 138.14 12.97 Favored Pre-proline 0 N--CA 1.448 -0.536 0 CA-C-O 120.991 0.424 . . . . 0.0 109.984 -178.074 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.586 ' HD2' HD12 ' A' ' 76' ' ' LEU . 84.6 Cg_endo -77.07 162.64 31.6 Favored 'Trans proline' 0 C--N 1.329 -0.447 0 C-N-CA 123.554 2.836 . . . . 0.0 112.251 179.329 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.447 ' HB3' ' HE2' ' A' ' 78' ' ' LYS . 33.9 mtpt -84.93 67.36 10.14 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.212 -176.024 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.486 ' HB2' ' CE2' ' A' ' 81' ' ' PHE . 0.8 OUTLIER -90.82 19.85 5.21 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.094 0.473 . . . . 0.0 110.216 176.388 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 57.61 35.24 25.51 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.987 -1.006 . . . . 0.0 110.385 -175.172 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.486 ' CE2' ' HB2' ' A' ' 79' ' ' LEU . 7.8 m-85 -65.56 -11.32 42.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.303 -176.419 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.439 ' HA2' ' HG3' ' A' ' 85' ' ' ARG . . . -74.93 -2.67 65.93 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.332 177.774 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 24.7 ptt? -64.6 -9.96 23.04 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -177.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.492 ' HA ' ' HB3' ' A' ' 87' ' ' MET . 1.5 pt? -149.5 8.4 0.69 Allowed 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.469 -0.492 . . . . 0.0 112.286 -179.321 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.465 ' HG3' ' O ' ' A' ' 81' ' ' PHE . 60.7 mtm180 -71.5 118.2 14.02 Favored 'General case' 0 CA--C 1.515 -0.381 0 C-N-CA 120.318 -0.553 . . . . 0.0 110.1 -178.747 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.409 ' HD2' ' HA ' ' A' ' 86' ' ' LYS . 21.6 tptm 70.14 2.3 3.9 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.791 0.805 . . . . 0.0 109.874 -177.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.492 ' HB3' ' HA ' ' A' ' 84' ' ' LEU . 46.6 ttm -105.95 -14.29 15.24 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.201 -0.909 . . . . 0.0 109.777 -178.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.956 0 CA-C-O 118.963 -0.91 . . . . 0.0 110.877 178.915 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 93.3 t80 . . . . . 0 N--CA 1.481 1.111 0 CA-C-O 120.577 0.227 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 51.4 tp -60.21 134.18 56.81 Favored 'General case' 0 CA--C 1.518 -0.266 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.578 ' HG ' ' SG ' ' A' ' 10' ' ' CYS . 3.8 mm? -70.21 115.58 35.85 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.986 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.594 ' HB2' ' HB ' ' A' ' 7' ' ' THR . 49.0 Cg_exo -55.01 138.81 79.27 Favored 'Trans proline' 0 N--CA 1.463 -0.308 0 C-N-CA 123.136 2.558 . . . . 0.0 112.152 -177.782 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.523 ' HA ' ' HE1' ' A' ' 46' ' ' HIS . 51.0 Cg_exo -54.02 116.86 3.32 Favored 'Trans proline' 0 C--O 1.234 0.305 0 C-N-CA 122.791 2.328 . . . . 0.0 111.995 179.582 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.402 ' HB2' ' O ' ' A' ' 5' ' ' PRO . 54.6 m 76.36 17.41 1.98 Allowed 'General case' 0 N--CA 1.465 0.291 0 O-C-N 123.974 0.796 . . . . 0.0 111.211 178.634 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.594 ' HB ' ' HB2' ' A' ' 4' ' ' PRO . 11.7 m -128.79 82.36 2.08 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 173.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -93.75 105.0 17.06 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.81 -0.632 . . . . 0.0 112.293 -171.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.429 ' HA ' ' HB2' ' A' ' 38' ' ' CYS . 49.3 t -143.9 74.29 1.42 Allowed 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 170.724 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.578 ' SG ' ' HG ' ' A' ' 3' ' ' LEU . 56.2 m -84.95 118.61 24.65 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.872 -176.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.7 p -81.29 -40.71 23.25 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-O 121.334 0.587 . . . . 0.0 109.938 172.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -90.29 156.85 17.99 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.667 175.044 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.503 HD13 ' HB3' ' A' ' 55' ' ' HIS . 94.8 mt -136.02 151.97 50.43 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.439 179.659 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -76.95 -47.75 20.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.924 -175.008 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 72.3 mtt180 67.71 6.7 5.2 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 112.907 0.706 . . . . 0.0 112.907 175.382 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt -118.23 151.07 48.81 Favored Pre-proline 0 C--N 1.322 -0.617 0 C-N-CA 120.985 -0.286 . . . . 0.0 110.898 -178.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_exo -65.78 125.45 14.3 Favored 'Trans proline' 0 C--O 1.236 0.395 0 C-N-CA 122.998 2.465 . . . . 0.0 111.847 175.562 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.635 HD21 HG21 ' A' ' 52' ' ' ILE . 60.1 mt -77.54 141.47 39.56 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.279 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.558 ' HB2' ' HG ' ' A' ' 22' ' ' LEU . 5.1 m -70.31 146.18 50.73 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.607 -178.293 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -56.91 -32.92 66.42 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.422 0.629 . . . . 0.0 110.956 -177.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -67.09 -38.56 85.91 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.923 -1.035 . . . . 0.0 111.381 -177.059 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.558 ' HG ' ' HB2' ' A' ' 19' ' ' SER . 0.7 OUTLIER -74.27 -37.07 63.81 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 175.31 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.529 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 21.4 mt -64.57 -40.53 95.72 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.139 -1.391 . . . . 0.0 112.386 -174.481 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -66.26 0.1 2.26 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 177.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -118.11 14.18 13.97 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.123 0.487 . . . . 0.0 110.874 -179.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.502 ' O ' ' HG ' ' A' ' 72' ' ' LEU . 20.7 t -77.56 136.34 24.49 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.775 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.97 176.135 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.457 HD13 ' HA ' ' A' ' 48' ' ' ALA . 29.4 pt -111.86 -25.11 3.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.419 -177.282 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.62 ' HB2' ' HB3' ' A' ' 46' ' ' HIS . 77.5 mm-40 -146.58 149.19 33.09 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.932 0.396 . . . . 0.0 111.244 -175.672 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.51 HG11 HE22 ' A' ' 68' ' ' GLN . 4.0 p -124.25 116.43 47.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 172.025 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -118.98 145.05 46.14 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.294 0.569 . . . . 0.0 111.844 -169.563 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 50.3 tp -101.41 114.46 28.48 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.435 177.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.427 ' O ' ' HA ' ' A' ' 41' ' ' GLN . 38.5 tt0 -82.88 105.41 13.87 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.37 173.518 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -71.18 147.94 47.81 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.957 0.408 . . . . 0.0 111.16 -179.497 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.472 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . . . -76.58 0.05 21.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.493 178.443 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -153.25 112.02 3.72 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.397 -0.82 . . . . 0.0 108.845 177.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 122.79 -78.34 0.35 Allowed Glycine 0 N--CA 1.446 -0.675 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.345 -175.412 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -66.88 -41.04 87.91 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-O 121.219 0.533 . . . . 0.0 110.219 177.404 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.429 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 5.9 t -156.37 -169.66 3.1 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.751 -175.094 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -98.88 -21.07 16.49 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.041 0.448 . . . . 0.0 110.688 177.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -119.17 161.33 20.53 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 177.041 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.472 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 35.0 tt0 -101.32 138.61 38.11 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.841 -175.637 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.566 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -153.83 143.14 21.48 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 178.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -93.64 106.45 18.42 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 170.198 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 73.8 t -104.74 135.8 41.11 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.95 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.728 -171.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.551 HD12 HD12 ' A' ' 18' ' ' LEU . 81.6 mt -103.31 130.77 50.66 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.165 -176.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.62 ' HB3' ' HB2' ' A' ' 28' ' ' GLN . 3.5 t60 -112.1 116.81 31.11 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.171 -169.488 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.5 mp -99.35 169.86 9.05 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 173.403 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.457 ' HA ' HD13 ' A' ' 27' ' ' ILE . . . -57.25 -24.18 53.06 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.748 0.648 . . . . 0.0 112.748 -175.558 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.71 -0.89 2.55 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.684 -177.039 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 20.7 mtp180 -139.11 148.13 42.85 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.136 -171.069 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 12.9 m -126.94 123.5 37.31 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 175.495 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.635 HG21 HD21 ' A' ' 18' ' ' LEU . 68.3 mt -114.09 127.07 71.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-O 120.792 0.33 . . . . 0.0 110.305 -176.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 19.5 m -101.46 124.46 47.16 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.073 0.464 . . . . 0.0 110.867 -170.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 56.8 mt -131.94 134.1 60.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.99 -175.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.503 ' HB3' HD13 ' A' ' 13' ' ' LEU . 1.2 p80 -67.49 138.06 93.69 Favored Pre-proline 0 N--CA 1.462 0.14 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 172.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.566 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 63.1 Cg_exo -51.28 -34.24 48.59 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 123.228 2.619 . . . . 0.0 113.077 -174.709 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 19.7 mp0 -84.35 57.01 4.03 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.483 -178.205 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -136.87 129.16 17.13 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.492 -177.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -51.43 -37.99 62.67 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 123.263 2.642 . . . . 0.0 113.334 -177.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.2 t -58.3 -37.31 74.79 Favored 'General case' 0 C--O 1.222 -0.368 0 CA-C-N 116.667 -0.242 . . . . 0.0 111.121 -178.524 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.406 HD22 ' HA ' ' A' ' 61' ' ' LEU . 0.4 OUTLIER -76.65 -45.97 27.68 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 -174.229 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 24.6 t -62.82 -48.52 78.72 Favored 'General case' 0 C--O 1.243 0.735 0 CA-C-O 121.239 0.542 . . . . 0.0 110.51 178.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -61.41 -31.61 71.54 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.604 176.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.685 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 12.4 t-105 -70.77 -36.41 73.05 Favored 'General case' 0 C--O 1.216 -0.664 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.468 -179.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.2 m-30 -52.23 -43.42 64.28 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.08 0.466 . . . . 0.0 110.259 176.259 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -64.6 -56.32 14.71 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-O 121.549 0.69 . . . . 0.0 111.065 174.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.527 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 32.8 m170 -69.91 -32.12 70.27 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.451 -0.795 . . . . 0.0 112.696 -169.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.685 ' HG2' ' O ' ' A' ' 64' ' ' TRP . 11.5 pt20 -73.36 -35.39 65.95 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 117.898 0.317 . . . . 0.0 110.376 178.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.401 ' CD ' HH12 ' A' ' 85' ' ' ARG . 44.5 tt0 -58.15 -32.86 68.58 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.383 0.611 . . . . 0.0 110.114 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.407 ' H ' ' HG2' ' A' ' 70' ' ' ARG . 0.8 OUTLIER -114.82 35.38 4.31 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.848 179.001 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.625 ' HB3' HD13 ' A' ' 72' ' ' LEU . 20.8 ttmt -147.26 -164.92 2.11 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 119.158 -0.449 . . . . 0.0 109.835 176.237 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.625 HD13 ' HB3' ' A' ' 71' ' ' LYS . 0.0 OUTLIER 22.03 60.51 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 114.972 1.471 . . . . 0.0 114.972 -172.274 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 44.8 m80 70.71 -12.91 0.51 Allowed 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 173.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 79.46 21.78 66.2 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.717 -0.754 . . . . 0.0 111.467 -173.34 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 27.6 p -97.58 100.95 12.37 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.789 -0.206 . . . . 0.0 110.723 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.413 HD11 ' HB2' ' A' ' 68' ' ' GLN . 48.0 mt -153.28 157.7 32.86 Favored Pre-proline 0 N--CA 1.444 -0.752 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 -177.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.726 ' HB2' HD12 ' A' ' 79' ' ' LEU . 68.8 Cg_exo -48.09 132.16 22.57 Favored 'Trans proline' 0 C--N 1.327 -0.584 0 C-N-CA 123.108 2.538 . . . . 0.0 112.405 168.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.1 tmtm? -91.99 66.75 5.06 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.196 0.522 . . . . 0.0 109.789 178.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.726 HD12 ' HB2' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -103.09 10.38 38.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.908 -177.611 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 29.7 m-80 67.4 100.01 0.05 Allowed 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 115.167 -0.924 . . . . 0.0 111.326 -179.552 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -78.17 -14.16 59.57 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.13 0.49 . . . . 0.0 110.471 -177.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -71.38 -5.33 59.36 Favored Glycine 0 N--CA 1.452 -0.268 0 CA-C-N 116.03 -0.532 . . . . 0.0 113.012 -179.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 22.2 ptt? -78.83 -5.06 52.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.94 0.4 . . . . 0.0 110.66 178.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.5 tt -128.07 -37.45 1.89 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.015 179.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.46 ' C ' ' H ' ' A' ' 87' ' ' MET . 83.0 mtm180 -61.85 155.25 23.72 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.827 177.27 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 17.3 mmmt 73.27 -23.17 0.22 Allowed 'General case' 0 N--CA 1.47 0.552 0 O-C-N 123.792 0.682 . . . . 0.0 111.364 -179.354 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.46 ' H ' ' C ' ' A' ' 85' ' ' ARG . 65.5 mtt -87.06 -36.7 18.01 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.125 178.392 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.795 0 CA-C-O 119.122 -0.821 . . . . 0.0 111.343 178.881 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 86.2 t80 . . . . . 0 N--CA 1.478 0.943 0 CA-C-O 120.978 0.418 . . . . 0.0 110.432 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.409 ' O ' ' HD3' ' A' ' 4' ' ' PRO . 3.4 pp -92.03 143.82 26.08 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 175.545 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.438 ' HA ' ' HD3' ' A' ' 4' ' ' PRO . 4.1 mm? -77.91 113.34 31.98 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-O 121.097 0.475 . . . . 0.0 111.296 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.586 ' HB2' ' HB ' ' A' ' 7' ' ' THR . 11.8 Cg_exo -71.17 149.54 58.12 Favored 'Trans proline' 0 N--CA 1.461 -0.435 0 C-N-CA 123.343 2.695 . . . . 0.0 111.796 178.263 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -59.98 122.52 11.54 Favored 'Trans proline' 0 C--O 1.235 0.327 0 C-N-CA 122.54 2.16 . . . . 0.0 111.908 178.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.1 m 66.69 15.89 10.24 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.175 178.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.586 ' HB ' ' HB2' ' A' ' 4' ' ' PRO . 3.1 m -128.42 41.32 3.51 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 175.773 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -92.2 103.45 15.92 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 114.631 -1.168 . . . . 0.0 111.693 -173.641 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.52 ' HB2' ' OD1' ' A' ' 37' ' ' ASP . 38.3 t -123.49 77.76 1.53 Allowed 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 167.305 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 64.7 m -72.68 118.74 15.98 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.844 -1.071 . . . . 0.0 111.294 -172.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.0 p -87.31 -0.39 56.68 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.585 175.035 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -138.14 162.17 34.91 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.316 -0.857 . . . . 0.0 109.801 175.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.52 HD13 ' HB2' ' A' ' 55' ' ' HIS . 43.2 mt -138.52 135.32 34.95 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.686 0.279 . . . . 0.0 110.431 -177.668 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -66.21 -43.44 86.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.527 -176.6 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 81.5 mtm180 73.9 -44.21 0.56 Allowed 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 115.531 -0.759 . . . . 0.0 112.352 174.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.418 ' HA ' ' HD3' ' A' ' 16' ' ' LYS . 35.2 mmtm -71.85 148.48 92.25 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-O 120.699 0.285 . . . . 0.0 111.157 179.679 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -63.61 143.57 87.63 Favored 'Trans proline' 0 C--O 1.236 0.406 0 C-N-CA 122.623 2.216 . . . . 0.0 111.845 177.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.698 ' HB3' HD11 ' A' ' 22' ' ' LEU . 48.0 mt -89.15 148.86 23.43 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.352 -177.81 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.605 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 13.8 m -68.69 133.37 48.33 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.635 179.333 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.53 ' OD1' ' HE3' ' A' ' 71' ' ' LYS . 23.3 t70 -60.41 -28.75 68.5 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.109 0.48 . . . . 0.0 110.973 -176.679 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.63 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 58.3 mttp -66.4 -45.18 80.84 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.184 178.112 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.698 HD11 ' HB3' ' A' ' 18' ' ' LEU . 4.5 pp -73.32 -27.39 61.5 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.023 176.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.618 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 50.2 mt -62.51 -46.55 87.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.028 177.759 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.63 ' HG2' ' O ' ' A' ' 21' ' ' LYS . 13.3 ptm180 -62.55 -12.72 24.34 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 120.977 0.418 . . . . 0.0 111.02 -179.478 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -101.15 9.84 41.53 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.872 179.044 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.695 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 9.5 t -79.99 132.41 31.94 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.862 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 172.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.604 HD13 ' HA ' ' A' ' 48' ' ' ALA . 10.7 pt -97.42 -36.6 6.17 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.36 -176.267 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 75.0 mm-40 -146.28 157.6 43.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.119 0.485 . . . . 0.0 111.328 -178.041 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.537 HG21 HE22 ' A' ' 68' ' ' GLN . 65.7 t -116.09 134.36 59.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 175.569 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.447 ' HG3' ' HB ' ' A' ' 44' ' ' VAL . 9.6 pt-20 -125.78 137.45 53.79 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.384 0.611 . . . . 0.0 111.247 -176.689 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 47.5 tp -97.18 115.27 27.26 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.326 179.112 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.413 ' O ' ' HA ' ' A' ' 41' ' ' GLN . 41.8 tt0 -70.98 104.36 2.95 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 174.234 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -69.91 130.04 41.16 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.651 -176.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.684 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . . . -79.61 23.6 0.41 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.608 -178.092 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -155.94 -59.43 0.1 Allowed 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.992 -0.283 . . . . 0.0 111.604 -178.025 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -61.27 -39.63 97.47 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 121.11 -0.567 . . . . 0.0 113.271 -176.039 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.52 ' OD1' ' HB2' ' A' ' 9' ' ' CYS . 9.9 t0 -110.32 -61.88 1.6 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.38 0.61 . . . . 0.0 110.39 -178.815 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.4 t -112.18 178.03 4.44 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.452 -171.144 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -87.91 -30.76 19.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.137 0.494 . . . . 0.0 110.628 174.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.404 ' HG ' ' NE2' ' A' ' 32' ' ' GLN . 0.7 OUTLIER -111.96 157.37 20.78 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.369 -179.567 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.684 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 35.8 tt0 -99.0 143.42 29.3 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.541 179.536 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.471 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -150.08 148.6 29.19 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.043 177.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.544 ' O ' ' HB ' ' A' ' 54' ' ' ILE . 34.8 m-85 -99.08 106.8 19.06 Favored 'General case' 0 C--N 1.312 -1.042 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 174.672 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.447 ' HB ' ' HG3' ' A' ' 30' ' ' GLU . 60.2 t -106.3 131.04 57.0 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.946 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.81 -171.385 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.657 HD12 HD12 ' A' ' 18' ' ' LEU . 63.4 mt -104.08 130.04 51.77 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.176 -177.399 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -114.32 107.99 16.31 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.234 -171.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.695 ' HA ' ' HA ' ' A' ' 26' ' ' VAL . 6.3 mp -79.15 168.58 19.41 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 174.127 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.604 ' HA ' HD13 ' A' ' 27' ' ' ILE . . . -55.57 -23.02 24.63 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.095 0.474 . . . . 0.0 111.977 179.206 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -138.34 3.84 2.39 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.904 -173.033 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.506 ' HB2' ' HB2' ' A' ' 47' ' ' LEU . 82.5 mtp180 -141.07 157.46 45.28 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.895 0.379 . . . . 0.0 111.718 -172.183 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 12.9 m -134.71 124.2 24.88 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.345 175.509 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.594 HG21 HD21 ' A' ' 18' ' ' LEU . 66.3 mt -125.91 132.69 70.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 110.371 -0.233 . . . . 0.0 110.371 -177.486 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 38.3 m -101.65 121.52 42.17 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.295 0.569 . . . . 0.0 110.622 -174.131 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.544 ' HB ' ' O ' ' A' ' 43' ' ' PHE . 22.8 mt -117.97 133.87 63.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.161 -176.465 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.52 ' HB2' HD13 ' A' ' 13' ' ' LEU . 53.3 t-80 -71.34 135.07 84.46 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.916 174.743 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 59.7 Cg_exo -52.86 159.78 4.73 Favored 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 122.823 2.348 . . . . 0.0 112.071 175.828 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 20.4 mp0 64.86 28.04 12.81 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.418 0.627 . . . . 0.0 111.205 -176.256 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 43.1 t-20 -103.0 124.45 38.47 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.205 174.288 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -48.65 -38.81 37.3 Favored 'Trans proline' 0 N--CA 1.463 -0.293 0 C-N-CA 123.184 2.589 . . . . 0.0 112.995 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 20.1 t -63.41 -29.87 71.09 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.503 0.192 . . . . 0.0 111.18 -176.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.496 ' HG ' ' CB ' ' A' ' 43' ' ' PHE . 1.1 tm? -80.15 -48.65 12.85 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 -179.279 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 21.6 m -63.17 -48.62 77.61 Favored 'General case' 0 C--O 1.241 0.638 0 CA-C-O 121.366 0.603 . . . . 0.0 110.764 179.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -60.39 -28.05 67.92 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.381 176.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.642 ' CZ2' HD21 ' A' ' 72' ' ' LEU . 16.9 t-105 -66.71 -33.95 76.76 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.885 -0.326 . . . . 0.0 111.151 178.505 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -59.77 -39.88 86.35 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.455 -0.498 . . . . 0.0 110.047 175.242 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -74.89 -43.43 54.38 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-O 121.488 0.661 . . . . 0.0 110.623 177.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.48 ' O ' ' HG2' ' A' ' 70' ' ' ARG . 9.0 m170 -65.43 -41.71 93.24 Favored 'General case' 0 C--O 1.223 -0.314 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.532 -178.426 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.537 HE22 HG21 ' A' ' 29' ' ' VAL . 2.6 pt20 -65.26 -34.72 79.03 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 -179.455 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -56.32 -31.32 63.58 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.745 178.453 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.48 ' HG2' ' O ' ' A' ' 67' ' ' HIS . 5.9 ptp180 -103.65 11.9 35.49 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.732 -179.314 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.53 ' HE3' ' OD1' ' A' ' 20' ' ' ASP . 52.7 mttm -137.79 -144.75 0.19 Allowed 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.702 0.287 . . . . 0.0 110.55 179.25 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.642 HD21 ' CZ2' ' A' ' 64' ' ' TRP . 0.2 OUTLIER 62.62 22.83 13.56 Favored 'General case' 0 C--N 1.341 0.229 0 CA-C-N 115.736 -0.666 . . . . 0.0 112.699 174.134 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 78.8 t60 65.54 11.7 7.64 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 121.365 0.602 . . . . 0.0 110.553 174.383 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 91.5 -7.1 80.35 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.096 -177.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 12.3 p -104.79 105.38 15.43 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.7 0.286 . . . . 0.0 110.582 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.421 ' N ' HD22 ' A' ' 76' ' ' LEU . 2.9 mm? -98.66 157.09 34.86 Favored Pre-proline 0 N--CA 1.435 -1.205 0 CA-C-O 121.158 0.504 . . . . 0.0 110.536 -175.696 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.511 ' HD3' HD12 ' A' ' 72' ' ' LEU . 14.4 Cg_exo -43.59 156.85 0.14 Allowed 'Trans proline' 0 C--N 1.325 -0.69 0 C-N-CA 123.963 3.108 . . . . 0.0 112.981 164.37 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -132.77 88.75 2.55 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 173.18 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.2 pp -137.24 22.1 2.99 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.022 -179.457 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 62.15 45.37 7.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.968 -1.015 . . . . 0.0 111.24 175.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 13.0 p90 -75.6 18.43 0.24 Allowed 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 -173.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -72.02 -14.36 76.15 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.583 -179.032 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.72 -16.47 41.59 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.984 0.421 . . . . 0.0 111.067 -176.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.541 ' O ' HD23 ' A' ' 84' ' ' LEU . 5.1 tt -102.03 -29.39 11.8 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.506 -176.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.542 ' O ' ' HB3' ' A' ' 86' ' ' LYS . 6.6 mtm180 -59.89 151.69 25.23 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 178.581 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.542 ' HB3' ' O ' ' A' ' 85' ' ' ARG . 24.5 ttmm 82.76 -26.4 0.13 Allowed 'General case' 0 N--CA 1.47 0.541 0 O-C-N 124.288 0.993 . . . . 0.0 109.124 -165.819 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.413 ' H ' ' C ' ' A' ' 85' ' ' ARG . 22.3 mmt 74.27 16.59 3.39 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 114.966 -1.015 . . . . 0.0 111.201 174.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.499 -1.167 . . . . 0.0 112.115 177.44 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 90.5 t80 . . . . . 0 N--CA 1.477 0.9 0 CA-C-O 121.019 0.437 . . . . 0.0 110.277 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.9 pp -84.99 145.03 27.92 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 174.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -76.7 114.3 37.61 Favored Pre-proline 0 C--N 1.32 -0.686 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 178.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_exo -62.29 133.32 42.86 Favored 'Trans proline' 0 C--O 1.234 0.302 0 C-N-CA 122.703 2.269 . . . . 0.0 111.83 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_endo -56.63 134.83 66.88 Favored 'Trans proline' 0 N--CA 1.462 -0.339 0 C-N-CA 122.793 2.328 . . . . 0.0 111.98 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.9 t 73.09 2.92 4.53 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.379 178.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 28.2 m -103.1 96.52 6.85 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.065 0.459 . . . . 0.0 110.028 178.115 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -82.69 87.1 6.75 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.65 -179.705 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 49.4 t -153.08 87.86 1.29 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.777 177.474 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 97.8 m -86.08 118.79 25.77 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.016 -178.664 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.1 p -91.45 4.72 51.81 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.948 177.429 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -150.66 165.67 32.69 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.541 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.457 HD13 ' HB2' ' A' ' 55' ' ' HIS . 56.9 mt -129.03 149.26 50.92 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.418 -177.789 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.406 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 24.0 t80 -82.21 -39.56 22.94 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.1 178.734 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.406 ' HB2' ' O ' ' A' ' 14' ' ' TYR . 41.6 mtp180 73.55 -46.24 0.63 Allowed 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 112.817 0.673 . . . . 0.0 112.817 175.341 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.412 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 45.2 mtmt -74.21 151.41 87.97 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-O 120.632 0.253 . . . . 0.0 111.486 -177.332 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 16' ' ' LYS . 7.4 Cg_exo -73.15 128.77 13.32 Favored 'Trans proline' 0 N--CA 1.462 -0.382 0 C-N-CA 122.885 2.39 . . . . 0.0 111.791 176.47 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.573 ' HB3' HD11 ' A' ' 22' ' ' LEU . 83.5 mt -74.32 159.82 31.9 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.663 -179.784 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.683 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 20.8 m -85.99 141.66 29.34 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.907 -179.701 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.476 ' OD1' ' HE3' ' A' ' 71' ' ' LYS . 16.6 t70 -60.76 -28.63 68.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.967 -173.595 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 49.7 mmtm -60.81 -42.89 98.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.928 178.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.683 ' HG ' ' O ' ' A' ' 19' ' ' SER . 3.8 pp -76.04 -25.7 55.9 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.842 176.686 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.458 ' HG ' ' CE3' ' A' ' 64' ' ' TRP . 5.7 mp -59.66 -42.97 94.04 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.539 178.596 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.3 ptp180 -68.09 3.96 1.41 Allowed 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 176.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.581 ' HD3' ' HA ' ' A' ' 22' ' ' LEU . 29.1 mtpp -106.88 -21.7 12.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.412 178.292 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.409 HG22 ' HG ' ' A' ' 47' ' ' LEU . 38.6 t -61.62 145.51 12.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.721 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.409 HG12 ' O ' ' A' ' 46' ' ' HIS . 36.6 pt -109.39 -29.46 2.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 C-N-CA 120.755 -0.378 . . . . 0.0 111.625 -177.438 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 70.2 mm-40 -148.53 151.05 34.45 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.143 0.496 . . . . 0.0 112.063 -174.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.6 p -111.46 124.25 68.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.253 -0.885 . . . . 0.0 108.705 171.38 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -122.67 149.95 43.35 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.826 0.346 . . . . 0.0 111.466 -168.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.557 HD13 ' CZ ' ' A' ' 43' ' ' PHE . 30.7 tp -120.87 114.48 21.64 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.174 0.512 . . . . 0.0 111.227 -177.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.447 ' O ' ' HA ' ' A' ' 41' ' ' GLN . 47.3 tt0 -89.28 107.94 19.34 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.475 -0.784 . . . . 0.0 108.981 172.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -75.0 150.18 39.06 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 -178.622 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.659 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . . . -75.67 23.75 0.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 -167.599 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -175.96 -20.08 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.418 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -58.61 -48.73 83.01 Favored Glycine 0 C--N 1.333 0.385 0 C-N-CA 121.063 -0.589 . . . . 0.0 112.346 178.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -108.01 -58.95 1.91 Allowed 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 175.429 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 71.6 m -137.08 156.42 48.41 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.395 -0.821 . . . . 0.0 109.52 179.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -72.92 70.35 1.01 Allowed 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 121.205 0.526 . . . . 0.0 111.688 -179.477 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.3 tt -173.61 124.67 0.38 Allowed 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 179.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.659 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 25.6 tt0 -90.54 116.66 28.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.072 0.463 . . . . 0.0 110.162 179.574 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -136.36 161.78 34.85 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.998 -177.495 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.557 ' CZ ' HD13 ' A' ' 31' ' ' LEU . 41.8 m-85 -120.0 124.24 45.44 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 171.421 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 38.8 t -100.89 121.81 52.16 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.072 0 CA-C-O 121.008 0.432 . . . . 0.0 110.093 -176.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.654 HD21 HD13 ' A' ' 61' ' ' LEU . 13.9 mt -91.87 103.25 15.82 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 108.342 -0.985 . . . . 0.0 108.342 177.553 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.409 ' O ' HG12 ' A' ' 27' ' ' ILE . 4.5 t-160 -96.18 106.26 18.43 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.191 -0.913 . . . . 0.0 111.729 -165.431 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.409 ' HG ' HG22 ' A' ' 26' ' ' VAL . 5.3 mp -93.97 160.45 14.72 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 171.233 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.57 -11.66 60.26 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.825 0.345 . . . . 0.0 111.788 -171.293 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.49 3.76 8.35 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.72 -177.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.9 ptm180 -175.26 147.27 0.88 Allowed 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 31.2 m -118.34 129.28 55.35 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.817 0.341 . . . . 0.0 110.131 178.268 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 73.0 mt -111.79 137.64 43.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.189 -177.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 61.1 m -102.43 121.72 42.89 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.97 0.414 . . . . 0.0 110.675 -175.069 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.488 HD11 ' HB2' ' A' ' 60' ' ' SER . 3.7 tt -123.33 148.41 27.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.907 -175.787 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.621 ' HB3' HE22 ' A' ' 57' ' ' GLN . 32.7 t-80 -92.79 135.93 25.56 Favored Pre-proline 0 C--N 1.322 -0.616 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 -177.819 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.45 ' HD2' ' CD2' ' A' ' 55' ' ' HIS . 67.2 Cg_exo -40.35 -38.11 2.22 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 124.027 3.151 . . . . 0.0 115.211 -177.009 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.621 HE22 ' HB3' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -71.42 -6.2 38.52 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 121.038 0.447 . . . . 0.0 112.14 -175.795 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.421 ' HB2' ' O ' ' A' ' 55' ' ' HIS . 2.4 m120 -66.35 118.04 49.54 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.744 -177.018 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.432 ' O ' ' HG3' ' A' ' 63' ' ' GLN . 17.8 Cg_endo -61.21 -22.74 75.54 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.387 2.058 . . . . 0.0 110.468 173.441 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.488 ' HB2' HD11 ' A' ' 54' ' ' ILE . 0.8 OUTLIER -58.43 -38.45 77.47 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.273 176.06 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.654 HD13 HD21 ' A' ' 45' ' ' LEU . 41.4 tp -78.56 -35.57 45.79 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.147 -178.085 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.3 m -57.74 -46.42 84.48 Favored 'General case' 0 C--O 1.238 0.456 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 172.082 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.432 ' HG3' ' O ' ' A' ' 59' ' ' PRO . 27.6 mt-30 -60.65 -44.32 96.54 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.311 -0.859 . . . . 0.0 109.842 173.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.525 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 10.5 t-105 -58.51 -48.46 80.75 Favored 'General case' 0 C--O 1.216 -0.698 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.364 -178.091 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.736 ' HD2' ' HB3' ' A' ' 81' ' ' PHE . 9.4 m-85 -53.55 -39.45 64.74 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 117.953 0.342 . . . . 0.0 111.575 179.507 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -76.36 -42.26 45.31 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-O 121.339 0.59 . . . . 0.0 110.643 177.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 13.0 m170 -66.93 -43.1 84.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.206 -178.279 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.525 ' HG2' ' O ' ' A' ' 64' ' ' TRP . 12.8 pt20 -64.51 -29.71 70.74 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-O 120.836 0.35 . . . . 0.0 110.286 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -63.99 -29.11 70.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.398 178.325 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.3 ptt180 -107.96 10.26 28.42 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 120.693 -0.403 . . . . 0.0 111.147 178.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.476 ' HE3' ' OD1' ' A' ' 20' ' ' ASP . 63.2 mttm -125.68 -164.16 1.28 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.278 175.589 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.1 mp 53.09 -93.32 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.254 0 O-C-N 123.762 0.664 . . . . 0.0 111.662 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 10.9 t-80 -158.47 -3.96 0.08 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.934 179.145 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 84.02 -15.66 37.04 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 121.059 -0.591 . . . . 0.0 112.021 -175.401 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 16.9 p -88.52 108.82 19.61 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.906 0.384 . . . . 0.0 111.062 -178.216 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 58.4 mt -148.81 159.34 38.09 Favored Pre-proline 0 N--CA 1.445 -0.722 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 -178.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -40.74 113.19 0.21 Allowed 'Trans proline' 0 C--O 1.234 0.304 0 C-N-CA 123.288 2.659 . . . . 0.0 112.954 171.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -80.74 84.01 6.37 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.403 0.621 . . . . 0.0 110.736 -179.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -108.17 16.42 23.3 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.723 176.543 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 65.3 m-20 68.5 89.85 0.1 Allowed 'General case' 0 CA--C 1.511 -0.532 0 CA-C-N 114.596 -1.183 . . . . 0.0 109.84 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.736 ' HB3' ' HD2' ' A' ' 65' ' ' PHE . 32.8 m-85 -65.84 -19.32 65.84 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 114.373 -1.285 . . . . 0.0 111.349 -171.311 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.449 ' HA2' ' HG2' ' A' ' 85' ' ' ARG . . . -71.74 7.8 6.67 Favored Glycine 0 N--CA 1.449 -0.464 0 CA-C-N 115.891 -0.595 . . . . 0.0 112.882 178.556 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 26.4 ptt? -74.7 -11.87 60.28 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.87 0.367 . . . . 0.0 110.624 176.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.562 HD12 ' N ' ' A' ' 85' ' ' ARG . 1.0 OUTLIER -152.67 -19.71 0.16 Allowed 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 113.15 0.796 . . . . 0.0 113.15 177.835 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.562 ' N ' HD12 ' A' ' 84' ' ' LEU . 13.0 ptm180 -76.55 132.91 39.79 Favored 'General case' 0 CA--C 1.521 -0.166 0 C-N-CA 119.591 -0.844 . . . . 0.0 109.992 179.223 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt 73.14 -29.51 0.2 Allowed 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.554 0.742 . . . . 0.0 110.902 -177.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.483 ' H ' ' C ' ' A' ' 85' ' ' ARG . 46.9 ttm -72.53 -45.29 60.03 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.633 173.332 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.924 0 CA-C-O 118.699 -1.056 . . . . 0.0 111.044 177.673 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 88.1 t80 . . . . . 0 N--CA 1.476 0.853 0 CA-C-O 121.134 0.492 . . . . 0.0 109.94 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.4 pp -117.66 144.85 44.83 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.105 175.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.421 ' HG ' ' SG ' ' A' ' 10' ' ' CYS . 4.0 mm? -74.63 114.2 31.81 Favored Pre-proline 0 C--N 1.321 -0.648 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 176.686 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.947 ' HB2' ' HB ' ' A' ' 7' ' ' THR . 51.1 Cg_exo -54.0 142.99 63.46 Favored 'Trans proline' 0 C--O 1.233 0.247 0 C-N-CA 122.901 2.4 . . . . 0.0 112.297 -177.446 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 4' ' ' PRO . 51.9 Cg_exo -54.03 122.89 12.22 Favored 'Trans proline' 0 C--O 1.237 0.436 0 C-N-CA 122.892 2.395 . . . . 0.0 111.973 179.272 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.9 m 59.06 29.14 18.62 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.777 -178.33 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.947 ' HB ' ' HB2' ' A' ' 4' ' ' PRO . 2.6 m -143.84 32.02 1.28 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 122.075 0.94 . . . . 0.0 108.716 178.612 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -84.78 87.42 7.31 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.844 -1.071 . . . . 0.0 111.401 -174.66 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.803 ' HA ' ' OE1' ' A' ' 32' ' ' GLN . 38.2 t -104.33 87.47 2.74 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 174.578 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.421 ' SG ' ' HG ' ' A' ' 3' ' ' LEU . 84.5 m -87.77 117.03 26.32 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.284 -0.871 . . . . 0.0 111.219 -174.083 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.3 p -86.11 -39.47 16.7 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.405 0.621 . . . . 0.0 109.725 172.025 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -88.26 163.55 16.05 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.016 -0.993 . . . . 0.0 110.751 175.161 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.521 HD13 ' HB3' ' A' ' 55' ' ' HIS . 61.1 mt -141.25 140.5 33.92 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.189 -177.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.614 ' CE2' ' HB2' ' A' ' 16' ' ' LYS . 77.2 t80 -83.55 -41.14 18.26 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 178.135 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 17.5 ptm180 48.19 27.3 1.25 Allowed 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.507 1.123 . . . . 0.0 113.997 172.032 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.614 ' HB2' ' CE2' ' A' ' 14' ' ' TYR . 68.3 mttm -123.18 147.89 53.19 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 122.153 -0.342 . . . . 0.0 110.34 178.788 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.416 ' HA ' ' HB2' ' A' ' 60' ' ' SER . 51.0 Cg_exo -55.7 124.45 16.31 Favored 'Trans proline' 0 C--O 1.238 0.481 0 C-N-CA 123.222 2.614 . . . . 0.0 113.365 -178.775 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.78 ' HB3' HD11 ' A' ' 22' ' ' LEU . 87.2 mt -93.52 148.21 22.28 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.338 178.166 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.612 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 11.3 m -89.25 151.25 22.24 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.728 -178.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.506 ' HA ' ' HB2' ' A' ' 23' ' ' LEU . 18.5 m-20 -59.33 -29.29 67.54 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.603 -0.272 . . . . 0.0 111.422 178.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -55.48 -48.88 73.88 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.376 178.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.78 HD11 ' HB3' ' A' ' 18' ' ' LEU . 3.9 pp -77.09 -33.8 56.99 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.932 175.735 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.506 ' HB2' ' HA ' ' A' ' 20' ' ' ASP . 2.2 tp -63.58 -35.83 81.79 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.551 -0.75 . . . . 0.0 112.26 -171.598 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -66.02 -12.18 53.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.934 0.397 . . . . 0.0 111.562 179.475 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.538 ' HE2' ' HA ' ' A' ' 22' ' ' LEU . 53.7 mtmt -96.92 5.94 49.57 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.16 -177.35 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.478 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 12.3 t -74.25 130.19 36.11 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.865 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.797 175.234 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.518 HD13 ' HA ' ' A' ' 48' ' ' ALA . 16.0 pt -105.32 -27.23 3.15 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.931 -178.423 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.45 ' HG2' HG13 ' A' ' 27' ' ' ILE . 14.3 mm100 -137.82 134.26 34.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.511 -179.054 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 52.3 t -107.99 115.78 49.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 170.183 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -125.32 147.96 48.92 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.396 0.617 . . . . 0.0 111.779 -173.148 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 44.7 tp -111.09 108.83 18.66 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.498 -0.773 . . . . 0.0 109.928 176.143 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.803 ' OE1' ' HA ' ' A' ' 9' ' ' CYS . 8.8 tt0 -72.45 128.5 35.79 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 173.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -99.42 158.11 15.95 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 120.668 0.27 . . . . 0.0 110.692 -175.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.16 -11.77 58.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.113 -0.494 . . . . 0.0 112.026 -174.318 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -143.02 -6.99 0.83 Allowed 'General case' 0 C--N 1.317 -0.847 0 CA-C-O 121.284 0.564 . . . . 0.0 110.09 177.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -87.19 109.35 3.44 Favored Glycine 0 N--CA 1.448 -0.506 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.985 -178.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.6 t70 73.32 -53.45 0.7 Allowed 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 123.769 0.828 . . . . 0.0 110.323 -178.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 31.7 t -117.12 -165.83 1.11 Allowed 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.154 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 36.5 p-80 -124.51 28.47 6.6 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.546 0.573 . . . . 0.0 112.546 -174.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.5 pp -159.38 155.43 26.69 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 110.409 -0.219 . . . . 0.0 110.409 176.381 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.597 ' HA ' ' O ' ' A' ' 32' ' ' GLN . 62.2 tt0 -93.89 131.71 39.04 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.909 0.385 . . . . 0.0 110.817 -176.161 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.58 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -159.84 134.73 7.9 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.687 176.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.5 ' CB ' ' HG ' ' A' ' 61' ' ' LEU . 64.1 m-85 -84.89 103.1 13.65 Favored 'General case' 0 C--N 1.317 -0.848 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 172.066 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 85.1 t -99.84 134.9 37.64 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.931 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.401 -173.563 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.565 HD12 HD12 ' A' ' 18' ' ' LEU . 60.7 mt -105.49 119.54 39.35 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.889 -177.149 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -106.71 109.07 20.88 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.773 -171.371 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.478 ' HA ' ' HA ' ' A' ' 26' ' ' VAL . 7.0 mp -87.2 163.08 17.12 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 175.71 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.518 ' HA ' HD13 ' A' ' 27' ' ' ILE . . . -57.98 -25.48 61.09 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.853 -0.612 . . . . 0.0 112.225 -178.608 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -128.79 3.87 5.44 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.964 -0.562 . . . . 0.0 112.398 -170.591 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -167.37 170.8 11.15 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.861 -176.187 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 15.5 m -139.91 135.2 32.61 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.829 0.347 . . . . 0.0 110.725 -179.037 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 81.4 mt -124.77 129.3 73.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.57 -179.617 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 34.3 m -102.05 121.52 42.33 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.16 0.505 . . . . 0.0 110.645 -174.024 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 43.8 mt -122.47 138.91 51.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.019 -179.46 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.521 ' HB3' HD13 ' A' ' 13' ' ' LEU . 3.7 p80 -86.23 157.08 56.84 Favored Pre-proline 0 C--N 1.326 -0.429 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 177.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.58 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 19.2 Cg_endo -58.92 153.14 53.03 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.282 1.988 . . . . 0.0 111.421 175.609 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 32.3 mm-40 65.93 64.54 0.55 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.588 0.709 . . . . 0.0 110.501 -174.176 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -141.47 130.17 12.32 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 115.155 -0.93 . . . . 0.0 109.454 177.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -51.12 -31.76 36.95 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 123.54 2.827 . . . . 0.0 113.61 -177.088 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.416 ' HB2' ' HA ' ' A' ' 17' ' ' PRO . 4.2 t -70.51 -43.0 70.56 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.639 0.257 . . . . 0.0 110.808 -176.721 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.5 ' HG ' ' CB ' ' A' ' 43' ' ' PHE . 0.2 OUTLIER -70.76 -41.8 71.28 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 -176.044 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 27.9 t -58.54 -48.5 80.66 Favored 'General case' 0 C--O 1.24 0.576 0 CA-C-O 121.258 0.551 . . . . 0.0 109.938 177.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -60.34 -37.03 79.37 Favored 'General case' 0 C--O 1.224 -0.269 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.485 176.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.449 ' CE3' ' HG ' ' A' ' 23' ' ' LEU . 5.8 t-105 -68.97 -28.3 66.49 Favored 'General case' 0 C--O 1.217 -0.62 0 C-N-CA 121.06 -0.256 . . . . 0.0 111.313 -177.317 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -61.47 -50.7 71.69 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.17 -0.612 . . . . 0.0 110.074 173.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -64.33 -45.75 86.53 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-O 121.395 0.617 . . . . 0.0 110.627 176.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.535 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 12.2 m170 -68.72 -40.73 79.76 Favored 'General case' 0 C--O 1.217 -0.623 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.984 -175.279 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -64.17 -32.6 74.24 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.13 0.49 . . . . 0.0 110.227 -177.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -61.25 -32.71 72.51 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.838 176.383 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 -115.04 30.53 7.29 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.836 179.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.535 ' HB2' ' O ' ' A' ' 67' ' ' HIS . 7.5 tppt? -141.79 -155.49 0.59 Allowed 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 -178.06 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.495 ' H ' ' HG3' ' A' ' 71' ' ' LYS . 1.5 mm? 52.62 -83.48 0.01 OUTLIER 'General case' 0 C--O 1.233 0.199 0 C-N-CA 123.932 0.893 . . . . 0.0 113.312 -174.19 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.42 ' HB2' ' O ' ' A' ' 72' ' ' LEU . 56.2 t-80 159.83 -17.8 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 -165.329 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 116.84 -6.87 17.63 Favored Glycine 0 N--CA 1.446 -0.676 0 CA-C-N 114.701 -1.136 . . . . 0.0 110.623 -172.414 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 16.3 p -71.19 96.15 1.35 Allowed 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.235 -0.483 . . . . 0.0 111.193 -179.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 30.9 mt -157.36 155.01 26.92 Favored Pre-proline 0 N--CA 1.447 -0.603 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.394 -178.141 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -77.21 178.47 7.59 Favored 'Trans proline' 0 N--CA 1.457 -0.629 0 C-N-CA 122.525 2.15 . . . . 0.0 111.607 178.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -71.62 86.47 0.9 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.137 0.494 . . . . 0.0 109.892 176.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 94.0 mt -86.85 107.27 18.24 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.067 -177.113 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -83.05 23.0 0.89 Allowed 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.578 172.521 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.428 ' HA ' ' SD ' ' A' ' 83' ' ' MET . 96.8 m-85 -93.52 44.58 1.14 Allowed 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.561 -175.537 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -69.62 -34.0 72.47 Favored Glycine 0 N--CA 1.448 -0.531 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.872 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.445 ' HB2' ' OXT' ' A' ' 88' ' ' GLY . 0.0 OUTLIER -58.97 -34.12 71.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.738 0.78 . . . . 0.0 110.702 -179.121 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 9.0 tp -92.34 13.38 19.54 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.365 -175.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -102.11 52.91 0.81 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.733 0.778 . . . . 0.0 110.667 176.256 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm 63.28 21.1 12.65 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 114.145 -1.389 . . . . 0.0 112.734 172.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 22.5 ptp -115.58 -17.28 11.19 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.532 -0.467 . . . . 0.0 111.376 179.075 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.445 ' OXT' ' HB2' ' A' ' 83' ' ' MET . . . . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.509 -1.162 . . . . 0.0 112.16 178.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 84.9 t80 . . . . . 0 N--CA 1.479 0.976 0 CA-C-O 120.852 0.358 . . . . 0.0 110.438 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.535 ' H ' HD23 ' A' ' 2' ' ' LEU . 2.3 pt? -119.17 144.86 46.44 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 176.297 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -77.19 111.55 17.54 Favored Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.125 177.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.586 ' HB2' ' HB ' ' A' ' 7' ' ' THR . 36.4 Cg_exo -60.76 130.59 33.75 Favored 'Trans proline' 0 N--CA 1.463 -0.322 0 C-N-CA 122.874 2.383 . . . . 0.0 111.817 -179.31 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 4' ' ' PRO . 84.0 Cg_exo -49.09 111.85 0.55 Allowed 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 123.24 2.626 . . . . 0.0 113.122 -178.399 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.0 m 74.36 6.61 4.63 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.587 -0.733 . . . . 0.0 112.663 176.444 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.586 ' HB ' ' HB2' ' A' ' 4' ' ' PRO . 86.5 m -90.13 80.31 6.32 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.674 -0.862 . . . . 0.0 108.674 171.24 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.833 ' HB1' ' HB2' ' A' ' 32' ' ' GLN . . . -77.31 87.44 3.72 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.055 -0.975 . . . . 0.0 111.116 -174.533 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 11.2 t -130.87 34.43 4.09 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.331 -0.85 . . . . 0.0 109.026 179.494 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 59.6 m -71.35 117.46 12.91 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.894 -177.396 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 15.3 p -102.59 -3.36 26.84 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.683 0.754 . . . . 0.0 109.378 172.701 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.407 HE21 ' H ' ' A' ' 12' ' ' GLN . 0.3 OUTLIER -123.8 159.71 28.95 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.706 -1.133 . . . . 0.0 109.279 175.297 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 88.3 mt -134.76 142.77 46.82 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.583 0.23 . . . . 0.0 110.513 -176.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -65.34 -44.33 88.09 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.886 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 51.1 mtp180 66.3 7.65 5.06 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.579 -0.737 . . . . 0.0 112.503 172.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.447 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 72.6 mmtt -124.28 142.06 39.09 Favored Pre-proline 0 C--N 1.323 -0.555 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 179.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' A' ' 16' ' ' LYS . 32.3 Cg_exo -62.71 128.91 24.61 Favored 'Trans proline' 0 N--CA 1.463 -0.295 0 C-N-CA 122.837 2.358 . . . . 0.0 111.701 177.423 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.665 ' HB3' HD11 ' A' ' 22' ' ' LEU . 82.8 mt -77.45 156.32 31.16 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.055 -176.631 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.552 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 48.9 m -72.49 135.93 45.81 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.14 176.042 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -62.88 -28.66 70.19 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 121.124 0.488 . . . . 0.0 110.581 -176.46 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.462 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 27.1 mtpp -60.11 -49.24 78.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.861 178.735 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.665 HD11 ' HB3' ' A' ' 18' ' ' LEU . 4.4 pp -75.97 -27.58 57.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.973 0.416 . . . . 0.0 110.608 175.724 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.644 ' HG ' ' CZ3' ' A' ' 64' ' ' TRP . 14.5 tp -67.76 -37.34 81.97 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.104 -174.324 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.697 ' HB3' ' HD3' ' A' ' 71' ' ' LYS . 14.0 ptm180 -66.37 -5.7 11.68 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 121.041 0.448 . . . . 0.0 111.37 179.09 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.6 mtpt -105.32 7.29 33.33 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.738 -179.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.702 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 43.4 t -82.42 130.82 35.12 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.01 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 170.586 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 14.6 pt -99.2 -36.38 5.41 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.344 -175.408 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -142.68 157.52 44.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.831 0.348 . . . . 0.0 110.618 -177.191 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 4.5 p -111.84 115.86 50.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 172.28 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.412 ' H ' ' HG2' ' A' ' 30' ' ' GLU . 10.1 pt-20 -108.16 117.33 33.85 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.602 0.715 . . . . 0.0 111.388 -173.649 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 48.4 tp -76.86 118.66 19.68 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.75 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.833 ' HB2' ' HB1' ' A' ' 8' ' ' ALA . 32.8 tt0 -79.92 110.71 15.55 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.241 172.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -80.53 147.2 30.94 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 179.245 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.635 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . . . -77.18 28.15 0.14 Allowed 'General case' 0 C--O 1.236 0.384 0 N-CA-C 112.907 0.706 . . . . 0.0 112.907 -167.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.431 ' H ' ' H ' ' A' ' 36' ' ' GLY . 12.5 t70 -177.39 -14.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.597 0.236 . . . . 0.0 111.038 -178.812 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.431 ' H ' ' H ' ' A' ' 35' ' ' ASP . . . -62.14 -74.39 0.41 Allowed Glycine 0 C--N 1.334 0.427 0 C-N-CA 121.315 -0.469 . . . . 0.0 113.099 -178.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -84.16 -44.6 13.82 Favored 'General case' 0 CA--C 1.516 -0.331 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 179.067 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 94.8 m -150.92 -176.55 5.58 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.329 -1.305 . . . . 0.0 108.632 172.469 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 5.1 p-80 -78.24 173.75 11.94 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.754 -0.379 . . . . 0.0 110.091 174.487 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.2 tm? 75.92 121.6 0.05 OUTLIER 'General case' 0 N--CA 1.471 0.621 0 O-C-N 124.241 0.963 . . . . 0.0 110.373 -179.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.635 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 9.8 tt0 -94.31 131.25 40.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.499 -179.41 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.505 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -147.91 163.03 38.06 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.946 -179.211 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.455 ' O ' ' HB ' ' A' ' 54' ' ' ILE . 2.3 m-85 -109.27 103.7 12.7 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 174.489 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.447 HG13 ' O ' ' A' ' 52' ' ' ILE . 57.9 t -99.68 131.17 47.57 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.696 -171.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 64.3 mt -94.41 124.37 38.39 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.24 0.543 . . . . 0.0 110.569 -178.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 10.8 t60 -102.18 103.59 14.12 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.989 -172.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.702 ' HA ' ' HA ' ' A' ' 26' ' ' VAL . 6.0 mp -79.97 161.96 25.19 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 172.096 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.13 -13.85 20.42 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -178.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -109.99 -42.73 4.14 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.155 -177.648 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.7 168.86 24.98 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.66 -0.245 . . . . 0.0 111.123 -174.391 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.1 m -110.76 157.15 20.09 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.032 0.444 . . . . 0.0 111.757 -176.564 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.447 ' O ' HG13 ' A' ' 44' ' ' VAL . 62.2 mt -125.71 143.9 37.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.127 175.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 25.1 m -99.93 121.52 41.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.025 0.44 . . . . 0.0 110.501 -171.46 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.455 ' HB ' ' O ' ' A' ' 43' ' ' PHE . 5.8 mt -126.44 144.74 35.58 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.722 -174.391 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 20.9 t-80 -65.58 129.46 94.36 Favored Pre-proline 0 CA--C 1.531 0.242 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.689 176.115 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.505 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 72.7 Cg_exo -48.85 -42.61 37.09 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.911 2.408 . . . . 0.0 113.11 -178.694 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 26.1 mm-40 -93.49 78.78 4.36 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 174.183 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -140.31 131.41 14.08 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.905 179.493 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -52.91 -34.85 68.31 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 123.059 2.506 . . . . 0.0 112.982 -177.188 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.4 t -63.75 -30.23 71.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.281 -178.309 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.46 ' O ' ' HB3' ' A' ' 64' ' ' TRP . 0.4 OUTLIER -79.99 -43.61 21.69 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 -176.913 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.0 p -66.59 -44.69 81.5 Favored 'General case' 0 C--O 1.242 0.702 0 CA-C-O 121.684 0.754 . . . . 0.0 110.946 178.341 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -60.56 -28.44 68.46 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.09 175.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.649 ' CH2' HD11 ' A' ' 72' ' ' LEU . 13.1 t-105 -61.62 -46.07 91.38 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.803 178.473 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -53.16 -41.11 64.86 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.843 0.354 . . . . 0.0 110.541 177.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -76.21 -38.87 55.89 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.054 0.454 . . . . 0.0 111.103 179.368 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.669 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 8.9 m170 -70.42 -45.85 65.09 Favored 'General case' 0 C--O 1.219 -0.539 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.408 -177.612 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -65.38 -29.72 70.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.992 0.425 . . . . 0.0 110.173 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -57.65 -34.73 69.65 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.974 175.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 -114.24 27.29 9.6 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.251 -178.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.697 ' HD3' ' HB3' ' A' ' 24' ' ' ARG . 4.5 ttmm -146.54 -158.16 0.88 Allowed 'General case' 0 C--N 1.328 -0.368 0 O-C-N 122.294 -0.254 . . . . 0.0 110.733 -174.599 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.649 HD11 ' CH2' ' A' ' 64' ' ' TRP . 6.9 mp 52.47 -107.39 0.34 Allowed 'General case' 0 C--N 1.342 0.245 0 CA-C-O 120.777 0.322 . . . . 0.0 110.901 -175.263 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 36.6 t60 -151.2 16.82 0.74 Allowed 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 78.71 -5.86 55.95 Favored Glycine 0 C--N 1.331 0.287 0 CA-C-N 115.566 -0.743 . . . . 0.0 112.71 -177.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 26.8 p -79.65 104.79 10.48 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.596 0.236 . . . . 0.0 111.272 -178.564 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 76' ' ' LEU . 41.9 mt -143.59 155.56 60.23 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-O 121.035 0.445 . . . . 0.0 111.163 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_endo -91.29 -169.97 0.32 Allowed 'Trans proline' 0 N--CA 1.455 -0.736 0 C-N-CA 123.542 2.828 . . . . 0.0 111.869 179.338 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -93.96 89.27 6.01 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.916 0.389 . . . . 0.0 110.783 177.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.587 ' HB3' ' HD1' ' A' ' 81' ' ' PHE . 62.2 mt -97.44 120.62 38.14 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.403 179.211 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -77.55 23.4 0.22 Allowed 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 121.512 0.672 . . . . 0.0 110.498 173.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.587 ' HD1' ' HB3' ' A' ' 79' ' ' LEU . 95.9 m-85 -98.85 13.49 32.27 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.023 -172.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -69.46 -12.33 66.39 Favored Glycine 0 N--CA 1.451 -0.307 0 N-CA-C 111.292 -0.723 . . . . 0.0 111.292 176.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.52 ' HA ' ' SD ' ' A' ' 87' ' ' MET . 0.0 OUTLIER -66.74 -9.25 34.69 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.33 -0.435 . . . . 0.0 111.494 177.203 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.456 ' HG ' ' SD ' ' A' ' 83' ' ' MET . 51.2 mt -86.3 -1.72 57.75 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.272 178.727 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 76.6 mtp180 -79.12 73.28 5.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.912 0.387 . . . . 0.0 111.332 -178.221 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt 64.4 14.71 9.01 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.474 -0.784 . . . . 0.0 112.042 174.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.52 ' SD ' ' HA ' ' A' ' 83' ' ' MET . 53.5 mtt -90.27 -18.74 25.09 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.2 0.524 . . . . 0.0 109.82 177.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.176 -1.347 . . . . 0.0 111.368 177.97 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 89.0 t80 . . . . . 0 N--CA 1.48 1.067 0 CA-C-O 121.295 0.569 . . . . 0.0 110.369 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.445 ' O ' ' HD3' ' A' ' 4' ' ' PRO . 46.0 tp -142.95 135.04 27.14 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.484 176.008 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.479 ' HB2' ' HB2' ' A' ' 51' ' ' SER . 3.7 mm? -73.8 110.85 10.07 Favored Pre-proline 0 N--CA 1.444 -0.774 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 173.807 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 1.015 ' HB2' ' HB ' ' A' ' 7' ' ' THR . 52.3 Cg_exo -55.84 135.6 70.39 Favored 'Trans proline' 0 N--CA 1.462 -0.367 0 C-N-CA 122.832 2.354 . . . . 0.0 111.922 -178.292 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -54.33 117.46 3.96 Favored 'Trans proline' 0 C--O 1.234 0.297 0 C-N-CA 123.075 2.516 . . . . 0.0 111.835 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.9 m 65.24 30.4 11.3 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 121.279 0.561 . . . . 0.0 110.757 -177.275 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 1.015 ' HB ' ' HB2' ' A' ' 4' ' ' PRO . 13.7 m -148.33 69.78 1.11 Allowed 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 174.084 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -117.62 86.84 2.59 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.665 -171.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 92.2 m -82.44 85.73 6.87 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 171.43 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.462 ' HB2' ' OE1' ' A' ' 32' ' ' GLN . 62.2 m -64.64 129.69 40.76 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.061 178.69 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 13.8 t -128.5 12.3 6.41 Favored 'General case' 0 C--N 1.312 -1.055 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 171.165 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -144.81 146.08 31.94 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 113.991 -1.459 . . . . 0.0 109.552 -179.558 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 68.5 mt -132.48 122.5 24.99 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 179.193 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -59.26 -50.68 73.06 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.752 -176.038 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.411 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 40.9 ttp180 63.93 25.82 14.04 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.681 0.753 . . . . 0.0 111.091 174.775 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.556 ' HD2' ' HD2' ' A' ' 17' ' ' PRO . 22.2 mmtp -140.06 154.9 70.78 Favored Pre-proline 0 C--N 1.319 -0.743 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.051 177.725 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.723 ' HA ' ' OG ' ' A' ' 60' ' ' SER . 31.5 Cg_endo -64.18 142.14 78.94 Favored 'Trans proline' 0 N--CA 1.462 -0.327 0 C-N-CA 122.666 2.244 . . . . 0.0 112.099 176.352 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 87.4 mt -98.13 167.12 11.07 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.356 177.408 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.669 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 16.5 m -99.09 137.17 38.0 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.806 -179.043 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -63.28 -27.4 69.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.575 -179.007 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 38.4 mttm -54.93 -49.72 70.64 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.021 0.439 . . . . 0.0 109.852 178.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.669 ' HG ' ' O ' ' A' ' 19' ' ' SER . 4.0 pp -76.16 -36.36 58.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.677 175.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.438 ' HG ' ' CZ3' ' A' ' 64' ' ' TRP . 6.7 tp -63.21 -36.96 85.38 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.675 -0.693 . . . . 0.0 112.138 -170.183 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.3 ptp180 -64.7 -11.81 39.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.872 0.368 . . . . 0.0 111.275 179.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -101.28 13.17 35.94 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.264 -177.309 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.794 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 20.3 t -72.01 147.62 10.39 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.695 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.486 172.699 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 13.3 pt -114.13 -35.76 2.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 C-N-CA 121.151 -0.22 . . . . 0.0 111.346 179.356 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 -141.41 157.62 44.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.795 0.331 . . . . 0.0 110.762 -178.35 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.746 HG21 HE22 ' A' ' 68' ' ' GLN . 46.9 t -119.36 120.83 64.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 174.735 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.407 ' CD ' ' HD1' ' A' ' 46' ' ' HIS . 0.1 OUTLIER -124.11 111.25 15.71 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.336 -171.703 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.534 ' H ' HD23 ' A' ' 31' ' ' LEU . 2.0 pt? -90.22 130.05 36.4 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.361 0.601 . . . . 0.0 109.94 176.202 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.535 ' O ' ' HA ' ' A' ' 41' ' ' GLN . 58.2 tt0 -77.44 105.48 8.6 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.596 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -73.3 134.92 44.34 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 176.165 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.528 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . . . -67.85 7.7 0.49 Allowed 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 114.12 1.155 . . . . 0.0 114.12 -167.236 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -175.66 -21.68 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 178.499 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -70.92 -33.33 65.84 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.882 -0.675 . . . . 0.0 111.877 174.059 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -110.72 -50.47 2.95 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.151 0.501 . . . . 0.0 110.301 179.004 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 19.6 t -168.43 161.35 11.78 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.827 -1.175 . . . . 0.0 107.827 -178.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 15.2 t60 -74.64 78.41 2.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 118.754 0.706 . . . . 0.0 112.22 -172.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.508 ' O ' ' HA ' ' A' ' 34' ' ' ALA . 62.5 tp 174.09 153.56 0.11 Allowed 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 124.328 1.051 . . . . 0.0 108.452 171.696 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.535 ' HA ' ' O ' ' A' ' 32' ' ' GLN . 29.8 tt0 -113.1 121.9 45.94 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 176.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.499 ' HA ' ' HG3' ' A' ' 56' ' ' PRO . . . -155.55 176.16 12.96 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 -178.074 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.427 ' HB2' HG22 ' A' ' 54' ' ' ILE . 74.1 m-85 -126.44 112.05 15.16 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.258 -0.428 . . . . 0.0 109.878 175.726 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 11.4 t -104.33 132.62 50.48 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-O 121.026 0.441 . . . . 0.0 110.476 -175.132 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 70.2 mt -104.58 119.0 37.98 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.889 -179.626 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.407 ' HD1' ' CD ' ' A' ' 30' ' ' GLU . 3.8 t60 -104.42 103.53 13.25 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.418 -168.429 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.794 ' HA ' ' HA ' ' A' ' 26' ' ' VAL . 6.5 mp -83.3 159.55 21.88 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 173.303 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.53 -3.66 9.32 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.646 0.26 . . . . 0.0 111.321 178.305 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.429 ' HB2' ' HD3' ' A' ' 50' ' ' ARG . 0.2 OUTLIER -109.77 -47.75 3.31 Favored 'General case' 0 N--CA 1.446 -0.656 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 -179.544 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.441 ' HA ' ' CD1' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -156.88 174.67 15.16 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.137 -177.377 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.479 ' HB2' ' HB2' ' A' ' 3' ' ' LEU . 11.2 m -124.1 135.63 53.68 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.657 0.265 . . . . 0.0 110.745 -178.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 4.9 mp -107.88 136.44 43.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 174.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 44.4 t -101.7 127.84 48.28 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.64 0.733 . . . . 0.0 110.132 -178.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.427 HG22 ' HB2' ' A' ' 43' ' ' PHE . 0.2 OUTLIER -111.43 134.72 52.88 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.872 0 CA-C-N 115.098 -0.955 . . . . 0.0 111.166 -173.907 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.591 ' O ' ' HB2' ' A' ' 58' ' ' ASN . 13.5 t-80 -63.3 132.87 95.26 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.344 172.323 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.499 ' HG3' ' HA ' ' A' ' 42' ' ' ALA . 50.3 Cg_exo -53.76 141.48 65.05 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 121.926 1.75 . . . . 0.0 111.789 178.557 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.498 ' HB2' ' O ' ' A' ' 56' ' ' PRO . 1.7 mp0 74.95 17.06 2.82 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 123.428 0.691 . . . . 0.0 111.181 -175.641 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.591 ' HB2' ' O ' ' A' ' 55' ' ' HIS . 6.7 t30 -76.26 130.57 77.2 Favored Pre-proline 0 C--O 1.235 0.301 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 174.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.516 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 3.9 Cg_endo -46.3 -47.75 14.5 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 123.693 2.929 . . . . 0.0 113.045 -177.078 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.723 ' OG ' ' HA ' ' A' ' 17' ' ' PRO . 66.3 m -63.02 -19.43 64.36 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 113.186 0.809 . . . . 0.0 113.186 -176.239 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.91 -39.98 29.2 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 179.742 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 40.9 t -69.39 -50.92 41.58 Favored 'General case' 0 C--O 1.244 0.794 0 CA-C-O 121.375 0.607 . . . . 0.0 110.812 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.516 ' HG2' ' O ' ' A' ' 59' ' ' PRO . 2.7 pt20 -61.17 -27.52 68.47 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.967 177.066 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.52 ' HB2' ' O ' ' A' ' 60' ' ' SER . 5.4 t-105 -61.91 -39.07 90.74 Favored 'General case' 0 C--O 1.22 -0.48 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.342 179.06 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.638 ' HA ' ' OE1' ' A' ' 68' ' ' GLN . 10.4 m-85 -59.05 -35.71 73.78 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.995 0.426 . . . . 0.0 110.812 176.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.424 ' O ' ' HB3' ' A' ' 69' ' ' GLU . 37.1 mt-10 -74.79 -46.89 33.92 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-O 121.708 0.766 . . . . 0.0 110.907 175.746 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.583 ' HB3' ' HE2' ' A' ' 71' ' ' LYS . 16.8 m170 -68.22 -41.39 81.36 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.227 -175.423 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.746 HE22 HG21 ' A' ' 29' ' ' VAL . 2.0 pt20 -67.23 -26.86 66.8 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 -179.627 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.424 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 8.2 tp10 -60.95 -29.57 69.71 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.151 175.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.413 ' HG2' ' O ' ' A' ' 67' ' ' HIS . 17.4 ptp180 -114.58 12.17 17.2 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -177.046 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.583 ' HE2' ' HB3' ' A' ' 67' ' ' HIS . 61.8 mttm -130.57 -156.17 0.74 Allowed 'General case' 0 N--CA 1.469 0.479 0 O-C-N 122.111 -0.368 . . . . 0.0 110.977 177.726 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.0 mp 52.14 44.24 29.83 Favored 'General case' 0 CA--C 1.513 -0.451 0 N-CA-C 114.253 1.205 . . . . 0.0 114.253 175.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 4.9 t-160 67.61 9.11 6.83 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.649 0.261 . . . . 0.0 111.521 168.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 69.93 21.84 76.89 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.391 -0.909 . . . . 0.0 111.357 -173.53 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.59 125.19 44.39 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 -179.092 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.619 HD12 ' HD2' ' A' ' 77' ' ' PRO . 15.6 tp -150.02 142.5 15.78 Favored Pre-proline 0 N--CA 1.441 -0.913 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 -173.257 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.619 ' HD2' HD12 ' A' ' 76' ' ' LEU . 85.5 Cg_endo -72.25 143.85 40.39 Favored 'Trans proline' 0 C--N 1.326 -0.636 0 C-N-CA 122.69 2.26 . . . . 0.0 111.81 178.379 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 60.5 tttm -78.91 78.77 5.34 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.207 0.527 . . . . 0.0 109.995 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.7 pp -99.84 11.85 38.21 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.088 176.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.614 ' O ' ' HG3' ' A' ' 83' ' ' MET . 86.8 m-20 57.7 75.89 0.35 Allowed 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 114.047 -1.433 . . . . 0.0 110.681 -178.138 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.489 ' HA ' ' HE2' ' A' ' 65' ' ' PHE . 5.3 p90 -77.96 13.96 1.25 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.802 -0.635 . . . . 0.0 112.158 -175.029 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -100.56 4.94 56.79 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.221 179.519 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.614 ' HG3' ' O ' ' A' ' 80' ' ' ASN . 0.0 OUTLIER -108.1 -4.66 17.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.871 0.367 . . . . 0.0 111.674 -179.051 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.529 ' O ' HD13 ' A' ' 84' ' ' LEU . 1.6 tm? -109.21 -25.46 10.6 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.129 0.49 . . . . 0.0 109.791 -178.486 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -69.32 137.65 53.14 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.657 -178.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm 70.81 4.36 4.99 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.5 -177.061 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 25.7 mmt -96.48 -34.0 11.65 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.416 0.627 . . . . 0.0 109.421 174.675 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.083 -1.398 . . . . 0.0 110.985 176.583 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 46.0 p90 . . . . . 0 N--CA 1.48 1.034 0 CA-C-O 120.965 0.412 . . . . 0.0 110.474 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.507 ' O ' ' HD3' ' A' ' 4' ' ' PRO . 4.1 pp -123.76 145.74 48.81 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 173.393 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.434 HD13 ' HA ' ' A' ' 3' ' ' LEU . 4.3 mm? -73.58 111.82 13.62 Favored Pre-proline 0 C--N 1.322 -0.621 0 O-C-N 123.162 0.289 . . . . 0.0 110.622 178.864 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.577 ' HB2' ' HB ' ' A' ' 7' ' ' THR . 31.4 Cg_exo -58.74 131.51 42.58 Favored 'Trans proline' 0 N--CA 1.46 -0.468 0 C-N-CA 122.722 2.281 . . . . 0.0 111.651 177.583 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.465 ' HB3' ' CD2' ' A' ' 46' ' ' HIS . 9.7 Cg_endo -53.53 129.56 34.41 Favored 'Trans proline' 0 C--O 1.235 0.369 0 C-N-CA 122.974 2.449 . . . . 0.0 112.367 179.703 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.9 m 70.18 10.91 7.47 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.514 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.577 ' HB ' ' HB2' ' A' ' 4' ' ' PRO . 72.4 m -122.39 81.11 1.8 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 172.436 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -114.72 103.94 11.48 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -169.448 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.452 ' HA ' ' HB2' ' A' ' 38' ' ' CYS . 33.1 t -126.75 35.46 4.61 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 106.387 -1.709 . . . . 0.0 106.387 163.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.432 ' O ' HD11 ' A' ' 40' ' ' LEU . 8.3 t -59.11 118.38 5.79 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 113.207 -1.815 . . . . 0.0 110.638 -174.186 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.9 p -85.08 -56.35 3.6 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.323 -179.314 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.419 ' NE2' ' SG ' ' A' ' 10' ' ' CYS . 0.2 OUTLIER -76.54 137.35 39.53 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.549 0.69 . . . . 0.0 111.401 178.062 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.452 HD13 ' HA ' ' A' ' 55' ' ' HIS . 83.2 mt -119.55 144.84 46.84 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 -177.698 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -76.34 -34.72 58.98 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.574 -0.284 . . . . 0.0 110.836 -175.52 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.772 ' HG3' ' H ' ' A' ' 16' ' ' LYS . 5.7 tpt180 63.58 -177.42 0.15 Allowed 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 -176.846 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.772 ' H ' ' HG3' ' A' ' 15' ' ' ARG . 36.4 mtmm 68.41 166.86 0.12 Allowed Pre-proline 0 N--CA 1.466 0.372 0 CA-C-O 120.915 0.388 . . . . 0.0 111.441 177.148 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.5 ' HA ' ' HB2' ' A' ' 60' ' ' SER . 1.7 Cg_endo -84.3 138.33 7.55 Favored 'Trans proline' 0 N--CA 1.454 -0.803 0 C-N-CA 122.754 2.303 . . . . 0.0 111.259 170.486 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.425 ' HB2' HD21 ' A' ' 23' ' ' LEU . 89.3 mt -80.5 144.26 32.66 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.943 -0.392 . . . . 0.0 109.943 178.198 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.6 ' HB2' ' HG ' ' A' ' 22' ' ' LEU . 48.3 m -61.48 147.45 45.22 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.909 179.921 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -56.76 -37.21 70.75 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.879 -177.51 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -56.99 -44.01 82.3 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.955 177.759 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.6 ' HG ' ' HB2' ' A' ' 19' ' ' SER . 1.0 OUTLIER -73.38 -43.47 60.54 Favored 'General case' 0 CA--C 1.512 -0.493 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 -179.709 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.514 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 33.7 mt -58.53 -49.13 78.51 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 115.087 -0.961 . . . . 0.0 111.95 -174.214 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -61.71 -9.45 6.37 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -177.67 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 47.3 mtmt -99.52 -7.46 25.92 Favored 'General case' 0 C--O 1.236 0.395 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.816 179.623 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.679 HG22 ' HG ' ' A' ' 47' ' ' LEU . 39.9 t -74.82 133.39 31.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 175.608 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 19.8 pt -110.14 -22.72 4.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 112.445 0.535 . . . . 0.0 112.445 -173.519 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.438 ' OE1' ' HG3' ' A' ' 77' ' ' PRO . 70.2 mm-40 -149.16 156.98 43.0 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.964 0.411 . . . . 0.0 111.651 -179.462 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 43.8 t -112.94 128.5 69.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.401 177.33 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -119.16 139.37 51.93 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.937 0.398 . . . . 0.0 110.655 -176.361 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.461 HD13 ' CZ ' ' A' ' 43' ' ' PHE . 42.3 tp -105.13 119.43 39.02 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.15 0.5 . . . . 0.0 111.304 -179.285 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -87.02 104.7 16.56 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 170.609 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -74.28 144.6 44.52 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.778 -176.71 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.716 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . . . -78.14 5.76 9.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.515 -176.833 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -157.77 -30.79 0.08 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.966 179.612 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -71.0 3.29 13.75 Favored Glycine 0 CA--C 1.521 0.468 0 C-N-CA 120.996 -0.621 . . . . 0.0 113.383 -179.822 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -165.29 -65.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.408 0.623 . . . . 0.0 109.979 178.198 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.452 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 11.5 t -111.29 164.52 12.82 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.176 -0.92 . . . . 0.0 109.363 -175.336 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.3 p-80 -91.5 30.04 1.38 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.078 0.465 . . . . 0.0 111.782 179.873 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.432 HD11 ' O ' ' A' ' 10' ' ' CYS . 1.0 OUTLIER -158.34 151.7 23.11 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 171.493 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.716 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 55.7 tt0 -98.44 143.85 28.44 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.952 0.406 . . . . 0.0 111.078 -175.331 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -153.84 152.13 30.32 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.122 176.876 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.531 ' CB ' ' HG ' ' A' ' 61' ' ' LEU . 16.5 m-85 -111.5 106.61 15.54 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 172.729 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.4 t -105.97 126.84 61.42 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.406 -170.56 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.7 mt -95.81 131.14 42.43 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.478 -176.791 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.465 ' CD2' ' HB3' ' A' ' 5' ' ' PRO . 20.3 t-80 -108.2 112.01 24.29 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.276 0.56 . . . . 0.0 110.99 -177.121 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.679 ' HG ' HG22 ' A' ' 26' ' ' VAL . 4.4 mp -89.22 164.83 14.8 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 172.88 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.55 0.45 12.54 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.043 0.449 . . . . 0.0 110.814 178.569 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -117.18 -28.47 6.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.122 179.432 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.5 ptm180 -165.81 175.54 8.64 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.885 -0.326 . . . . 0.0 111.467 -168.434 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.8 m -127.09 139.03 53.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 109.973 177.423 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 63.4 mt -125.87 136.76 59.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 -179.708 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 66.9 m -100.07 121.06 40.8 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.305 0.574 . . . . 0.0 110.472 -174.797 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.516 ' HB ' ' O ' ' A' ' 43' ' ' PHE . 5.4 mt -111.2 141.38 26.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.982 -177.328 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.452 ' HA ' HD13 ' A' ' 13' ' ' LEU . 50.2 t-80 -62.48 127.88 90.64 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.677 173.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -46.99 -58.83 1.5 Allowed 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 123.045 2.497 . . . . 0.0 113.318 -174.903 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -77.65 72.86 4.21 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.131 0.491 . . . . 0.0 110.077 176.669 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.403 ' HB2' ' O ' ' A' ' 55' ' ' HIS . 3.2 m-20 -131.35 137.47 30.61 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.118 177.343 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -61.18 -30.32 88.46 Favored 'Trans proline' 0 N--CA 1.463 -0.284 0 C-N-CA 122.58 2.187 . . . . 0.0 111.708 176.954 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.5 ' HB2' ' HA ' ' A' ' 17' ' ' PRO . 27.0 t -66.17 -32.59 74.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.846 -175.635 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.531 ' HG ' ' CB ' ' A' ' 43' ' ' PHE . 1.0 OUTLIER -80.35 -46.47 16.03 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.287 -176.873 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.3 p -64.22 -47.65 78.87 Favored 'General case' 0 C--O 1.248 0.978 0 CA-C-O 121.653 0.739 . . . . 0.0 110.674 179.919 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -61.07 -28.7 69.26 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.303 177.615 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.514 ' CZ3' ' HB3' ' A' ' 23' ' ' LEU . 23.2 t-105 -62.98 -38.74 92.36 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.676 -179.075 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -54.41 -42.35 70.36 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.143 0.497 . . . . 0.0 110.143 176.549 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.475 ' O ' ' HB3' ' A' ' 69' ' ' GLU . 47.3 mt-10 -75.36 -41.35 56.66 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 121.326 0.584 . . . . 0.0 111.183 177.211 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.47 ' HB2' ' HA ' ' A' ' 64' ' ' TRP . 9.5 m170 -63.69 -45.48 89.84 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.601 -177.279 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.502 ' HG2' ' O ' ' A' ' 64' ' ' TRP . 11.1 pt20 -68.07 -26.32 65.78 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.791 0.329 . . . . 0.0 110.269 -179.851 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.475 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 42.0 tt0 -58.01 -34.58 70.16 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.294 177.244 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.4 ptt180 -105.42 10.97 33.15 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 178.447 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 62.9 mttm -127.13 -159.18 0.92 Allowed 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 175.781 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.9 mp 59.3 -83.08 0.02 OUTLIER 'General case' 0 C--N 1.342 0.26 0 O-C-N 123.511 0.507 . . . . 0.0 111.533 -178.317 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 12.7 t-80 -156.1 5.15 0.18 Allowed 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.375 -176.756 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 77.02 18.14 79.02 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.794 -0.717 . . . . 0.0 111.337 -172.892 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 16.6 p -129.84 147.15 51.58 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-O 120.854 0.359 . . . . 0.0 110.659 -175.291 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.536 ' C ' HD12 ' A' ' 76' ' ' LEU . 2.8 pp -156.29 159.97 31.08 Favored Pre-proline 0 C--N 1.321 -0.672 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 179.739 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.438 ' HG3' ' OE1' ' A' ' 28' ' ' GLN . 64.1 Cg_endo -86.92 177.28 4.12 Favored 'Trans proline' 0 N--CA 1.46 -0.487 0 C-N-CA 122.3 2.0 . . . . 0.0 112.665 -179.049 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -79.88 82.27 5.99 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.366 0.603 . . . . 0.0 110.974 -178.726 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.481 ' HB3' ' CD2' ' A' ' 81' ' ' PHE . 78.1 mt -95.47 115.56 27.6 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.305 179.17 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -75.0 38.0 0.12 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.054 175.337 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.481 ' CD2' ' HB3' ' A' ' 79' ' ' LEU . 21.9 m-85 -99.95 15.56 26.77 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-O 121.012 0.434 . . . . 0.0 110.386 -178.079 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.849 ' HA2' ' HG3' ' A' ' 85' ' ' ARG . . . -64.89 -15.1 59.71 Favored Glycine 0 C--O 1.226 -0.389 0 N-CA-C 111.347 -0.701 . . . . 0.0 111.347 175.468 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.42 ' HG3' ' HG ' ' A' ' 84' ' ' LEU . 24.1 ptt? -46.76 -29.36 1.88 Allowed 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 124.257 1.023 . . . . 0.0 113.032 178.536 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.42 ' HG ' ' HG3' ' A' ' 83' ' ' MET . 0.7 OUTLIER -126.14 12.05 7.67 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 112.786 0.661 . . . . 0.0 112.786 -175.277 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.849 ' HG3' ' HA2' ' A' ' 82' ' ' GLY . 30.8 mtm180 -74.97 97.32 3.34 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.413 -179.444 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 40.1 mtmt 62.65 15.6 8.16 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 121.353 0.597 . . . . 0.0 111.244 -178.918 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 63.4 mtm -126.69 12.61 7.4 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.767 177.039 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.891 0 CA-C-O 118.8 -1.0 . . . . 0.0 111.242 179.791 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 81.7 t80 . . . . . 0 N--CA 1.476 0.846 0 CA-C-O 121.439 0.638 . . . . 0.0 110.114 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 15.2 tp -139.61 107.45 5.67 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.011 179.184 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.406 ' HA ' HD23 ' A' ' 3' ' ' LEU . 29.0 mt -63.94 110.97 4.42 Favored Pre-proline 0 N--CA 1.447 -0.597 0 CA-C-O 120.926 0.393 . . . . 0.0 110.393 175.641 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.666 ' HB2' ' HB ' ' A' ' 7' ' ' THR . 52.1 Cg_exo -55.02 129.18 33.95 Favored 'Trans proline' 0 N--CA 1.461 -0.39 0 C-N-CA 123.02 2.48 . . . . 0.0 112.506 -174.672 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.444 ' HD2' ' HA ' ' A' ' 4' ' ' PRO . 5.7 Cg_endo -53.13 130.19 36.99 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 122.879 2.386 . . . . 0.0 112.087 177.56 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.9 m 68.27 14.61 9.24 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.167 179.747 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.666 ' HB ' ' HB2' ' A' ' 4' ' ' PRO . 24.8 m -123.77 91.7 3.52 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 172.55 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.43 ' O ' ' HG3' ' A' ' 32' ' ' GLN . . . -101.67 105.94 16.92 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.742 -169.829 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 34.5 t -144.23 66.53 1.27 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.603 0.716 . . . . 0.0 109.679 172.827 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 83.0 m -76.24 118.95 19.49 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.831 -179.9 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -95.33 2.12 54.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.436 0.636 . . . . 0.0 110.573 173.403 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -128.13 161.76 28.49 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.736 174.022 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 95.4 mt -137.78 139.91 40.3 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.319 -176.623 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.439 ' CE2' ' HB2' ' A' ' 16' ' ' LYS . 61.4 t80 -66.68 -44.0 82.97 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.825 177.916 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.435 HH11 ' HD2' ' A' ' 15' ' ' ARG . 62.3 mtt85 73.37 -38.1 0.4 Allowed 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 115.617 -0.719 . . . . 0.0 112.918 172.647 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.439 ' HB2' ' CE2' ' A' ' 14' ' ' TYR . 65.4 mttm -73.9 154.09 88.96 Favored Pre-proline 0 C--N 1.323 -0.585 0 N-CA-C 110.389 -0.226 . . . . 0.0 110.389 176.176 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_exo -70.85 143.78 46.49 Favored 'Trans proline' 0 N--CA 1.459 -0.515 0 C-N-CA 122.53 2.154 . . . . 0.0 111.836 176.148 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.904 ' HB3' HD11 ' A' ' 22' ' ' LEU . 70.1 mt -89.34 136.98 32.72 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.497 179.305 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.678 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 20.2 m -66.55 142.42 57.51 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.72 178.985 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.551 ' OD1' ' HE3' ' A' ' 71' ' ' LYS . 20.5 t70 -60.47 -29.52 69.09 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.168 0.508 . . . . 0.0 111.063 -176.555 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -56.78 -46.75 81.31 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.557 178.181 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.904 HD11 ' HB3' ' A' ' 18' ' ' LEU . 4.2 pp -75.85 -29.36 58.54 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.818 176.958 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.511 HD12 ' HA ' ' A' ' 20' ' ' ASP . 69.3 mt -60.39 -45.43 93.57 Favored 'General case' 0 C--O 1.223 -0.34 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.624 -177.481 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -60.96 0.03 0.26 Allowed 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 -178.197 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.619 ' NZ ' ' HA ' ' A' ' 22' ' ' LEU . 35.9 mtmm -113.54 -3.52 13.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.59 0.233 . . . . 0.0 111.164 177.254 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.732 HG22 ' HG ' ' A' ' 47' ' ' LEU . 22.4 t -76.72 94.63 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.452 0.644 . . . . 0.0 109.38 -179.594 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.425 ' CD1' ' HB2' ' A' ' 48' ' ' ALA . 42.0 pt -76.66 -25.34 16.0 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.885 0 CA-C-N 115.235 -0.893 . . . . 0.0 112.303 -169.868 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -137.61 146.18 43.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.867 0.365 . . . . 0.0 111.56 -176.386 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.6 t -113.85 120.21 63.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 174.654 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -112.07 132.99 54.5 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.018 0.437 . . . . 0.0 111.006 -171.515 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 41.2 tp -97.67 105.65 17.83 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.123 0.487 . . . . 0.0 110.03 176.682 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.452 ' O ' ' HA ' ' A' ' 41' ' ' GLN . 39.0 tt0 -71.04 104.43 3.0 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.31 174.758 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -77.48 141.67 39.54 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.498 -179.195 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.477 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . . . -82.24 4.45 23.52 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.542 -179.253 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -139.8 -42.42 0.44 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.994 179.82 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -67.9 -21.36 73.27 Favored Glycine 0 C--N 1.332 0.331 0 C-N-CA 121.053 -0.594 . . . . 0.0 113.196 -177.34 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -141.95 -65.48 0.42 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.373 0.606 . . . . 0.0 110.164 -178.005 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 17.2 t -99.47 -171.03 1.99 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.485 -174.388 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 45.3 p-80 -106.0 -4.65 20.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.308 0.575 . . . . 0.0 109.577 172.816 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.4 tt -128.42 138.92 52.55 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.213 -0.903 . . . . 0.0 108.744 -179.669 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.477 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 29.0 tt0 -94.58 131.37 40.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.133 0.492 . . . . 0.0 111.23 -177.818 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.707 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -142.25 170.36 15.86 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.055 -177.791 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.402 ' O ' ' HB ' ' A' ' 54' ' ' ILE . 2.7 m-85 -121.7 103.49 8.92 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 173.663 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.464 HG13 ' O ' ' A' ' 52' ' ' ILE . 73.8 t -102.64 138.92 25.1 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 CA-C-O 121.195 0.521 . . . . 0.0 111.125 -171.704 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.526 HD12 HD12 ' A' ' 18' ' ' LEU . 72.4 mt -105.7 125.27 50.79 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.642 -177.299 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.409 ' HD2' ' HA ' ' A' ' 48' ' ' ALA . 0.6 OUTLIER -105.5 111.97 24.88 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.668 -175.911 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.815 ' HB2' ' HB2' ' A' ' 50' ' ' ARG . 6.1 mp -96.04 12.09 31.78 Favored 'General case' 0 CA--C 1.506 -0.725 0 CA-C-N 115.193 -0.912 . . . . 0.0 109.011 179.301 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.425 ' HB2' ' CD1' ' A' ' 27' ' ' ILE . . . 80.96 -65.32 0.15 Allowed 'General case' 0 C--N 1.305 -1.36 0 CA-C-N 112.614 -2.085 . . . . 0.0 109.973 172.116 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -79.51 -22.09 44.43 Favored 'General case' 0 C--N 1.311 -1.105 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 173.607 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.815 ' HB2' ' HB2' ' A' ' 47' ' ' LEU . 72.9 mtt180 -120.1 154.85 34.1 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 115.604 -0.726 . . . . 0.0 111.659 178.599 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.1 m -142.23 124.1 15.22 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 173.613 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.464 ' O ' HG13 ' A' ' 44' ' ' VAL . 67.8 mt -123.14 140.37 47.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.252 -175.954 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.415 ' HA ' HG22 ' A' ' 44' ' ' VAL . 63.1 m -101.35 121.51 42.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.543 0.687 . . . . 0.0 111.184 -173.185 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.402 ' HB ' ' O ' ' A' ' 43' ' ' PHE . 49.0 mt -130.7 148.44 33.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.04 -0.982 . . . . 0.0 109.404 -178.755 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 5.3 p80 -99.7 155.89 35.98 Favored Pre-proline 0 C--N 1.328 -0.336 0 O-C-N 121.781 -0.574 . . . . 0.0 110.161 178.044 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.707 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 62.2 Cg_exo -50.57 147.24 17.85 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 123.202 2.601 . . . . 0.0 112.638 177.258 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 67.4 mt-30 70.95 29.54 2.99 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.28 175.843 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -97.47 134.78 22.18 Favored Pre-proline 0 C--N 1.326 -0.415 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 171.696 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.42 ' O ' ' HG3' ' A' ' 63' ' ' GLN . 73.1 Cg_exo -49.26 -36.95 38.76 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 123.061 2.508 . . . . 0.0 113.148 -177.665 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.3 t -67.84 -37.87 82.45 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.726 -0.216 . . . . 0.0 111.029 -176.227 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.28 -47.04 59.34 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 -176.902 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 25.1 m -61.29 -48.14 82.75 Favored 'General case' 0 C--O 1.242 0.68 0 CA-C-O 121.043 0.449 . . . . 0.0 111.222 178.997 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.42 ' HG3' ' O ' ' A' ' 59' ' ' PRO . 46.2 mt-30 -61.57 -33.16 73.4 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.375 178.833 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.445 ' CZ2' ' HB ' ' A' ' 26' ' ' VAL . 14.1 t-105 -65.67 -35.98 82.34 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.696 179.343 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -53.44 -46.22 69.75 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.902 0.382 . . . . 0.0 110.746 176.007 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.463 ' O ' ' HB3' ' A' ' 69' ' ' GLU . 46.0 mt-10 -81.05 -36.94 29.87 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-O 121.3 0.571 . . . . 0.0 111.106 -178.269 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 8.6 m170 -65.88 -44.93 83.89 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.806 -179.307 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -63.33 -29.78 71.03 Favored 'General case' 0 CA--C 1.521 -0.167 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 178.948 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.463 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 12.5 tp10 -55.75 -32.24 63.24 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.575 178.872 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 21.6 ptt180 -111.95 10.66 20.59 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 112.492 0.552 . . . . 0.0 112.492 -178.744 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.551 ' HE3' ' OD1' ' A' ' 20' ' ' ASP . 59.3 mttm -124.59 -149.08 0.41 Allowed 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 -177.196 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.494 HD22 ' N ' ' A' ' 72' ' ' LEU . 2.5 mm? 56.52 -83.28 0.01 OUTLIER 'General case' 0 C--N 1.35 0.618 0 C-N-CA 123.516 0.726 . . . . 0.0 111.802 -171.668 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.424 ' HB2' ' O ' ' A' ' 72' ' ' LEU . 17.7 t-160 172.78 21.83 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 -177.509 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 80.87 -6.19 63.1 Favored Glycine 0 N--CA 1.45 -0.4 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 -169.956 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.2 p -85.01 108.96 17.86 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 115.241 -0.479 . . . . 0.0 110.678 178.917 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.418 HD21 HD23 ' A' ' 72' ' ' LEU . 72.7 mt -144.54 154.27 56.16 Favored Pre-proline 0 C--N 1.319 -0.731 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 -177.902 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -81.5 166.59 17.73 Favored 'Trans proline' 0 N--CA 1.45 -1.034 0 C-N-CA 122.339 2.026 . . . . 0.0 111.365 178.282 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -77.64 71.06 4.1 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.803 0.811 . . . . 0.0 111.258 -176.466 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 55.0 mt -78.02 108.71 11.5 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.586 179.556 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -89.72 27.94 1.43 Allowed 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.587 0.708 . . . . 0.0 109.489 173.492 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.566 ' HA ' ' SD ' ' A' ' 83' ' ' MET . 93.5 m-85 -97.84 39.56 1.21 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.609 -175.943 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -73.18 -14.63 78.95 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.073 179.77 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.566 ' SD ' ' HA ' ' A' ' 81' ' ' PHE . 0.0 OUTLIER -71.46 -11.07 60.69 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.835 0.35 . . . . 0.0 110.777 -179.598 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.5 ' O ' HD13 ' A' ' 84' ' ' LEU . 0.7 OUTLIER -88.66 -21.21 24.07 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.432 0.634 . . . . 0.0 109.441 179.075 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -73.73 136.37 43.68 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.802 -177.379 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? 76.18 -13.49 0.9 Allowed 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 114.827 -1.079 . . . . 0.0 110.964 -178.772 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 25.3 mmt -69.14 -36.8 77.84 Favored 'General case' 0 CA--C 1.513 -0.447 0 N-CA-C 107.821 -1.178 . . . . 0.0 107.821 167.417 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.085 0 CA-C-N 114.242 -1.345 . . . . 0.0 110.65 171.943 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 77.4 t80 . . . . . 0 N--CA 1.481 1.12 0 CA-C-O 120.399 0.142 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.1 pp -66.77 140.77 57.87 Favored 'General case' 0 C--O 1.236 0.36 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 179.356 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.405 HD13 ' HA ' ' A' ' 3' ' ' LEU . 4.1 mm? -81.06 118.33 71.91 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.581 -178.972 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.431 ' C ' ' H ' ' A' ' 6' ' ' SER . 24.3 Cg_exo -63.43 138.47 65.71 Favored 'Trans proline' 0 N--CA 1.464 -0.261 0 C-N-CA 122.988 2.459 . . . . 0.0 111.701 178.938 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -72.58 23.24 0.28 Allowed 'Trans proline' 0 N--CA 1.475 0.385 0 C-N-CA 123.15 2.566 . . . . 0.0 113.575 -176.78 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.431 ' H ' ' C ' ' A' ' 4' ' ' PRO . 57.1 m -154.14 20.73 0.5 Allowed 'General case' 0 C--N 1.306 -1.307 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.526 179.672 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 27.3 m -142.96 78.33 1.6 Allowed 'General case' 0 N--CA 1.447 -0.59 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 178.794 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.434 ' HB1' ' HB2' ' A' ' 32' ' ' GLN . . . -78.82 86.45 4.74 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.64 -177.574 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 22.2 t -149.12 75.9 1.31 Allowed 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.315 -0.857 . . . . 0.0 108.982 174.027 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.417 ' SG ' ' NE2' ' A' ' 12' ' ' GLN . 0.9 OUTLIER -83.52 123.29 29.59 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 114.659 -1.155 . . . . 0.0 109.684 -178.571 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.1 p -76.56 -15.16 59.93 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.066 -0.515 . . . . 0.0 112.113 -175.636 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.417 ' NE2' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -143.04 165.32 27.69 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.926 0.393 . . . . 0.0 110.923 -178.083 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.508 HD13 ' HB3' ' A' ' 55' ' ' HIS . 87.3 mt -129.79 144.96 51.56 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.523 -178.095 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.448 ' O ' ' HB3' ' A' ' 15' ' ' ARG . 19.4 t80 -71.79 -37.38 70.42 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.894 -0.322 . . . . 0.0 110.732 -176.84 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.448 ' HB3' ' O ' ' A' ' 14' ' ' TYR . 43.6 ttt180 74.82 -42.38 0.49 Allowed 'General case' 0 N--CA 1.468 0.47 0 O-C-N 123.729 0.643 . . . . 0.0 112.209 173.193 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -69.74 152.46 96.12 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 122.416 -0.178 . . . . 0.0 110.543 176.302 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -68.01 144.14 62.84 Favored 'Trans proline' 0 N--CA 1.461 -0.427 0 C-N-CA 122.084 1.856 . . . . 0.0 110.658 170.385 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.889 ' HB3' HD11 ' A' ' 22' ' ' LEU . 60.0 mt -87.55 142.09 28.11 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.897 0.379 . . . . 0.0 111.479 -174.559 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.532 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 49.6 m -66.1 145.01 56.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.393 -179.372 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -62.56 -34.74 77.56 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.822 -175.773 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.417 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 28.9 mtpp -62.6 -45.66 91.87 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.969 -177.269 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.889 HD11 ' HB3' ' A' ' 18' ' ' LEU . 4.7 pp -74.03 -27.78 61.11 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 121.003 -0.279 . . . . 0.0 110.767 177.88 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 19' ' ' SER . 66.1 mt -62.97 -45.49 92.17 Favored 'General case' 0 C--O 1.224 -0.248 0 CA-C-O 120.472 0.177 . . . . 0.0 111.292 179.938 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.6 ' HB3' ' HD3' ' A' ' 71' ' ' LYS . 16.4 ptp180 -67.49 4.96 0.87 Allowed 'General case' 0 CA--C 1.536 0.435 0 CA-C-O 120.804 0.335 . . . . 0.0 111.726 179.614 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -118.92 11.68 12.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.032 176.282 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 37.8 t -79.04 144.19 11.4 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 CA-C-N 116.323 -0.399 . . . . 0.0 109.986 177.222 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.418 HG12 ' O ' ' A' ' 46' ' ' HIS . 25.3 pt -110.48 -35.2 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 C-N-CA 120.508 -0.477 . . . . 0.0 112.277 -177.023 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.831 HE21 ' HA ' ' A' ' 28' ' ' GLN . 0.0 OUTLIER -145.86 157.64 43.9 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.952 0.406 . . . . 0.0 111.585 -177.194 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.577 ' HB ' ' HG3' ' A' ' 77' ' ' PRO . 45.3 t -120.35 121.59 66.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 173.501 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -114.97 157.12 23.85 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.631 0.253 . . . . 0.0 111.289 -171.353 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.505 HD13 ' CE2' ' A' ' 43' ' ' PHE . 48.6 tp -119.56 116.19 25.54 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 121.28 0.562 . . . . 0.0 111.038 179.381 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.434 ' HB2' ' HB1' ' A' ' 8' ' ' ALA . 44.5 tt0 -94.54 116.39 28.72 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.028 -0.987 . . . . 0.0 109.223 173.094 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -79.87 154.62 28.25 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.878 0.371 . . . . 0.0 111.593 -174.516 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.738 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . . . -82.89 12.37 4.96 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.885 -0.598 . . . . 0.0 112.053 -174.556 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -170.77 12.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.105 0.478 . . . . 0.0 110.272 179.218 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -93.16 -90.95 1.55 Allowed Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.662 -0.78 . . . . 0.0 111.603 -179.07 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -96.97 7.19 47.19 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.134 0.493 . . . . 0.0 110.415 179.68 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.9 t -164.01 177.41 8.51 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.838 179.325 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 70.0 t60 -88.27 -41.61 12.8 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -177.211 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.646 HD13 ' H ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -102.19 154.25 19.19 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.467 -0.493 . . . . 0.0 110.881 -179.169 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.738 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 36.7 tt0 -93.69 130.28 39.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.15 -177.444 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.481 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -147.1 127.9 14.36 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.14 0.495 . . . . 0.0 111.534 -177.206 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.55 ' HB3' ' HG ' ' A' ' 61' ' ' LEU . 0.7 OUTLIER -88.96 109.82 20.58 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 170.197 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.0 t -97.02 126.24 49.83 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.205 -170.206 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.841 HD12 HD12 ' A' ' 18' ' ' LEU . 29.6 mt -92.71 108.33 19.9 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.859 0.838 . . . . 0.0 109.419 175.911 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.418 ' O ' HG12 ' A' ' 27' ' ' ILE . 3.7 t60 -95.91 111.76 23.67 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.441 -170.36 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.416 ' HB2' ' O ' ' A' ' 50' ' ' ARG . 6.2 mp -94.61 157.43 15.98 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 172.303 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.55 -12.71 55.42 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.834 0.35 . . . . 0.0 111.586 -177.992 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -106.46 -37.24 6.55 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.277 -175.168 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.416 ' O ' ' HB2' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -160.63 154.37 22.48 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.342 177.608 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 6.9 m -98.89 134.99 40.97 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.479 178.222 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.596 HG21 HD21 ' A' ' 18' ' ' LEU . 53.9 mt -112.98 128.96 69.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 177.532 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 56.9 m -102.25 126.21 49.18 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.698 0.761 . . . . 0.0 111.349 -172.415 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -124.28 146.75 29.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 114.919 -1.037 . . . . 0.0 109.839 -177.73 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.508 ' HB3' HD13 ' A' ' 13' ' ' LEU . 3.5 p80 -83.81 138.88 40.34 Favored Pre-proline 0 C--N 1.327 -0.412 0 C-N-CA 119.795 -0.762 . . . . 0.0 109.301 173.204 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.481 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 70.9 Cg_exo -50.54 -24.21 12.14 Favored 'Trans proline' 0 N--CA 1.48 0.716 0 C-N-CA 123.678 2.918 . . . . 0.0 114.237 -174.082 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.45 ' HB2' ' CE1' ' A' ' 55' ' ' HIS . 23.2 mp0 -80.8 7.77 9.67 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.257 -178.028 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.46 ' HA ' ' HD2' ' A' ' 59' ' ' PRO . 47.5 t-20 -90.62 121.34 68.4 Favored Pre-proline 0 C--N 1.329 -0.288 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 176.452 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.46 ' HD2' ' HA ' ' A' ' 58' ' ' ASN . 3.5 Cg_endo -48.47 -35.05 27.56 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 123.853 3.035 . . . . 0.0 113.156 178.763 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.2 m -60.0 -31.67 70.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.229 -0.441 . . . . 0.0 112.054 -173.768 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.55 ' HG ' ' HB3' ' A' ' 43' ' ' PHE . 0.8 OUTLIER -69.28 -44.16 72.39 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-O 120.663 0.268 . . . . 0.0 110.402 -178.165 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.448 ' HA ' ' CD2' ' A' ' 65' ' ' PHE . 41.2 t -70.7 -49.36 47.89 Favored 'General case' 0 C--O 1.24 0.6 0 CA-C-O 121.352 0.596 . . . . 0.0 110.869 -178.001 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -60.45 -27.3 67.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.246 177.564 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.495 ' CE2' ' HB3' ' A' ' 68' ' ' GLN . 22.8 t-105 -65.44 -36.65 84.56 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.868 176.282 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.813 ' HA ' HE21 ' A' ' 68' ' ' GLN . 26.3 m-85 -53.37 -46.91 69.8 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.078 0.466 . . . . 0.0 109.97 176.204 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.495 ' O ' ' HB3' ' A' ' 69' ' ' GLU . 41.5 mt-10 -65.81 -45.98 80.31 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 121.897 0.856 . . . . 0.0 110.935 178.385 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.587 ' O ' ' HG3' ' A' ' 71' ' ' LYS . 35.9 m80 -76.69 -24.71 53.17 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.732 -0.667 . . . . 0.0 112.418 -170.881 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.813 HE21 ' HA ' ' A' ' 65' ' ' PHE . 29.8 pt20 -79.63 -18.61 51.13 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.293 -0.563 . . . . 0.0 110.035 175.527 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.495 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 12.3 tp10 -65.38 -27.85 68.86 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 170.876 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.3 ptp180 -108.94 1.69 20.89 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 112.273 0.472 . . . . 0.0 112.273 179.176 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.6 ' HD3' ' HB3' ' A' ' 24' ' ' ARG . 71.6 mttt -119.3 -170.5 1.94 Allowed 'General case' 0 CA--C 1.515 -0.38 0 O-C-N 122.063 -0.398 . . . . 0.0 110.223 174.077 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.3 mt 56.88 -76.71 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.456 0 O-C-N 124.321 1.013 . . . . 0.0 111.927 177.578 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 21.3 t-80 -170.87 10.16 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 -175.28 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 78.12 40.37 20.68 Favored Glycine 0 N--CA 1.449 -0.491 0 N-CA-C 110.684 -0.967 . . . . 0.0 110.684 -169.987 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.5 p -113.63 132.89 55.59 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-O 120.692 0.282 . . . . 0.0 110.772 -175.383 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.566 ' C ' HD12 ' A' ' 76' ' ' LEU . 4.1 pp -164.62 153.0 10.86 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.459 -178.015 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.577 ' HG3' ' HB ' ' A' ' 29' ' ' VAL . 74.9 Cg_endo -77.53 112.94 3.43 Favored 'Trans proline' 0 N--CA 1.46 -0.5 0 C-N-CA 122.18 1.92 . . . . 0.0 112.052 178.554 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.559 ' HA ' ' OXT' ' A' ' 88' ' ' GLY . 94.3 mttt -83.27 94.94 8.02 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.073 -178.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.467 HD13 ' CE2' ' A' ' 81' ' ' PHE . 0.4 OUTLIER -149.52 21.3 0.93 Allowed 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.529 0.566 . . . . 0.0 112.529 -176.2 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.438 ' HA ' ' HB2' ' A' ' 84' ' ' LEU . 43.6 m-80 8.79 99.19 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.378 0 O-C-N 125.062 1.476 . . . . 0.0 114.893 174.2 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.673 ' H ' HD23 ' A' ' 84' ' ' LEU . 35.0 m-85 -106.58 20.09 19.51 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 122.341 -0.224 . . . . 0.0 111.574 177.665 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 95.35 -36.08 3.98 Favored Glycine 0 C--O 1.228 -0.28 0 C-N-CA 120.543 -0.836 . . . . 0.0 112.385 -179.483 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.26 14.26 32.53 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.319 0.58 . . . . 0.0 110.544 178.042 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 1.05 HD12 ' HA3' ' A' ' 88' ' ' GLY . 1.4 mm? -84.21 6.15 23.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.775 -179.552 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 19.6 mmm180 58.11 26.31 13.5 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-O 121.617 0.722 . . . . 0.0 111.309 175.691 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 16.3 ttmm 48.31 21.92 0.4 Allowed 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 114.079 -1.419 . . . . 0.0 112.285 -176.848 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 24.0 ptp -116.24 -1.12 12.44 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 121.886 -0.509 . . . . 0.0 109.71 177.903 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 1.05 ' HA3' HD12 ' A' ' 84' ' ' LEU . . . . . . . . 0 C--O 1.256 1.486 0 CA-C-O 118.064 -1.409 . . . . 0.0 111.102 178.681 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 42.4 p90 . . . . . 0 N--CA 1.478 0.948 0 CA-C-O 121.17 0.509 . . . . 0.0 110.446 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.637 ' O ' ' HD3' ' A' ' 4' ' ' PRO . 9.4 tt -120.66 139.36 53.13 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 176.56 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.435 HD13 ' HA ' ' A' ' 3' ' ' LEU . 4.1 mm? -87.73 106.34 11.47 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-O 120.868 0.366 . . . . 0.0 110.64 -178.827 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.637 ' HD3' ' O ' ' A' ' 2' ' ' LEU . 19.4 Cg_exo -66.04 152.41 81.37 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 123.143 2.562 . . . . 0.0 112.111 179.914 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.652 ' HA ' ' HE1' ' A' ' 46' ' ' HIS . 51.2 Cg_exo -54.77 123.5 13.88 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.964 2.443 . . . . 0.0 112.523 -179.742 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.8 t 71.72 10.93 6.38 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.61 177.514 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 22.8 m -121.45 90.54 3.33 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 177.562 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -140.19 86.8 2.1 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-O 121.243 0.544 . . . . 0.0 111.956 -175.494 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.686 ' HA ' ' HB2' ' A' ' 38' ' ' CYS . 48.6 t -105.02 88.29 2.84 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 107.626 -1.249 . . . . 0.0 107.626 168.313 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.637 ' O ' HD21 ' A' ' 40' ' ' LEU . 59.8 m -69.37 118.37 12.17 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.84 -1.073 . . . . 0.0 112.023 -171.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 25.4 p -98.0 11.62 36.93 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.581 170.818 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -158.86 160.92 36.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.392 -179.073 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.407 HD13 ' HB2' ' A' ' 55' ' ' HIS . 77.1 mt -136.59 137.27 39.98 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 177.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.442 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 48.0 t80 -65.52 -43.79 88.95 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 -174.672 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.447 ' HA ' ' OD1' ' A' ' 58' ' ' ASN . 73.8 mtt180 75.69 -26.9 0.19 Allowed 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 113.593 0.96 . . . . 0.0 113.593 174.203 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -101.29 165.59 13.85 Favored Pre-proline 0 C--N 1.321 -0.643 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -172.15 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.509 ' HA ' ' HB2' ' A' ' 60' ' ' SER . 13.0 Cg_exo -72.18 120.88 7.08 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 123.151 2.567 . . . . 0.0 111.703 172.653 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.651 HD21 HG21 ' A' ' 52' ' ' ILE . 6.0 mp -75.49 156.75 34.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.7 0.286 . . . . 0.0 110.245 179.554 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.658 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 20.8 m -64.68 129.86 41.41 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.825 179.742 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.547 ' OD1' ' HE3' ' A' ' 71' ' ' LYS . 21.0 t70 -61.27 -28.34 69.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.181 0.515 . . . . 0.0 110.748 -178.07 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.438 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 93.0 mttt -57.5 -47.53 81.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.866 177.615 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.658 ' HG ' ' O ' ' A' ' 19' ' ' SER . 4.5 pp -75.83 -27.5 57.9 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.994 -0.282 . . . . 0.0 110.583 177.069 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.669 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 61.5 mt -60.78 -47.29 86.98 Favored 'General case' 0 C--O 1.226 -0.176 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.202 -179.156 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.438 ' HG2' ' O ' ' A' ' 21' ' ' LYS . 37.5 ptt180 -62.9 -1.9 1.04 Allowed 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -179.544 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.428 ' HE2' ' HA ' ' A' ' 22' ' ' LEU . 48.3 mtmt -110.18 0.35 18.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.694 0.283 . . . . 0.0 111.034 178.537 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.546 ' O ' ' HG ' ' A' ' 72' ' ' LEU . 48.7 t -75.79 107.21 6.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 177.788 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 18.9 pt -67.55 -36.42 76.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.996 -174.471 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 39.4 mm-40 -155.63 158.64 38.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.124 0.488 . . . . 0.0 111.645 -177.021 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.475 HG11 HE22 ' A' ' 68' ' ' GLN . 30.0 m -106.96 151.25 8.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.463 172.796 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.56 ' CG ' ' HB ' ' A' ' 44' ' ' VAL . 15.1 pt-20 -134.43 135.54 42.62 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.278 0.561 . . . . 0.0 110.647 179.728 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 38.1 tp -96.17 111.03 23.2 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.952 177.66 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.503 ' NE2' ' HB3' ' A' ' 38' ' ' CYS . 0.1 OUTLIER -83.78 106.88 15.82 Favored 'General case' 0 N--CA 1.444 -0.749 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 176.962 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.428 ' HB2' ' HA3' ' A' ' 36' ' ' GLY . 31.8 mt-10 -64.89 154.01 38.6 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.868 -175.166 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.69 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . . . -76.71 22.29 0.18 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.848 0.356 . . . . 0.0 111.815 -173.878 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.416 ' H ' ' C ' ' A' ' 33' ' ' GLU . 4.9 p-10 179.69 -2.09 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.766 -177.095 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.428 ' HA3' ' HB2' ' A' ' 33' ' ' GLU . . . -80.69 -3.68 90.28 Favored Glycine 0 C--N 1.331 0.265 0 C-N-CA 121.11 -0.567 . . . . 0.0 112.838 -175.84 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -171.3 -43.4 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.394 0.616 . . . . 0.0 109.439 178.32 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.686 ' HB2' ' HA ' ' A' ' 9' ' ' CYS . 11.2 t -127.44 160.38 31.62 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.33 -0.85 . . . . 0.0 108.815 177.682 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -74.59 4.96 5.3 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 113.247 0.832 . . . . 0.0 113.247 -173.566 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.637 HD21 ' O ' ' A' ' 10' ' ' CYS . 3.2 pp -131.33 153.76 49.27 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 120.737 -0.385 . . . . 0.0 111.093 -179.507 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.69 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 9.0 tt0 -90.49 134.34 34.43 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.848 178.947 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.455 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -146.33 151.13 37.01 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.091 0.472 . . . . 0.0 111.308 -178.76 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.584 ' O ' ' HB ' ' A' ' 54' ' ' ILE . 3.0 m-85 -107.27 100.93 10.35 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 172.68 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.56 ' HB ' ' CG ' ' A' ' 30' ' ' GLU . 39.3 t -95.69 132.01 40.96 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.998 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.388 -172.833 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.422 HD21 ' CD2' ' A' ' 61' ' ' LEU . 51.4 mt -93.02 117.07 29.66 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.2 0.524 . . . . 0.0 109.663 -179.944 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.652 ' HE1' ' HA ' ' A' ' 5' ' ' PRO . 14.0 t60 -102.41 108.14 19.37 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.486 -167.416 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.455 ' HG ' ' HA ' ' A' ' 26' ' ' VAL . 6.1 mp -98.35 169.98 9.18 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 173.131 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -78.78 0.7 25.87 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.007 0.432 . . . . 0.0 111.377 -171.767 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -131.38 -8.35 3.73 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.165 -177.793 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 12.6 ptp180 -171.44 166.59 6.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.792 0.329 . . . . 0.0 111.49 -169.672 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.9 m -138.6 124.23 19.66 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.776 178.371 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.651 HG21 HD21 ' A' ' 18' ' ' LEU . 4.5 mp -102.08 136.96 31.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 178.329 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 49.5 t -101.09 136.19 41.33 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.665 0.745 . . . . 0.0 111.072 -173.445 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.584 ' HB ' ' O ' ' A' ' 43' ' ' PHE . 1.2 mt -134.03 143.78 37.37 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.833 0 CA-C-N 114.938 -1.028 . . . . 0.0 111.346 -171.724 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.672 ' O ' ' HB2' ' A' ' 58' ' ' ASN . 26.6 t-80 -69.61 135.2 88.28 Favored Pre-proline 0 C--O 1.217 -0.617 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 173.573 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 82.4 Cg_exo -45.75 -46.35 15.38 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.172 1.915 . . . . 0.0 112.224 178.619 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.634 HE22 ' HA3' ' A' ' 88' ' ' GLY . 28.2 mm-40 -86.94 83.05 7.59 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 168.307 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.672 ' HB2' ' O ' ' A' ' 55' ' ' HIS . 6.7 t30 -132.36 133.58 23.88 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.225 179.351 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 58' ' ' ASN . 50.9 Cg_exo -55.2 -28.18 60.29 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 123.249 2.633 . . . . 0.0 113.05 -178.792 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.509 ' HB2' ' HA ' ' A' ' 17' ' ' PRO . 4.2 t -77.59 -33.9 53.71 Favored 'General case' 0 C--O 1.222 -0.384 0 C-N-CA 120.63 -0.428 . . . . 0.0 111.149 179.775 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.568 HD23 HG21 ' A' ' 54' ' ' ILE . 0.3 OUTLIER -77.21 -48.52 17.35 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.436 0.16 . . . . 0.0 111.285 -168.066 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.0 t -59.81 -50.04 75.34 Favored 'General case' 0 C--O 1.242 0.675 0 CA-C-O 121.318 0.58 . . . . 0.0 110.02 -179.254 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -61.19 -31.49 71.25 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.423 175.624 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.669 ' CZ3' ' HB3' ' A' ' 23' ' ' LEU . 7.3 t-105 -66.16 -36.38 82.95 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 120.871 -0.331 . . . . 0.0 110.565 -178.119 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.805 ' HE2' ' HB2' ' A' ' 81' ' ' PHE . 2.7 m-85 -58.47 -39.44 79.98 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.694 175.745 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.505 ' O ' ' HB3' ' A' ' 69' ' ' GLU . 21.4 mm-40 -75.56 -39.26 58.46 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.251 0.548 . . . . 0.0 111.231 177.27 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.42 ' HB2' ' HE3' ' A' ' 64' ' ' TRP . 10.0 m170 -68.28 -41.6 80.77 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.232 -179.609 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.503 ' HB2' HD21 ' A' ' 72' ' ' LEU . 3.2 pt20 -68.63 -25.02 64.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.962 0.411 . . . . 0.0 110.163 179.027 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.505 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 21.7 tp10 -59.16 -32.65 70.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.595 175.039 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.6 ptp180 -113.54 19.76 16.58 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.675 -177.849 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.547 ' HE3' ' OD1' ' A' ' 20' ' ' ASP . 42.9 mttm -141.61 -169.35 2.87 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 119.515 -0.278 . . . . 0.0 110.429 177.959 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.605 HD11 ' CH2' ' A' ' 64' ' ' TRP . 0.0 OUTLIER 16.16 60.81 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.246 0 N-CA-C 114.991 1.478 . . . . 0.0 114.991 -173.483 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 8.4 t-160 70.09 -13.58 0.42 Allowed 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 170.615 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 69.85 33.8 71.04 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 121.216 -0.516 . . . . 0.0 112.305 -178.109 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.9 p -109.81 122.26 47.1 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.784 0.326 . . . . 0.0 111.49 -177.351 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 45.2 mt -140.65 155.23 69.59 Favored Pre-proline 0 N--CA 1.441 -0.912 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 -178.7 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_exo -46.12 143.26 7.66 Favored 'Trans proline' 0 C--N 1.327 -0.575 0 C-N-CA 123.664 2.909 . . . . 0.0 113.29 170.115 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -83.18 89.84 7.01 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.99 0.424 . . . . 0.0 110.346 176.11 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.1 pp -142.84 29.27 1.53 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.509 -178.629 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 50.1 70.56 0.49 Allowed 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 122.653 1.215 . . . . 0.0 110.26 -179.808 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.805 ' HB2' ' HE2' ' A' ' 65' ' ' PHE . 5.2 p90 -85.85 13.59 7.16 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 114.176 -1.375 . . . . 0.0 111.75 -171.425 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.453 ' HA2' ' HG2' ' A' ' 85' ' ' ARG . . . -79.37 -5.7 89.12 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.927 -0.654 . . . . 0.0 111.512 174.732 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.457 ' HG3' ' HG ' ' A' ' 84' ' ' LEU . 26.0 ptt? -73.96 -7.97 54.38 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -179.041 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.457 ' HG ' ' HG3' ' A' ' 83' ' ' MET . 54.1 mt -123.36 24.0 8.84 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.916 0.388 . . . . 0.0 111.318 -176.468 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.49 ' HD2' ' OE2' ' A' ' 66' ' ' GLU . 11.8 mmt180 -86.31 73.75 10.12 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.879 0.371 . . . . 0.0 110.771 -178.335 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 34.5 ttmt 68.5 18.24 8.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.363 -179.125 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -73.27 -9.35 58.62 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.521 0.677 . . . . 0.0 109.407 168.943 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.634 ' HA3' HE22 ' A' ' 57' ' ' GLN . . . . . . . . 0 N--CA 1.442 -0.924 0 N-CA-C 110.379 -1.088 . . . . 0.0 110.379 176.016 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 37.7 t80 . . . . . 0 N--CA 1.479 1.021 0 CA-C-O 121.2 0.524 . . . . 0.0 110.521 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 9.3 tt -80.32 114.47 19.25 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 173.805 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.568 ' HB2' ' HB2' ' A' ' 51' ' ' SER . 3.9 mm? -65.74 114.44 16.13 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 116.539 -0.301 . . . . 0.0 110.314 176.531 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.781 ' HB2' ' HB ' ' A' ' 7' ' ' THR . 27.8 Cg_exo -62.2 143.63 94.58 Favored 'Trans proline' 0 N--CA 1.463 -0.284 0 C-N-CA 122.766 2.311 . . . . 0.0 111.5 179.517 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 4' ' ' PRO . 52.6 Cg_exo -55.19 115.11 2.21 Favored 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 123.137 2.558 . . . . 0.0 112.81 -176.781 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.7 m 67.87 19.75 9.44 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.912 179.743 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.781 ' HB ' ' HB2' ' A' ' 4' ' ' PRO . 5.6 m -126.32 40.26 3.77 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 122.106 0.955 . . . . 0.0 108.833 177.193 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.441 ' HA ' HD12 ' A' ' 3' ' ' LEU . . . -82.85 92.91 7.37 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 114.851 -1.068 . . . . 0.0 111.074 -176.034 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 80.5 m -116.56 82.03 1.72 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.351 173.695 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 62.0 m -65.17 120.17 12.21 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.625 -0.716 . . . . 0.0 112.602 -176.61 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.2 p -108.35 6.6 26.57 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.922 168.117 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -145.8 152.95 40.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.041 -0.981 . . . . 0.0 110.288 -179.501 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 60.3 mt -132.45 132.85 43.16 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 179.779 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -63.48 -40.8 98.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.383 -174.158 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 11.1 mmm180 70.95 -53.16 0.68 Allowed 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.594 0.758 . . . . 0.0 112.438 178.754 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -62.23 139.04 96.22 Favored Pre-proline 0 C--N 1.327 -0.38 0 O-C-N 123.216 0.322 . . . . 0.0 111.391 -178.76 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -61.31 126.58 19.67 Favored 'Trans proline' 0 C--O 1.237 0.435 0 C-N-CA 122.98 2.453 . . . . 0.0 112.012 177.27 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.632 HD12 HD12 ' A' ' 45' ' ' LEU . 62.0 mt -73.82 153.02 40.11 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.818 -179.736 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.622 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 17.9 m -82.06 140.47 33.86 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.834 -179.691 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.558 ' HA ' HD12 ' A' ' 23' ' ' LEU . 9.0 t0 -63.71 -29.07 70.34 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.597 -177.545 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.595 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 65.2 mttm -61.09 -45.43 94.76 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.238 179.707 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.622 ' HG ' ' O ' ' A' ' 19' ' ' SER . 4.6 pp -73.84 -25.17 59.94 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.175 177.144 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.558 HD12 ' HA ' ' A' ' 20' ' ' ASP . 67.7 mt -61.0 -36.6 79.9 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.511 179.667 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.733 ' HB3' ' HD3' ' A' ' 71' ' ' LYS . 12.6 ptm180 -65.03 -4.56 4.82 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-O 121.293 0.568 . . . . 0.0 111.459 177.705 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.525 ' HD3' ' HA ' ' A' ' 22' ' ' LEU . 51.0 mtpt -108.69 1.22 21.03 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.527 -176.645 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.583 HG22 ' HG ' ' A' ' 47' ' ' LEU . 52.6 t -79.57 143.84 11.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 174.514 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.552 HD11 ' HD2' ' A' ' 46' ' ' HIS . 5.0 pt -104.47 -37.63 4.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 C-N-CA 120.155 -0.618 . . . . 0.0 111.694 -178.588 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -154.88 157.84 38.43 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-O 120.691 0.282 . . . . 0.0 111.027 178.837 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.495 HG13 HD23 ' A' ' 45' ' ' LEU . 20.5 t -100.7 126.59 54.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 174.55 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.471 ' HG3' ' HB ' ' A' ' 44' ' ' VAL . 15.1 pt-20 -117.5 126.09 52.0 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.604 0.716 . . . . 0.0 111.263 -176.524 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 41.5 tp -90.05 117.65 29.0 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.848 179.404 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.448 ' HB3' ' HB3' ' A' ' 42' ' ' ALA . 50.7 tt0 -78.64 107.27 11.2 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 173.229 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -64.66 148.48 50.89 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.95 179.264 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.715 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . . . -80.72 25.21 0.44 Allowed 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -170.921 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 31.5 t70 178.32 -37.84 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.737 -0.211 . . . . 0.0 110.756 -175.508 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -48.98 -43.87 31.68 Favored Glycine 0 C--N 1.336 0.539 0 O-C-N 123.832 0.708 . . . . 0.0 113.558 -176.901 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -108.42 -63.11 1.37 Allowed 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 175.543 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 66.3 m -135.65 146.53 47.92 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.42 -0.809 . . . . 0.0 108.972 171.608 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.404 ' HA ' ' O ' ' A' ' 34' ' ' ALA . 1.9 p-80 -72.72 82.73 1.15 Allowed 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -173.876 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.2 tt -172.79 123.77 0.44 Allowed 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 174.19 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.715 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 24.6 tt0 -86.16 116.76 24.56 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.906 0.384 . . . . 0.0 110.663 -177.813 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.55 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -137.91 155.32 49.04 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.032 -178.097 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.632 ' HB3' ' HG ' ' A' ' 61' ' ' LEU . 0.5 OUTLIER -116.26 107.42 14.83 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 176.003 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.471 ' HB ' ' HG3' ' A' ' 30' ' ' GLU . 60.6 t -110.23 139.0 35.54 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.142 -170.523 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.632 HD12 HD12 ' A' ' 18' ' ' LEU . 75.3 mt -99.79 114.75 28.11 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.966 179.325 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.552 ' HD2' HD11 ' A' ' 27' ' ' ILE . 5.9 t60 -88.41 102.62 15.06 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.146 -176.168 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.583 ' HG ' HG22 ' A' ' 26' ' ' VAL . 6.1 mp -89.83 164.09 14.77 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 172.61 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.37 -13.55 61.5 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.232 0.539 . . . . 0.0 110.858 -175.042 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.409 HE21 ' HB2' ' A' ' 49' ' ' GLN . 0.2 OUTLIER -101.48 -36.18 8.91 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.081 -177.941 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.561 ' O ' ' HB2' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -174.9 161.96 3.09 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.58 179.072 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.568 ' HB2' ' HB2' ' A' ' 3' ' ' LEU . 50.0 m -99.75 140.47 33.9 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 120.967 0.413 . . . . 0.0 110.767 177.361 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.475 HG21 HD21 ' A' ' 18' ' ' LEU . 61.5 mt -105.97 135.57 43.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 176.457 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 47.5 t -101.12 124.91 47.57 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.366 0.603 . . . . 0.0 111.03 -172.059 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.404 ' HB ' HD23 ' A' ' 61' ' ' LEU . 31.2 mt -125.88 145.84 32.65 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.574 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.789 -176.346 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 45.3 t-80 -68.46 131.12 91.77 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.085 174.613 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.55 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 77.6 Cg_exo -52.12 140.49 50.48 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.907 2.405 . . . . 0.0 112.017 177.103 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 69.5 45.65 0.8 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.61 0.719 . . . . 0.0 110.575 -178.286 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -107.88 140.09 21.28 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 114.948 -1.024 . . . . 0.0 109.039 173.474 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -42.87 -47.36 8.2 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 123.453 2.769 . . . . 0.0 113.566 179.847 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 49.2 m -70.4 -34.82 73.0 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 111.804 0.298 . . . . 0.0 111.804 -176.208 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.632 ' HG ' ' HB3' ' A' ' 43' ' ' PHE . 0.2 OUTLIER -70.84 -47.68 58.03 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 -178.377 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 39.8 t -65.9 -47.24 75.44 Favored 'General case' 0 C--O 1.241 0.651 0 CA-C-O 121.004 0.43 . . . . 0.0 110.72 179.785 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -60.62 -28.97 68.94 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.771 -179.288 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.536 ' CZ3' ' HB3' ' A' ' 23' ' ' LEU . 27.6 t-105 -68.33 -38.41 81.49 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.138 179.932 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.699 ' CD1' ' HG ' ' A' ' 84' ' ' LEU . 52.0 m-85 -53.2 -40.23 64.3 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.425 -0.51 . . . . 0.0 110.038 175.634 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -79.43 -41.92 26.55 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.043 -179.337 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 23.7 m170 -65.68 -39.76 91.62 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.821 179.72 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.497 ' HB2' ' CE2' ' A' ' 64' ' ' TRP . 17.0 tt0 -62.86 -34.52 77.54 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.524 177.698 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.923 ' HA ' ' HG ' ' A' ' 76' ' ' LEU . 42.1 tt0 -61.45 -28.08 69.02 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.67 178.194 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 14.4 ptt180 -113.99 24.35 12.12 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.726 179.063 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.733 ' HD3' ' HB3' ' A' ' 24' ' ' ARG . 24.6 ttmt -144.17 -150.1 0.3 Allowed 'General case' 0 C--O 1.236 0.371 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.362 -177.987 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.504 HD21 ' CZ2' ' A' ' 64' ' ' TRP . 8.5 mt 54.21 -118.55 1.33 Allowed 'General case' 0 C--N 1.345 0.383 0 C-N-CA 123.278 0.631 . . . . 0.0 111.744 -178.103 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -135.78 25.52 3.36 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 -178.408 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 78.05 8.37 87.4 Favored Glycine 0 N--CA 1.449 -0.47 0 N-CA-C 111.041 -0.823 . . . . 0.0 111.041 -173.801 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.2 p -94.22 87.04 5.11 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-O 121.475 0.655 . . . . 0.0 111.497 -178.697 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.923 ' HG ' ' HA ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -156.47 144.27 14.11 Favored Pre-proline 0 C--N 1.319 -0.752 0 CA-C-N 115.338 -0.847 . . . . 0.0 109.506 179.225 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.799 ' HB2' ' HG ' ' A' ' 79' ' ' LEU . 80.0 Cg_endo -77.88 123.96 6.56 Favored 'Trans proline' 0 N--CA 1.46 -0.457 0 C-N-CA 122.614 2.209 . . . . 0.0 112.007 177.429 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -87.62 46.13 1.35 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.819 0.819 . . . . 0.0 110.241 -177.775 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.799 ' HG ' ' HB2' ' A' ' 77' ' ' PRO . 0.4 OUTLIER -108.77 -169.16 1.44 Allowed 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.697 -1.138 . . . . 0.0 111.137 -175.873 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 47.4 m-80 -120.35 104.6 10.16 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.971 174.426 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.685 ' HD2' ' HE2' ' A' ' 65' ' ' PHE . 5.5 m-85 -81.21 12.83 3.19 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.299 0.571 . . . . 0.0 110.191 173.851 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 107.15 -95.38 0.99 Allowed Glycine 0 N--CA 1.441 -1.031 0 CA-C-N 115.536 -0.756 . . . . 0.0 113.805 168.356 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.441 ' HG2' HD13 ' A' ' 84' ' ' LEU . 0.0 OUTLIER -81.56 11.85 4.29 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 -162.933 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.827 HD23 ' HG2' ' A' ' 85' ' ' ARG . 0.0 OUTLIER -136.13 -16.13 1.68 Allowed 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 113.458 0.91 . . . . 0.0 113.458 -175.574 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.827 ' HG2' HD23 ' A' ' 84' ' ' LEU . 25.8 mmm180 -105.78 99.14 8.75 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 121.831 -0.543 . . . . 0.0 110.995 -175.636 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 23.0 tptm 70.67 -32.91 0.25 Allowed 'General case' 0 N--CA 1.47 0.573 0 O-C-N 123.893 0.745 . . . . 0.0 112.038 176.375 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.459 ' H ' ' C ' ' A' ' 85' ' ' ARG . 41.4 mtm -90.6 5.78 46.51 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.403 0.62 . . . . 0.0 110.524 178.636 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.128 0 CA-C-O 118.435 -1.203 . . . . 0.0 110.936 176.844 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.646 ' HD1' HD22 ' A' ' 3' ' ' LEU . 22.4 t80 . . . . . 0 N--CA 1.481 1.091 0 CA-C-O 120.82 0.343 . . . . 0.0 110.276 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.575 HD13 ' HA ' ' A' ' 50' ' ' ARG . 13.3 tp -76.77 109.8 10.85 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.613 172.706 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.646 HD22 ' HD1' ' A' ' 1' ' ' PHE . 4.4 mm? -66.87 112.43 9.66 Favored Pre-proline 0 C--N 1.325 -0.472 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 173.831 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.661 ' HB2' ' HB ' ' A' ' 7' ' ' THR . 45.9 Cg_exo -56.52 130.02 37.82 Favored 'Trans proline' 0 C--O 1.235 0.346 0 C-N-CA 123.058 2.505 . . . . 0.0 112.615 -178.51 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 4' ' ' PRO . 33.0 Cg_exo -60.08 130.3 33.87 Favored 'Trans proline' 0 C--O 1.234 0.292 0 C-N-CA 122.978 2.452 . . . . 0.0 112.245 -178.7 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.1 t 70.6 11.53 7.28 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.079 179.778 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.661 ' HB ' ' HB2' ' A' ' 4' ' ' PRO . 45.1 m -125.25 81.03 1.93 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.367 0.603 . . . . 0.0 109.404 174.891 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -119.67 87.83 2.82 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-O 121.467 0.651 . . . . 0.0 112.029 -174.35 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.3 t -131.7 49.8 2.29 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 106.706 -1.59 . . . . 0.0 106.706 166.87 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 43.5 t -53.77 137.1 38.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 113.336 -1.756 . . . . 0.0 112.495 -172.647 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.8 t -130.87 15.64 5.26 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.808 178.113 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -141.61 95.21 2.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.729 0.776 . . . . 0.0 111.005 176.753 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.555 HD23 ' SG ' ' A' ' 53' ' ' CYS . 50.6 mt -83.05 135.51 34.82 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.373 -0.83 . . . . 0.0 111.019 -176.448 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -62.8 -46.7 86.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.972 -176.512 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 75.08 -44.28 0.53 Allowed 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.667 0.787 . . . . 0.0 112.485 177.763 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -63.65 129.92 94.04 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 120.591 0.234 . . . . 0.0 111.142 -178.527 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -59.89 116.98 3.68 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.95 2.434 . . . . 0.0 111.958 177.23 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.808 ' HB3' HD11 ' A' ' 22' ' ' LEU . 82.0 mt -71.13 138.53 49.74 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.074 -177.101 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.618 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 5.1 m -74.08 140.62 45.44 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.857 -178.374 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.489 ' HA ' HD12 ' A' ' 23' ' ' LEU . 9.9 t70 -55.53 -34.58 64.8 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 121.057 0.456 . . . . 0.0 111.131 -178.643 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.438 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 66.5 mttm -56.91 -46.68 81.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.337 179.281 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.808 HD11 ' HB3' ' A' ' 18' ' ' LEU . 4.3 pp -76.37 -26.85 56.08 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.794 176.605 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.519 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 76.6 mt -65.2 -36.75 85.17 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.725 -178.045 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.441 ' HB3' ' HD3' ' A' ' 71' ' ' LYS . 15.2 ptm180 -67.54 4.79 0.94 Allowed 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 121.217 0.532 . . . . 0.0 111.366 178.298 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.602 ' HD3' ' HA ' ' A' ' 22' ' ' LEU . 24.1 mtpp -109.01 0.18 19.85 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.057 178.91 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.884 ' HA ' ' HA ' ' A' ' 47' ' ' LEU . 25.1 t -84.74 150.55 3.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 177.625 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 18.0 pt -124.49 -24.1 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -178.54 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 22.7 mm-40 -152.34 154.09 34.95 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 120.753 0.311 . . . . 0.0 111.462 -177.935 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.486 HG13 HE22 ' A' ' 68' ' ' GLN . 13.7 m -98.68 126.07 51.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.298 0.57 . . . . 0.0 109.863 169.581 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.949 ' HB2' ' HB ' ' A' ' 44' ' ' VAL . 3.2 mm-40 -95.7 110.8 22.88 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 -179.811 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 32.1 tp -90.1 105.36 17.76 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 120.136 -0.626 . . . . 0.0 110.81 -179.823 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.435 ' HB3' ' HB3' ' A' ' 42' ' ' ALA . 46.5 tt0 -82.14 104.27 12.36 Favored 'General case' 0 N--CA 1.442 -0.859 0 CA-C-N 115.232 -0.894 . . . . 0.0 108.634 172.522 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -73.52 154.78 39.73 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.175 -176.757 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.655 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . . . -83.1 1.98 37.57 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.978 -179.294 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -156.29 -28.11 0.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.589 179.728 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -63.81 -13.57 52.37 Favored Glycine 0 CA--C 1.524 0.602 0 CA-C-N 116.255 -0.43 . . . . 0.0 114.006 -176.749 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -159.33 -62.33 0.07 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.366 0.603 . . . . 0.0 109.6 177.137 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 52.7 t -99.44 167.26 10.73 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.378 -0.828 . . . . 0.0 108.789 176.449 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.2 p-80 -96.19 8.94 42.54 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.152 0.501 . . . . 0.0 111.103 178.543 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.3 tt -125.94 134.7 51.45 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 178.474 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.655 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 29.8 tt0 -90.09 135.01 33.92 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 110.264 -0.273 . . . . 0.0 110.264 -177.243 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.549 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -150.65 157.64 43.22 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.953 0.406 . . . . 0.0 111.135 179.202 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.624 ' HB3' ' HG ' ' A' ' 61' ' ' LEU . 7.0 m-85 -118.34 102.44 8.95 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.372 0.606 . . . . 0.0 109.602 175.42 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.949 ' HB ' ' HB2' ' A' ' 30' ' ' GLU . 68.7 t -94.91 140.63 16.41 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.99 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.983 -176.316 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.623 HD12 HD12 ' A' ' 18' ' ' LEU . 23.0 mt -103.1 117.38 34.42 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.138 0.494 . . . . 0.0 110.78 178.603 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.439 ' HB2' ' CD ' ' A' ' 30' ' ' GLU . 3.4 t-160 -93.48 95.56 9.34 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.068 -176.871 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.884 ' HA ' ' HA ' ' A' ' 26' ' ' VAL . 6.0 mp -80.64 157.83 25.85 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 174.042 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.54 17.33 0.11 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.965 0.412 . . . . 0.0 111.47 -178.234 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.464 ' H ' ' C ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -138.54 -39.4 0.52 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.945 -176.872 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.575 ' HA ' HD13 ' A' ' 2' ' ' LEU . 0.0 OUTLIER -164.31 160.95 21.52 Favored 'General case' 0 C--O 1.225 -0.205 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.382 178.727 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.469 ' H ' HD12 ' A' ' 2' ' ' LEU . 19.7 m -112.61 135.76 52.97 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.784 0.326 . . . . 0.0 111.048 -177.382 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 48.4 mt -110.36 146.38 15.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.037 -178.958 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.555 ' SG ' HD23 ' A' ' 13' ' ' LEU . 45.6 t -102.22 124.75 48.36 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.94 0.4 . . . . 0.0 110.758 -176.687 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.502 HG21 HD23 ' A' ' 61' ' ' LEU . 0.3 OUTLIER -125.1 147.22 29.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.123 0.487 . . . . 0.0 111.181 -177.08 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.496 ' CD2' ' HD2' ' A' ' 56' ' ' PRO . 17.1 t-80 -68.26 133.0 91.46 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.642 176.004 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.549 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 86.3 Cg_exo -48.99 -46.76 23.99 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.651 2.234 . . . . 0.0 112.661 179.786 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.454 ' HB2' ' CE1' ' A' ' 55' ' ' HIS . 23.6 mp0 -83.32 78.32 9.65 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 174.118 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -143.32 132.8 11.73 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.108 179.242 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -59.97 -36.75 88.9 Favored 'Trans proline' 0 CA--C 1.528 0.196 0 C-N-CA 123.035 2.49 . . . . 0.0 112.911 -177.098 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 26.3 m -68.33 -34.13 75.55 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 111.751 0.278 . . . . 0.0 111.751 -175.245 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.624 ' HG ' ' HB3' ' A' ' 43' ' ' PHE . 0.2 OUTLIER -74.51 -37.42 63.11 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 177.768 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.491 ' O ' ' HB2' ' A' ' 65' ' ' PHE . 34.8 t -68.67 -48.3 64.3 Favored 'General case' 0 C--O 1.248 0.976 0 CA-C-O 121.035 0.445 . . . . 0.0 111.116 -178.376 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -60.23 -29.05 68.5 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 175.189 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.519 ' CZ3' ' HB3' ' A' ' 23' ' ' LEU . 23.3 t-105 -66.99 -32.26 73.38 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.905 179.452 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.491 ' HB2' ' O ' ' A' ' 62' ' ' SER . 8.4 m-85 -52.2 -55.69 19.5 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 175.543 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -75.92 -34.8 59.92 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.837 -176.789 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.529 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 64.7 m170 -76.16 -33.0 59.36 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.613 -176.358 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.512 ' HB2' ' CE2' ' A' ' 64' ' ' TRP . 10.2 tt0 -69.02 -31.9 71.04 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.701 0.286 . . . . 0.0 110.537 176.836 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -59.63 -32.69 70.66 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.054 0.454 . . . . 0.0 110.291 173.655 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -110.93 16.12 21.41 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 116.05 -0.523 . . . . 0.0 112.072 -177.067 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.529 ' HB2' ' O ' ' A' ' 67' ' ' HIS . 10.7 ttmm -131.39 -156.88 0.78 Allowed 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 -179.966 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' ' 26' ' ' VAL . 6.4 mp 62.52 -81.02 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.157 0.503 . . . . 0.0 110.959 -176.956 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.617 ' HB3' HG23 ' A' ' 75' ' ' THR . 12.1 t60 -160.61 12.4 0.11 Allowed 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 -177.708 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 63.09 57.74 14.49 Favored Glycine 0 C--N 1.333 0.392 0 N-CA-C 110.419 -1.072 . . . . 0.0 110.419 -170.626 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.617 HG23 ' HB3' ' A' ' 73' ' ' HIS . 23.0 p -98.88 -171.48 2.11 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 112.667 0.618 . . . . 0.0 112.667 -167.704 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 95.6 mt 78.17 142.88 0.09 OUTLIER Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 114.0 -1.455 . . . . 0.0 113.032 171.671 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -80.47 -154.63 0.05 OUTLIER 'Trans proline' 0 C--O 1.237 0.449 0 C-N-CA 124.153 3.235 . . . . 0.0 111.626 -178.807 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 32.8 mmtm -72.19 77.75 0.97 Allowed 'General case' 0 CA--C 1.518 -0.279 0 CA-C-O 121.018 0.437 . . . . 0.0 110.341 171.74 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.417 HD22 ' CE2' ' A' ' 81' ' ' PHE . 57.6 mt -96.36 139.79 31.97 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-O 121.263 0.554 . . . . 0.0 110.254 178.216 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.845 ' HA ' ' HA ' ' A' ' 85' ' ' ARG . 2.9 p30 -165.6 61.93 0.11 Allowed 'General case' 0 C--N 1.311 -1.086 0 CA-C-N 114.957 -1.019 . . . . 0.0 109.07 178.162 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.452 ' HB2' ' HB2' ' A' ' 84' ' ' LEU . 88.5 m-85 -72.1 31.77 0.06 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.155 176.513 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.528 ' H ' ' C ' ' A' ' 80' ' ' ASN . . . 70.53 -50.47 0.82 Allowed Glycine 0 C--N 1.338 0.664 0 N-CA-C 111.434 -0.666 . . . . 0.0 111.434 -171.309 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.654 ' HB2' HD22 ' A' ' 84' ' ' LEU . 34.2 mtm -86.71 -61.58 1.7 Allowed 'General case' 0 C--N 1.311 -1.103 0 CA-C-N 114.368 -0.916 . . . . 0.0 108.609 177.54 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.687 HD12 ' HA3' ' A' ' 88' ' ' GLY . 2.9 mm? -81.58 64.43 6.29 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 114.059 -1.428 . . . . 0.0 110.628 -177.394 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.845 ' HA ' ' HA ' ' A' ' 80' ' ' ASN . 23.5 mtp180 -75.43 72.86 2.47 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.815 173.037 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.403 ' HA ' ' HB2' ' A' ' 79' ' ' LEU . 24.3 mtpp 64.48 13.64 8.3 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 121.586 0.708 . . . . 0.0 109.682 -172.981 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.517 ' HG3' ' O ' ' A' ' 85' ' ' ARG . 65.2 mtt -99.1 -0.05 42.58 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 114.44 -1.255 . . . . 0.0 109.91 -174.85 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.687 ' HA3' HD12 ' A' ' 84' ' ' LEU . . . . . . . . 0 N--CA 1.437 -1.289 0 CA-C-O 117.85 -1.528 . . . . 0.0 110.901 179.472 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 77.9 t80 . . . . . 0 N--CA 1.478 0.972 0 CA-C-O 121.318 0.58 . . . . 0.0 110.616 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 59.2 tp -154.34 140.51 18.48 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.15 173.772 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.495 ' HG ' ' SG ' ' A' ' 53' ' ' CYS . 4.2 mm? -70.88 109.21 4.72 Favored Pre-proline 0 C--N 1.32 -0.698 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 170.723 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.877 ' HB2' ' HB ' ' A' ' 7' ' ' THR . 50.0 Cg_exo -52.31 127.88 25.49 Favored 'Trans proline' 0 N--CA 1.463 -0.306 0 C-N-CA 122.56 2.174 . . . . 0.0 112.507 -172.762 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.481 ' HD3' ' HA ' ' A' ' 4' ' ' PRO . 53.0 Cg_exo -57.64 122.09 11.15 Favored 'Trans proline' 0 C--O 1.236 0.418 0 C-N-CA 123.025 2.484 . . . . 0.0 112.352 -178.809 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.6 m 70.01 14.85 7.81 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 121.438 0.637 . . . . 0.0 110.96 179.419 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.877 ' HB ' ' HB2' ' A' ' 4' ' ' PRO . 14.9 m -115.23 86.6 2.49 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 173.297 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -84.71 93.11 8.36 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.23 -170.426 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.434 ' HA ' ' OE1' ' A' ' 32' ' ' GLN . 46.7 t -143.74 88.9 2.01 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.086 169.501 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 71.4 m -113.29 117.81 32.87 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.337 -177.564 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 21.2 p -94.94 -25.1 16.68 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.372 0.606 . . . . 0.0 109.942 175.117 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -102.49 159.05 15.78 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.119 172.839 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 91.1 mt -134.04 152.37 51.81 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.646 -0.252 . . . . 0.0 110.658 -177.652 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -69.53 -39.6 77.41 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 176.265 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.448 HH11 ' HD3' ' A' ' 15' ' ' ARG . 48.1 mtt180 73.32 -44.02 0.57 Allowed 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 115.118 -0.946 . . . . 0.0 112.674 173.277 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -85.97 159.45 54.39 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-O 120.638 0.256 . . . . 0.0 111.128 -177.461 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_exo -64.7 149.56 89.56 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 123.046 2.498 . . . . 0.0 113.204 179.455 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.762 ' HB3' HD11 ' A' ' 22' ' ' LEU . 81.8 mt -100.56 154.19 18.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.941 177.456 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.615 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 19.1 m -92.32 148.11 22.39 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.115 -178.926 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.508 ' HA ' HD12 ' A' ' 23' ' ' LEU . 5.5 m-20 -55.83 -30.16 60.97 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.858 179.771 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.639 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 7.9 mtpm? -60.98 -45.69 93.78 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.081 -179.242 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.762 HD11 ' HB3' ' A' ' 18' ' ' LEU . 4.3 pp -75.01 -29.79 60.95 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.238 176.357 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.573 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 82.7 mt -64.39 -26.83 68.63 Favored 'General case' 0 C--O 1.223 -0.291 0 CA-C-N 116.003 -0.544 . . . . 0.0 112.165 -176.129 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.639 ' HG2' ' O ' ' A' ' 21' ' ' LYS . 13.3 ptm180 -67.0 -6.78 18.31 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 121.119 0.485 . . . . 0.0 111.081 -179.153 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.541 ' HB3' HE22 ' A' ' 49' ' ' GLN . 35.1 mtmm -108.47 -4.71 17.05 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.328 -179.108 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.91 HG22 ' HG ' ' A' ' 47' ' ' LEU . 21.4 t -80.52 90.02 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 179.953 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.56 HD13 ' HB2' ' A' ' 48' ' ' ALA . 23.9 pt -69.14 -30.98 48.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 115.164 -0.926 . . . . 0.0 112.687 -171.966 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -150.17 159.32 44.51 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.039 0.447 . . . . 0.0 111.052 -177.721 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.591 HG21 HE22 ' A' ' 68' ' ' GLN . 47.9 t -115.98 125.9 73.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.122 177.561 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.51 ' HG3' ' HB ' ' A' ' 44' ' ' VAL . 5.4 pt-20 -127.37 168.9 14.2 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 179.039 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -145.77 142.11 28.6 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.533 0.682 . . . . 0.0 112.117 -176.544 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.589 ' OE1' ' HB2' ' A' ' 38' ' ' CYS . 7.4 tt0 -85.38 116.71 23.87 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 114.754 -1.112 . . . . 0.0 108.831 171.828 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.428 ' C ' ' H ' ' A' ' 35' ' ' ASP . 40.8 mt-10 -74.52 152.85 39.31 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 178.56 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.45 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . . . -74.25 21.24 0.1 Allowed 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 -171.552 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.428 ' H ' ' C ' ' A' ' 33' ' ' GLU . 33.0 t70 174.96 -23.18 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 123.229 0.612 . . . . 0.0 109.402 -178.409 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -59.9 -23.79 59.55 Favored Glycine 0 C--N 1.331 0.303 0 CA-C-N 115.443 -0.799 . . . . 0.0 113.139 -179.085 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -137.03 -56.71 0.72 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.333 0.587 . . . . 0.0 109.495 177.743 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.589 ' HB2' ' OE1' ' A' ' 32' ' ' GLN . 84.5 m -131.72 -179.25 5.27 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.485 175.839 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -83.18 13.94 3.83 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 114.382 1.253 . . . . 0.0 114.382 -164.947 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -145.12 166.55 25.09 Favored 'General case' 0 C--N 1.321 -0.632 0 O-C-N 121.655 -0.653 . . . . 0.0 110.95 179.337 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.466 ' HA ' ' O ' ' A' ' 32' ' ' GLN . 50.4 tt0 -105.6 131.01 53.52 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.509 -179.786 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -153.56 132.33 12.34 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.292 178.516 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.456 ' CZ ' HD11 ' A' ' 84' ' ' LEU . 57.6 m-85 -84.75 125.78 32.85 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 175.54 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.51 ' HB ' ' HG3' ' A' ' 30' ' ' GLU . 24.7 t -106.69 114.18 45.17 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.917 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.652 -176.483 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.607 HD12 HD12 ' A' ' 18' ' ' LEU . 19.0 mt -84.67 119.81 25.67 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 -179.471 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -97.05 103.51 15.44 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.127 -169.297 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.91 ' HG ' HG22 ' A' ' 26' ' ' VAL . 5.7 mp -99.29 2.16 45.24 Favored 'General case' 0 C--O 1.213 -0.843 0 CA-C-O 121.053 0.454 . . . . 0.0 110.689 -178.468 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.56 ' HB2' HD13 ' A' ' 27' ' ' ILE . . . 78.72 -67.12 0.17 Allowed 'General case' 0 C--N 1.304 -1.408 0 CA-C-N 114.561 -1.2 . . . . 0.0 110.982 173.427 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.541 HE22 ' HB3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -75.82 -16.14 60.13 Favored 'General case' 0 CA--C 1.516 -0.328 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 171.449 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.851 ' HB2' ' HB2' ' A' ' 47' ' ' LEU . 30.7 mtt180 -128.72 163.57 24.84 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 114.816 -1.083 . . . . 0.0 111.14 174.401 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 63.5 m -151.81 123.33 7.86 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 167.775 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 79.8 mt -118.67 137.32 53.02 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.222 -173.255 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.495 ' SG ' ' HG ' ' A' ' 3' ' ' LEU . 18.4 m -101.21 120.41 40.19 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 -177.758 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.655 HD11 HD22 ' A' ' 58' ' ' ASN . 5.5 tt -115.72 147.43 19.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.492 -172.806 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.402 ' CE1' ' HB2' ' A' ' 57' ' ' GLN . 19.6 t-80 -71.67 126.23 91.58 Favored Pre-proline 0 C--N 1.322 -0.619 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 176.068 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_exo -44.56 -47.43 11.26 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 123.239 2.626 . . . . 0.0 113.002 -177.876 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.402 ' HB2' ' CE1' ' A' ' 55' ' ' HIS . 2.1 mp0 -84.12 71.14 10.6 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.103 177.625 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.655 HD22 HD11 ' A' ' 54' ' ' ILE . 64.9 t30 -135.99 120.89 13.22 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 116.24 -0.436 . . . . 0.0 109.826 177.064 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -51.05 -30.91 33.01 Favored 'Trans proline' 0 C--O 1.234 0.292 0 C-N-CA 123.495 2.797 . . . . 0.0 113.197 -178.567 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.5 m -62.18 -30.83 71.33 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.568 -177.619 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.538 HD13 HD21 ' A' ' 45' ' ' LEU . 37.8 tp -75.48 -38.82 59.31 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.836 -0.345 . . . . 0.0 110.169 -178.042 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.8 m -60.18 -45.85 91.73 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 121.479 0.657 . . . . 0.0 109.355 174.094 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -61.06 -39.76 91.1 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.523 175.929 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.688 ' CZ2' ' HB ' ' A' ' 26' ' ' VAL . 7.6 t-105 -62.11 -37.3 84.58 Favored 'General case' 0 C--O 1.22 -0.461 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.134 -178.857 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -61.48 -39.84 92.38 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.458 -0.497 . . . . 0.0 110.368 177.265 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -66.32 -47.05 74.78 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 121.6 0.714 . . . . 0.0 110.122 175.115 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.572 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 23.0 m170 -72.44 -39.75 67.6 Favored 'General case' 0 C--O 1.22 -0.471 0 CA-C-N 115.133 -0.94 . . . . 0.0 111.8 -172.139 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.591 HE22 HG21 ' A' ' 29' ' ' VAL . 3.4 pt20 -62.35 -33.78 75.38 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 178.029 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -61.9 -30.79 71.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.422 178.925 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -113.82 19.51 16.59 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.732 -178.968 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.572 ' HB2' ' O ' ' A' ' 67' ' ' HIS . 10.1 ttmm -131.17 -163.71 1.35 Allowed 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 -177.965 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.497 HD21 ' O ' ' A' ' 26' ' ' VAL . 9.9 mp 52.78 -101.06 0.1 Allowed 'General case' 0 C--O 1.232 0.167 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -176.793 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 8.2 t-160 -171.77 19.42 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.622 -175.857 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 79.24 2.75 87.86 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.664 -0.779 . . . . 0.0 111.696 -174.027 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -83.75 82.84 8.14 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-O 121.388 0.613 . . . . 0.0 111.331 -179.535 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 60.5 mt -144.61 153.32 54.75 Favored Pre-proline 0 C--N 1.32 -0.682 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.351 -178.773 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.463 ' HG2' HD23 ' A' ' 79' ' ' LEU . 41.5 Cg_endo -91.42 153.7 3.64 Favored 'Trans proline' 0 N--CA 1.452 -0.913 0 C-N-CA 123.455 2.77 . . . . 0.0 111.792 175.063 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -85.3 88.84 7.53 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 175.411 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.463 HD23 ' HG2' ' A' ' 77' ' ' PRO . 2.7 pp -99.56 11.9 37.92 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.25 -175.809 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 59.3 89.86 0.06 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 114.633 -1.167 . . . . 0.0 110.624 -178.079 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 14.7 p90 -121.23 12.11 10.95 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.004 0.431 . . . . 0.0 111.454 -177.055 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -75.74 -11.93 84.2 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.802 -178.026 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.494 ' O ' ' HB2' ' A' ' 87' ' ' MET . 0.0 OUTLIER -93.7 2.62 56.24 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.842 0.321 . . . . 0.0 111.434 -175.95 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.456 HD11 ' CZ ' ' A' ' 43' ' ' PHE . 30.3 mt -114.92 12.67 16.89 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -177.201 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 43.3 mtm-85 -84.76 78.3 9.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 122.23 -0.294 . . . . 0.0 110.3 177.365 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.457 ' HA ' ' HD3' ' A' ' 86' ' ' LYS . 69.9 mmtt 63.65 19.39 11.69 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 121.787 0.803 . . . . 0.0 110.508 -175.641 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.494 ' HB2' ' O ' ' A' ' 83' ' ' MET . 50.4 mtt -112.56 11.02 19.63 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 114.908 -1.042 . . . . 0.0 109.248 177.412 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.043 0 CA-C-O 118.752 -1.027 . . . . 0.0 111.014 -177.853 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 86.1 t80 . . . . . 0 N--CA 1.479 1.014 0 CA-C-O 120.971 0.415 . . . . 0.0 110.649 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.3 pp -102.56 145.09 30.13 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 175.455 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.426 HD13 ' HA ' ' A' ' 3' ' ' LEU . 4.4 mm? -65.45 112.71 9.14 Favored Pre-proline 0 C--N 1.325 -0.49 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 175.209 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.606 ' HB2' ' HB ' ' A' ' 7' ' ' THR . 23.4 Cg_exo -64.1 129.7 25.13 Favored 'Trans proline' 0 N--CA 1.463 -0.3 0 C-N-CA 122.69 2.26 . . . . 0.0 112.277 -177.855 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.403 ' C ' ' H ' ' A' ' 7' ' ' THR . 21.1 Cg_endo -60.46 138.41 80.33 Favored 'Trans proline' 0 C--O 1.236 0.419 0 C-N-CA 122.885 2.39 . . . . 0.0 112.017 179.174 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.1 t 71.15 -7.35 1.15 Allowed 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.911 -178.719 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.606 ' HB ' ' HB2' ' A' ' 4' ' ' PRO . 3.1 m -107.36 68.71 0.73 Allowed 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 178.519 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.578 ' HB1' ' HB2' ' A' ' 32' ' ' GLN . . . -79.89 98.45 7.12 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 115.142 -0.936 . . . . 0.0 112.063 -169.978 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.471 ' HA ' ' OE1' ' A' ' 32' ' ' GLN . 10.9 t -144.48 87.99 1.9 Allowed 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 169.422 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 23.5 t -126.0 126.93 45.11 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.28 -170.121 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 38.9 p -96.83 -44.79 6.91 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.712 -175.562 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.23 102.55 7.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.791 0.329 . . . . 0.0 110.454 -179.617 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 79.0 mt -95.33 133.29 39.41 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.541 -179.755 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.49 ' CE2' ' HB2' ' A' ' 16' ' ' LYS . 22.9 t80 -60.63 -46.8 88.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.335 -178.417 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 68.1 mtp180 69.82 2.16 3.73 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.852 173.772 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.49 ' HB2' ' CE2' ' A' ' 14' ' ' TYR . 14.3 mmmm -122.79 153.2 63.39 Favored Pre-proline 0 C--N 1.32 -0.706 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 179.441 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.811 ' HA ' ' HB2' ' A' ' 60' ' ' SER . 39.0 Cg_exo -61.56 136.73 64.84 Favored 'Trans proline' 0 C--O 1.234 0.301 0 C-N-CA 122.46 2.107 . . . . 0.0 111.977 176.075 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.537 ' HB3' HD11 ' A' ' 22' ' ' LEU . 76.8 mt -86.82 155.42 20.29 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.866 0.365 . . . . 0.0 110.691 -179.104 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.686 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 19.6 m -70.45 138.77 51.46 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.325 178.695 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.553 ' HA ' HD12 ' A' ' 23' ' ' LEU . 1.0 OUTLIER -65.94 -28.12 68.68 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.644 -0.253 . . . . 0.0 110.888 -176.069 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.69 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 27.6 mtpp -61.91 -44.33 97.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.013 179.361 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.686 ' HG ' ' O ' ' A' ' 19' ' ' SER . 4.3 pp -72.97 -26.6 61.42 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.198 178.165 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.553 HD12 ' HA ' ' A' ' 20' ' ' ASP . 75.5 mt -63.01 -31.77 72.99 Favored 'General case' 0 C--O 1.223 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.606 -178.959 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.69 ' HG2' ' O ' ' A' ' 21' ' ' LYS . 14.9 ptm180 -68.18 -1.1 5.43 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-O 121.218 0.533 . . . . 0.0 111.15 179.499 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 52.4 mtmt -118.59 4.27 11.69 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.821 -179.254 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.866 HG22 ' HG ' ' A' ' 47' ' ' LEU . 44.5 t -90.02 105.09 15.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 177.623 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.47 ' HA ' HD21 ' A' ' 72' ' ' LEU . 22.1 pt -89.09 -23.77 6.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 -170.233 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.477 ' HA ' ' OE1' ' A' ' 28' ' ' GLN . 15.8 mm-40 -142.03 155.6 45.41 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.023 0.439 . . . . 0.0 111.917 -176.353 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 35.7 t -116.91 125.2 73.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.162 176.632 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -112.22 122.34 47.47 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.973 0.416 . . . . 0.0 110.333 -173.505 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 15.1 tp -101.14 114.47 28.45 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.56 0.695 . . . . 0.0 111.412 -175.885 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.578 ' HB2' ' HB1' ' A' ' 8' ' ' ALA . 7.0 tt0 -90.74 120.55 31.88 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 114.918 -1.037 . . . . 0.0 108.826 173.904 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -96.71 155.46 16.76 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 -179.219 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.07 -13.97 8.44 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 -171.762 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -149.46 11.74 0.79 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.602 0.715 . . . . 0.0 109.49 176.986 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.458 ' O ' ' HB2' ' A' ' 37' ' ' ASP . . . -98.77 97.27 1.84 Allowed Glycine 0 N--CA 1.444 -0.772 0 CA-C-N 115.094 -0.957 . . . . 0.0 111.202 178.837 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.458 ' HB2' ' O ' ' A' ' 36' ' ' GLY . 1.5 m-20 74.71 -10.14 1.23 Allowed 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 123.388 0.675 . . . . 0.0 111.923 -178.232 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.0 t -153.95 -166.76 2.46 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.511 0.196 . . . . 0.0 110.552 -179.971 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 31.1 p-80 -121.91 20.06 10.86 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -175.233 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -155.6 161.89 40.74 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 176.421 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.524 ' HA ' ' O ' ' A' ' 32' ' ' GLN . 7.8 tt0 -101.36 138.29 38.57 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.757 0.313 . . . . 0.0 110.628 178.762 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.548 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -161.51 145.98 13.17 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.622 174.745 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.627 ' CB ' ' HG ' ' A' ' 61' ' ' LEU . 38.8 m-85 -98.05 102.65 14.45 Favored 'General case' 0 C--N 1.314 -0.953 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 173.155 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 58.4 t -96.4 136.69 26.44 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.004 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.716 -175.229 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.518 HD12 HD12 ' A' ' 18' ' ' LEU . 52.5 mt -102.3 123.85 46.84 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 121.242 0.544 . . . . 0.0 111.253 -176.099 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.428 ' HB3' ' HB2' ' A' ' 28' ' ' GLN . 54.2 t-80 -98.77 104.5 16.54 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.477 -175.457 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.866 ' HG ' HG22 ' A' ' 26' ' ' VAL . 5.7 mp -81.89 171.6 14.28 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.092 176.154 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.36 -16.15 59.57 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 112.481 0.549 . . . . 0.0 112.481 -174.81 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.67 5.99 2.93 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.64 -0.424 . . . . 0.0 112.045 -176.502 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -171.0 177.98 3.54 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 120.686 -0.406 . . . . 0.0 111.515 -172.896 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 62.3 m -140.35 136.44 33.18 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.811 0.338 . . . . 0.0 110.762 177.439 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 64.2 mt -117.38 138.2 48.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 178.395 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 48.5 m -101.76 121.59 42.36 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.358 0.599 . . . . 0.0 111.314 -170.935 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.548 ' HB ' ' O ' ' A' ' 43' ' ' PHE . 16.3 mt -115.92 135.42 56.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.698 -175.387 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 50.6 t-80 -60.15 130.43 89.22 Favored Pre-proline 0 C--O 1.225 -0.233 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 173.157 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.548 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 78.1 Cg_exo -49.59 -48.16 20.11 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.931 2.421 . . . . 0.0 112.683 -174.41 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 24.7 mm-40 -79.41 80.61 5.77 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 174.132 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 48.1 t-20 -146.25 126.04 6.83 Favored Pre-proline 0 N--CA 1.451 -0.381 0 CA-C-N 115.483 -0.781 . . . . 0.0 109.525 178.436 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -51.72 -36.99 63.89 Favored 'Trans proline' 0 N--CA 1.465 -0.186 0 C-N-CA 123.363 2.708 . . . . 0.0 112.931 177.44 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.811 ' HB2' ' HA ' ' A' ' 17' ' ' PRO . 35.3 t -62.37 -33.05 73.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.457 -175.768 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.627 ' HG ' ' CB ' ' A' ' 43' ' ' PHE . 0.8 OUTLIER -80.14 -48.5 13.09 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 -177.686 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 18.1 t -59.7 -49.86 76.09 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-O 121.327 0.584 . . . . 0.0 110.216 179.514 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -64.36 -28.66 69.85 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.476 178.205 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.493 ' CZ3' ' HB3' ' A' ' 23' ' ' LEU . 16.3 t-105 -63.58 -42.45 98.28 Favored 'General case' 0 C--O 1.218 -0.6 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.381 177.661 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.487 ' HB3' ' HD3' ' A' ' 85' ' ' ARG . 12.2 m-85 -54.71 -40.25 69.01 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.771 -0.371 . . . . 0.0 110.677 176.123 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.565 ' OE2' ' HD2' ' A' ' 85' ' ' ARG . 41.8 mm-40 -66.44 -50.73 62.39 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 121.528 0.68 . . . . 0.0 111.196 174.701 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.513 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 55.1 m-70 -74.15 -30.17 62.14 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.906 -0.588 . . . . 0.0 112.34 -172.068 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.467 ' HG2' ' O ' ' A' ' 64' ' ' TRP . 12.9 pt20 -69.44 -29.72 67.49 Favored 'General case' 0 CA--C 1.518 -0.281 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 176.093 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.494 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 18.7 tp10 -59.24 -35.52 73.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.263 175.398 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 8.1 ptt180 -113.46 28.37 8.83 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.048 -0.523 . . . . 0.0 112.209 178.071 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.513 ' HB2' ' O ' ' A' ' 67' ' ' HIS . 21.5 ttmt -138.04 -168.34 2.34 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 175.511 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.509 HD21 ' O ' ' A' ' 26' ' ' VAL . 8.9 mp 52.13 -95.45 0.04 OUTLIER 'General case' 0 C--N 1.343 0.285 0 CA-C-O 121.221 0.534 . . . . 0.0 111.218 -172.062 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 18.5 t-160 -164.22 12.13 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.329 -0.85 . . . . 0.0 109.077 -179.326 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 77.03 7.72 86.73 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.043 -174.792 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 40.5 p -87.33 105.33 17.17 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.793 0.33 . . . . 0.0 110.781 -179.02 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 47.3 mt -154.59 154.7 29.72 Favored Pre-proline 0 C--N 1.327 -0.394 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 -174.452 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -86.58 170.85 7.57 Favored 'Trans proline' 0 N--CA 1.456 -0.723 0 C-N-CA 122.587 2.191 . . . . 0.0 112.065 176.842 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 16.8 pttp -81.48 87.99 6.18 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.565 0.697 . . . . 0.0 110.425 176.237 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.3 pp -111.63 34.91 3.88 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.555 -179.384 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.572 ' O ' ' HG2' ' A' ' 83' ' ' MET . 5.9 p30 41.43 47.44 3.15 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.987 0.915 . . . . 0.0 113.259 175.338 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.595 ' O ' ' HG3' ' A' ' 85' ' ' ARG . 27.4 p90 -68.74 -12.61 61.65 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.24 179.941 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -80.38 -6.0 89.49 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.946 179.624 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.572 ' HG2' ' O ' ' A' ' 80' ' ' ASN . 17.4 ptt? -74.21 -21.14 59.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.817 0.308 . . . . 0.0 111.822 -177.703 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.423 HD12 ' CG ' ' A' ' 83' ' ' MET . 0.0 OUTLIER -139.49 0.06 1.82 Allowed 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 -170.468 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.595 ' HG3' ' O ' ' A' ' 81' ' ' PHE . 46.0 mtm180 -70.12 134.85 48.59 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.111 175.371 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 24.4 mmtp 69.18 4.42 4.57 Favored 'General case' 0 N--CA 1.466 0.341 0 O-C-N 123.765 0.666 . . . . 0.0 110.927 179.13 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 25.5 mmt -95.7 -29.68 14.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.857 178.546 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.157 -1.357 . . . . 0.0 111.021 178.039 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 38.2 p90 . . . . . 0 N--CA 1.477 0.891 0 CA-C-O 121.608 0.718 . . . . 0.0 110.54 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.634 ' O ' ' HD3' ' A' ' 4' ' ' PRO . 19.6 tp -133.7 141.65 47.65 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.096 -0.956 . . . . 0.0 108.575 175.665 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.425 HD13 ' HA ' ' A' ' 3' ' ' LEU . 4.4 mm? -97.44 102.5 12.91 Favored Pre-proline 0 C--N 1.321 -0.636 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 172.035 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.634 ' HD3' ' O ' ' A' ' 2' ' ' LEU . 21.0 Cg_exo -70.86 147.74 56.46 Favored 'Trans proline' 0 N--CA 1.464 -0.264 0 C-N-CA 123.325 2.683 . . . . 0.0 112.42 179.608 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.473 ' HD3' ' HA ' ' A' ' 4' ' ' PRO . 44.1 Cg_exo -57.43 127.15 24.34 Favored 'Trans proline' 0 C--O 1.235 0.361 0 C-N-CA 122.657 2.238 . . . . 0.0 111.421 176.995 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.5 m 72.5 11.56 5.64 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.935 -179.092 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.407 ' HB ' ' HB2' ' A' ' 4' ' ' PRO . 79.3 m -129.04 79.51 1.92 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.676 0.75 . . . . 0.0 109.739 174.935 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -97.25 87.14 4.09 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.434 -178.999 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -122.26 80.5 1.72 Allowed 'General case' 0 N--CA 1.443 -0.785 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 -179.804 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 40.8 t -73.96 124.98 27.22 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.651 -1.159 . . . . 0.0 111.525 -173.26 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 33.6 p -103.76 -7.09 20.86 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.878 -179.878 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -148.3 125.87 11.74 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.529 0.68 . . . . 0.0 111.797 -178.257 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.575 HD23 ' SG ' ' A' ' 53' ' ' CYS . 63.7 mt -96.74 145.47 25.78 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.531 -0.758 . . . . 0.0 110.431 -177.474 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -78.73 -27.56 44.85 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 177.374 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.437 HH11 ' HD3' ' A' ' 15' ' ' ARG . 14.6 mmm-85 71.33 -50.95 0.69 Allowed 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 115.336 -0.847 . . . . 0.0 112.117 176.661 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 61.5 tttp -66.38 141.34 97.14 Favored Pre-proline 0 C--N 1.325 -0.487 0 C-N-CA 122.826 0.45 . . . . 0.0 111.454 -178.635 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_exo -57.56 148.05 75.38 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.776 2.317 . . . . 0.0 111.7 170.864 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.625 ' HB3' HD11 ' A' ' 22' ' ' LEU . 63.7 mt -94.29 156.37 16.56 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.931 0.396 . . . . 0.0 111.457 -174.913 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.625 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 12.8 m -81.1 138.86 35.92 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.491 178.549 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.593 ' OD1' ' HE3' ' A' ' 71' ' ' LYS . 25.0 t70 -61.57 -32.04 72.11 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.91 -176.787 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.547 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 89.4 mttt -58.63 -47.48 84.26 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.966 179.866 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.625 HD11 ' HB3' ' A' ' 18' ' ' LEU . 4.6 pp -74.55 -28.99 61.19 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.485 178.461 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.534 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 59.6 mt -61.8 -45.82 92.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.673 -178.44 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.547 ' HG2' ' O ' ' A' ' 21' ' ' LYS . 13.9 ptt180 -57.7 -8.55 0.93 Allowed 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -178.81 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.505 ' HE2' ' HA ' ' A' ' 22' ' ' LEU . 51.6 mtmt -106.31 7.93 31.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.73 0.3 . . . . 0.0 111.719 -177.91 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.542 HG22 ' HG ' ' A' ' 47' ' ' LEU . 91.7 t -75.03 138.96 19.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 174.524 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 28.0 pt -97.56 -41.55 10.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.433 -178.814 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -147.18 151.94 37.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.85 0.357 . . . . 0.0 110.328 -179.13 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.75 HG21 HE22 ' A' ' 68' ' ' GLN . 40.8 t -109.41 136.88 43.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 177.784 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.412 ' CD ' ' HD1' ' A' ' 46' ' ' HIS . 0.6 OUTLIER -132.94 171.25 14.2 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.747 -175.42 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -146.18 139.11 25.65 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.273 178.809 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.504 ' HG2' ' O ' ' A' ' 40' ' ' LEU . 9.7 tt0 -81.21 114.48 20.05 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 171.835 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -64.51 130.72 44.8 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.353 -178.408 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.689 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . . . -70.34 -17.77 63.07 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.888 -175.435 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -141.2 -18.2 0.81 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.132 -178.374 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -71.52 -96.2 0.07 OUTLIER Glycine 0 CA--C 1.519 0.334 0 C-N-CA 121.125 -0.56 . . . . 0.0 113.485 -177.679 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -75.36 -26.53 58.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.388 0.613 . . . . 0.0 110.363 -176.477 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 60.2 m -133.07 -175.74 3.89 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.875 -178.646 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 4.8 p80 -120.09 30.11 7.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.169 0.509 . . . . 0.0 111.155 -178.131 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.504 ' O ' ' HG2' ' A' ' 32' ' ' GLN . 0.8 OUTLIER -157.12 156.65 33.1 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 174.792 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.689 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 7.3 tt0 -104.21 143.69 32.61 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.962 -0.295 . . . . 0.0 111.334 -176.871 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.572 ' HA ' ' HG3' ' A' ' 56' ' ' PRO . . . -162.14 127.58 3.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.127 173.805 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.45 ' HD2' ' HA ' ' A' ' 56' ' ' PRO . 30.2 m-85 -86.36 117.92 25.47 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 175.79 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 24.5 t -114.6 137.48 47.84 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.938 -169.403 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.504 HD22 ' N ' ' A' ' 45' ' ' LEU . 2.7 mm? -109.74 113.83 26.91 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.496 -0.774 . . . . 0.0 109.489 -175.477 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.412 ' HD1' ' CD ' ' A' ' 30' ' ' GLU . 0.5 OUTLIER -105.33 112.81 26.06 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.791 -171.572 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.542 ' HG ' HG22 ' A' ' 26' ' ' VAL . 4.9 mp -100.67 163.44 12.34 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.642 178.495 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.27 -20.57 63.04 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.865 0.364 . . . . 0.0 111.286 -177.145 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.88 -5.37 12.04 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.352 -176.143 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.406 ' HG3' HD13 ' A' ' 47' ' ' LEU . 14.0 ptm180 -169.24 174.48 6.12 Favored 'General case' 0 C--O 1.224 -0.271 0 C-N-CA 121.016 -0.273 . . . . 0.0 110.877 -172.575 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 38.8 m -145.69 123.88 12.21 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.817 0.341 . . . . 0.0 110.378 177.313 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.54 HG21 HD21 ' A' ' 18' ' ' LEU . 54.4 mt -114.18 134.48 56.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.913 178.985 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.575 ' SG ' HD23 ' A' ' 13' ' ' LEU . 42.4 t -104.16 120.38 40.99 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 120.976 0.417 . . . . 0.0 110.412 -178.461 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.53 HG21 ' HB2' ' A' ' 61' ' ' LEU . 0.4 OUTLIER -100.95 144.94 12.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.512 0.672 . . . . 0.0 112.388 -178.526 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.409 ' O ' ' HB2' ' A' ' 58' ' ' ASN . 40.9 t-80 -62.03 124.76 83.28 Favored Pre-proline 0 C--O 1.224 -0.272 0 CA-C-N 114.983 -1.008 . . . . 0.0 109.418 173.291 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.572 ' HG3' ' HA ' ' A' ' 42' ' ' ALA . 93.5 Cg_exo -41.95 -58.03 1.32 Allowed 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 123.341 2.694 . . . . 0.0 113.883 -174.195 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -81.45 78.8 8.18 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.792 -0.448 . . . . 0.0 109.792 175.571 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.438 ' HA ' ' HD2' ' A' ' 59' ' ' PRO . 64.1 t30 -137.84 126.18 14.36 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.399 178.307 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.438 ' HD2' ' HA ' ' A' ' 58' ' ' ASN . 11.0 Cg_endo -54.79 -30.32 67.0 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 122.963 2.442 . . . . 0.0 112.238 177.873 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.541 ' HA ' ' OE1' ' A' ' 63' ' ' GLN . 11.7 t -62.25 -35.52 79.19 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.634 -179.796 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.53 ' HB2' HG21 ' A' ' 54' ' ' ILE . 1.1 tm? -71.0 -47.98 55.72 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 179.92 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.5 m -58.69 -50.66 73.05 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.941 179.557 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.541 ' OE1' ' HA ' ' A' ' 60' ' ' SER . 3.7 pt20 -65.38 -28.39 69.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.439 -178.604 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.534 ' CZ3' ' HB3' ' A' ' 23' ' ' LEU . 12.3 t-105 -68.3 -35.48 77.88 Favored 'General case' 0 C--O 1.219 -0.513 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.994 179.647 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.412 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 6.4 m-85 -62.69 -33.01 74.21 Favored 'General case' 0 C--N 1.319 -0.737 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.24 175.359 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -72.86 -48.81 34.35 Favored 'General case' 0 C--O 1.24 0.59 0 CA-C-O 121.569 0.699 . . . . 0.0 110.367 174.374 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.497 ' O ' ' HG2' ' A' ' 70' ' ' ARG . 12.3 m170 -66.35 -35.86 81.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.562 -177.489 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.75 HE22 HG21 ' A' ' 29' ' ' VAL . 2.0 pt20 -68.06 -29.25 68.17 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.765 -0.458 . . . . 0.0 109.765 179.919 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -62.81 -28.89 70.31 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.161 177.062 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.497 ' HG2' ' O ' ' A' ' 67' ' ' HIS . 8.0 ptp180 -106.57 10.68 31.12 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.534 -178.236 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.593 ' HE3' ' OD1' ' A' ' 20' ' ' ASP . 53.2 mttm -136.59 -154.77 0.57 Allowed 'General case' 0 N--CA 1.468 0.442 0 O-C-N 122.458 -0.151 . . . . 0.0 111.21 179.586 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.9 mp 65.2 -70.24 0.09 Allowed 'General case' 0 C--N 1.345 0.405 0 C-N-CA 123.692 0.797 . . . . 0.0 111.489 -176.12 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 71.6 t60 175.31 -25.1 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.435 -171.776 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 99.51 14.62 34.58 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.022 -178.053 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.8 p -118.29 112.27 19.85 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.693 0.283 . . . . 0.0 111.083 179.709 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 45.7 mt -142.06 157.7 63.3 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.346 -179.578 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -87.87 173.62 5.02 Favored 'Trans proline' 0 N--CA 1.454 -0.845 0 C-N-CA 122.718 2.279 . . . . 0.0 112.734 -176.36 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.77 57.6 4.47 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.381 0.61 . . . . 0.0 111.293 178.249 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -85.05 2.65 42.31 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.732 0.777 . . . . 0.0 110.198 176.599 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 62.47 74.55 0.43 Allowed 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 113.932 -1.486 . . . . 0.0 110.68 -177.891 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.611 ' O ' ' HG3' ' A' ' 85' ' ' ARG . 1.0 OUTLIER -68.83 -21.59 64.28 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.75 178.047 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -72.25 -0.48 45.56 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 121.115 -0.564 . . . . 0.0 112.674 178.267 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 58.2 ttp -61.53 -35.41 77.66 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 121.06 0.457 . . . . 0.0 111.306 179.422 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.634 HD13 ' H ' ' A' ' 84' ' ' LEU . 0.0 OUTLIER -123.74 -3.11 8.26 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.75 -176.853 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.611 ' HG3' ' O ' ' A' ' 81' ' ' PHE . 49.2 mtm180 -82.93 135.23 34.97 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 177.421 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.459 ' HD2' ' HA ' ' A' ' 86' ' ' LYS . 44.4 tptt 70.23 12.18 7.6 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 122.055 0.931 . . . . 0.0 109.305 -175.506 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 49.2 tpp -105.52 -26.71 11.78 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.892 -1.049 . . . . 0.0 109.186 176.148 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.968 0 CA-C-O 118.628 -1.096 . . . . 0.0 111.517 177.866 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 71.2 t80 . . . . . 0 N--CA 1.481 1.076 0 CA-C-O 120.836 0.35 . . . . 0.0 110.172 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 24.9 tp -60.01 141.32 55.85 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 174.141 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.492 ' HG ' ' HB2' ' A' ' 53' ' ' CYS . 4.2 mm? -67.13 114.47 18.54 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 123.31 0.381 . . . . 0.0 110.241 177.244 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.427 ' HB2' ' OG1' ' A' ' 7' ' ' THR . 15.1 Cg_exo -67.74 129.46 19.89 Favored 'Trans proline' 0 N--CA 1.456 -0.714 0 C-N-CA 122.535 2.157 . . . . 0.0 111.112 178.502 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.481 ' HA ' ' OG ' ' A' ' 51' ' ' SER . 53.7 Cg_exo -54.59 126.44 22.35 Favored 'Trans proline' 0 C--O 1.235 0.365 0 C-N-CA 122.912 2.408 . . . . 0.0 112.498 -178.732 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.4 m 70.13 25.79 4.61 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.4 177.858 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.427 ' OG1' ' HB2' ' A' ' 4' ' ' PRO . 13.9 m -117.05 105.84 12.73 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.712 175.077 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -95.89 86.56 4.37 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -172.124 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 7.4 t -164.56 65.41 0.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.89 0.853 . . . . 0.0 109.264 169.474 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 13.0 t -86.6 122.84 31.08 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 114.638 -1.165 . . . . 0.0 110.323 178.146 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.0 t -112.95 5.45 17.3 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.546 176.853 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.461 HE22 HD21 ' A' ' 3' ' ' LEU . 0.1 OUTLIER -135.27 95.17 3.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.777 0.798 . . . . 0.0 111.134 178.413 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.674 HD23 ' SG ' ' A' ' 53' ' ' CYS . 48.5 mt -75.01 142.86 43.78 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.337 -175.756 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 16.8 t80 -75.34 -37.02 60.92 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.638 -0.505 . . . . 0.0 109.638 177.788 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 75.0 mtm180 72.17 -19.55 0.28 Allowed 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 173.327 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -90.64 155.35 45.85 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-O 120.816 0.341 . . . . 0.0 111.439 -177.327 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_endo -76.21 142.39 24.26 Favored 'Trans proline' 0 N--CA 1.461 -0.394 0 C-N-CA 122.494 2.129 . . . . 0.0 111.357 172.494 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.931 ' HB3' HD11 ' A' ' 22' ' ' LEU . 87.2 mt -96.18 144.17 26.63 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 120.945 0.403 . . . . 0.0 110.778 -176.743 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.541 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 17.3 m -70.94 143.81 50.77 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.803 -178.94 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.506 ' HA ' HD12 ' A' ' 23' ' ' LEU . 16.7 t70 -61.69 -30.66 70.89 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.172 -175.826 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.637 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 66.1 mttm -63.21 -46.78 85.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.265 179.094 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.931 HD11 ' HB3' ' A' ' 18' ' ' LEU . 4.5 pp -74.15 -26.64 60.43 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.603 -0.439 . . . . 0.0 110.027 176.874 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.506 HD12 ' HA ' ' A' ' 20' ' ' ASP . 53.7 mt -63.32 -41.63 98.92 Favored 'General case' 0 C--O 1.22 -0.476 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.174 178.223 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.637 ' HG2' ' O ' ' A' ' 21' ' ' LYS . 13.9 ptm180 -64.32 -4.37 3.73 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 121.246 0.546 . . . . 0.0 111.56 -179.084 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.403 ' HD3' ' HA ' ' A' ' 22' ' ' LEU . 40.3 mtpt -103.06 0.13 31.55 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.484 177.538 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.952 HG22 ' HG ' ' A' ' 47' ' ' LEU . 30.5 t -86.79 137.91 20.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 173.812 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 17.7 pt -114.86 -23.68 4.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -175.578 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.498 ' HB2' ' HB3' ' A' ' 46' ' ' HIS . 72.3 mm-40 -143.57 157.54 44.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.976 0.417 . . . . 0.0 111.663 -177.307 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.441 HG23 HE22 ' A' ' 68' ' ' GLN . 20.3 t -116.38 122.66 70.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 172.107 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.618 ' HG3' ' HB ' ' A' ' 44' ' ' VAL . 3.7 pt-20 -116.5 122.61 45.24 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.204 0.526 . . . . 0.0 111.02 -177.667 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 40.7 tp -93.33 121.42 34.69 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.357 -173.76 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -91.46 119.9 31.83 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.193 -0.912 . . . . 0.0 109.675 175.899 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -81.12 151.2 28.4 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.591 -176.537 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.727 ' HB2' ' HB2' ' A' ' 41' ' ' GLN . . . -75.88 -8.55 57.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.807 -173.075 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -146.25 4.09 0.92 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.43 -176.308 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -76.15 -86.96 0.33 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.421 -175.302 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -107.64 5.8 27.23 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.054 0.454 . . . . 0.0 110.058 179.915 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -157.29 154.91 29.81 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.011 -0.736 . . . . 0.0 109.011 -178.335 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -92.57 38.29 1.01 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.16 0.505 . . . . 0.0 110.905 179.969 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.5 tt -157.68 138.13 12.85 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 -176.634 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.727 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 35.6 tt0 -94.55 129.52 41.33 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.948 0.404 . . . . 0.0 110.5 179.658 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.424 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . . . -146.38 151.95 38.3 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.852 -178.454 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.46 ' HB3' ' HG ' ' A' ' 61' ' ' LEU . 22.3 m-85 -109.83 102.45 11.23 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 173.065 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.618 ' HB ' ' HG3' ' A' ' 30' ' ' GLU . 40.9 t -96.36 133.33 38.05 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.425 -173.853 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.655 HD12 HD12 ' A' ' 18' ' ' LEU . 47.2 mt -100.74 122.96 44.25 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.298 0.57 . . . . 0.0 110.784 -179.027 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.498 ' HB3' ' HB2' ' A' ' 28' ' ' GLN . 4.8 t60 -92.85 95.95 9.83 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.068 -0.969 . . . . 0.0 110.214 -176.306 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.952 ' HG ' HG22 ' A' ' 26' ' ' VAL . 6.1 mp -76.71 166.94 22.68 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 174.556 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.35 -17.99 64.97 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 120.943 0.401 . . . . 0.0 111.184 -175.085 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.7 -19.14 10.08 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.385 -175.82 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -162.96 178.08 8.67 Favored 'General case' 0 C--O 1.22 -0.486 0 CA-C-N 116.804 -0.18 . . . . 0.0 111.001 -164.771 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.481 ' OG ' ' HA ' ' A' ' 5' ' ' PRO . 53.9 m -132.46 139.27 47.92 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.99 0.424 . . . . 0.0 110.418 174.003 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 66.5 mt -116.07 142.98 27.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 179.003 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.674 ' SG ' HD23 ' A' ' 13' ' ' LEU . 41.6 t -102.14 120.85 41.12 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.004 0.43 . . . . 0.0 110.9 -174.378 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -116.31 144.75 23.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-O 121.23 0.538 . . . . 0.0 111.037 -177.269 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 40.9 t-80 -77.54 133.25 67.43 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.359 175.794 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.519 ' O ' ' HB2' ' A' ' 57' ' ' GLN . 51.3 Cg_exo -53.95 151.85 25.58 Favored 'Trans proline' 0 CA--C 1.528 0.183 0 C-N-CA 122.467 2.111 . . . . 0.0 112.07 176.956 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.519 ' HB2' ' O ' ' A' ' 56' ' ' PRO . 20.0 mm-40 76.87 -1.76 2.79 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.01 0.524 . . . . 0.0 112.229 -178.224 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -74.92 123.94 89.25 Favored Pre-proline 0 C--N 1.326 -0.453 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 172.311 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -54.73 -26.35 46.69 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 123.451 2.767 . . . . 0.0 112.552 -175.535 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 21.3 t -60.46 -30.33 69.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.146 -179.337 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.46 ' HG ' ' HB3' ' A' ' 43' ' ' PHE . 0.3 OUTLIER -80.44 -54.63 5.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.743 0.306 . . . . 0.0 110.439 -179.317 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.578 ' O ' ' HB2' ' A' ' 65' ' ' PHE . 5.4 m -60.44 -45.92 91.9 Favored 'General case' 0 C--O 1.242 0.661 0 CA-C-O 121.447 0.642 . . . . 0.0 111.011 -177.332 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -64.7 -31.7 73.05 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.227 177.511 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.561 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 25.7 t-105 -65.58 -33.27 75.52 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.489 177.853 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.788 ' HB3' ' O ' ' A' ' 81' ' ' PHE . 2.1 m-85 -52.24 -52.98 49.29 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.147 0.498 . . . . 0.0 110.279 175.614 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -79.07 -31.77 44.52 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 120.216 -0.593 . . . . 0.0 111.186 -179.071 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.529 ' HB2' ' HA ' ' A' ' 64' ' ' TRP . 9.1 m170 -63.25 -44.56 94.84 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.03 178.309 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.561 ' HG2' ' O ' ' A' ' 64' ' ' TRP . 3.9 pt20 -66.61 -31.71 72.58 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-O 120.594 0.235 . . . . 0.0 110.435 -179.59 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -54.66 -36.19 64.34 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.434 178.279 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 26.8 ptt180 -114.68 36.43 3.82 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.954 179.309 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.57 ' HD3' ' HB3' ' A' ' 24' ' ' ARG . 8.0 ttmm -144.02 -157.89 0.83 Allowed 'General case' 0 CA--C 1.535 0.378 0 O-C-N 122.106 -0.371 . . . . 0.0 110.426 -178.054 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.405 HD12 ' N ' ' A' ' 72' ' ' LEU . 7.3 mp 61.56 -88.37 0.02 OUTLIER 'General case' 0 C--N 1.344 0.329 0 C-N-CA 123.081 0.552 . . . . 0.0 111.844 -178.796 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 12.2 t60 -150.89 6.87 0.53 Allowed 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 -177.618 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 84.35 26.41 39.88 Favored Glycine 0 N--CA 1.445 -0.739 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 -170.571 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.519 ' O ' ' HB2' ' A' ' 76' ' ' LEU . 6.0 p -82.2 -176.44 6.17 Favored 'General case' 0 N--CA 1.439 -1.014 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 175.409 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.519 ' HB2' ' O ' ' A' ' 75' ' ' THR . 10.3 mt 72.5 162.22 0.15 Allowed Pre-proline 0 C--N 1.323 -0.563 0 O-C-N 124.02 0.825 . . . . 0.0 110.576 179.624 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.46 ' HD2' ' HB3' ' A' ' 76' ' ' LEU . 44.1 Cg_endo -81.46 111.96 2.41 Favored 'Trans proline' 0 N--CA 1.451 -0.99 0 C-N-CA 121.913 1.742 . . . . 0.0 111.392 -178.259 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.418 ' NZ ' ' HB3' ' A' ' 78' ' ' LYS . 9.4 mtpm? -72.64 89.1 1.3 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.505 0.669 . . . . 0.0 111.119 -175.966 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 77' ' ' PRO . 7.4 mt -124.88 -136.32 0.28 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.561 -1.2 . . . . 0.0 108.175 -179.217 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.682 ' O ' ' HB2' ' A' ' 85' ' ' ARG . 0.2 OUTLIER -125.24 129.01 49.19 Favored 'General case' 0 C--N 1.305 -1.338 0 CA-C-N 114.624 -1.171 . . . . 0.0 107.899 162.896 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.788 ' O ' ' HB3' ' A' ' 65' ' ' PHE . 9.2 p90 -162.68 98.65 0.99 Allowed 'General case' 0 C--N 1.314 -0.972 0 CA-C-O 121.165 0.507 . . . . 0.0 110.608 176.197 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.44 ' H ' ' NE ' ' A' ' 85' ' ' ARG . . . -94.83 -32.53 7.14 Favored Glycine 0 N--CA 1.446 -0.689 0 N-CA-C 109.393 -1.483 . . . . 0.0 109.393 167.912 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 11.7 mtp -157.5 90.34 1.09 Allowed 'General case' 0 CA--C 1.516 -0.343 0 CA-C-N 114.862 -0.669 . . . . 0.0 110.653 169.208 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.494 ' H ' ' HE2' ' A' ' 65' ' ' PHE . 19.0 mt 62.45 27.42 16.29 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.227 -0.897 . . . . 0.0 112.882 174.224 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.682 ' HB2' ' O ' ' A' ' 80' ' ' ASN . 52.4 mtt180 -64.17 102.58 0.52 Allowed 'General case' 0 N--CA 1.435 -1.188 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 176.223 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.533 ' HB2' ' O ' ' A' ' 85' ' ' ARG . 12.5 mmmm 102.34 -7.33 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 125.189 1.395 . . . . 0.0 109.988 176.501 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 4.5 mpp? -103.36 -21.06 13.87 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.544 172.004 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.154 0 CA-C-O 118.372 -1.238 . . . . 0.0 110.902 177.22 . . . . . . . . 0 0 . 1 stop_ save_