data_2kos_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 2kos _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 ' 2' ' ' ALA . . . . . 0.509 ' HB3' ' CB ' ' A' ' 6' ' ' GLU . . . . . . . . 0 N--CA 1.445 -0.695 0 N-CA-C 108.135 -1.061 . . . . 1.46 108.135 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.616 ' O ' HG12 ' A' ' 7' ' ' ILE . 1.0 OUTLIER -93.85 -168.98 1.99 Allowed 'General case' 0 C--O 1.206 -1.185 0 N-CA-C 108.748 -0.834 . . . . 2.11 108.748 177.707 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.412 ' H ' HG23 ' A' ' 3' ' ' THR . 13.1 pt20 -58.46 -43.15 88.78 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 119.665 1.12 . . . . 2.34 113.801 -170.444 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.435 ' HG2' ' HG3' ' A' ' 6' ' ' GLU . 2.9 pm0 -74.51 -35.13 63.19 Favored 'General case' 0 N--CA 1.439 -1.005 0 CA-C-O 121.728 0.775 . . . . 3.05 109.422 -178.101 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.509 ' CB ' ' HB3' ' A' ' 2' ' ' ALA . 41.4 mt-10 -74.72 -32.34 62.11 Favored 'General case' 0 N--CA 1.431 -1.404 0 CA-C-N 114.743 -1.117 . . . . 2.53 110.593 -176.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.616 HG12 ' O ' ' A' ' 3' ' ' THR . 42.8 mm -61.16 -54.8 30.3 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.523 0 N-CA-C 107.21 -1.404 . . . . 1.16 107.21 174.77 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.536 ' HA ' HD12 ' A' ' 11' ' ' LEU . 88.2 t -53.88 -48.78 62.21 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 CA-C-N 115.199 -0.91 . . . . 1.22 110.562 178.373 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.95 -42.68 85.47 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.227 -0.442 . . . . 1.24 111.4 177.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.83 -41.41 95.61 Favored Glycine 0 C--O 1.222 -0.62 0 N-CA-C 110.875 -0.89 . . . . 0.38 110.875 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.536 HD12 ' HA ' ' A' ' 8' ' ' VAL . 94.4 mt -56.46 -48.85 76.21 Favored 'General case' 0 C--O 1.239 0.512 0 C-N-CA 123.279 0.631 . . . . 1.12 110.296 177.318 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.1 -28.17 68.9 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.248 -0.887 . . . . 1.1 113.227 -176.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -59.06 -45.53 90.54 Favored 'General case' 0 C--O 1.237 0.411 0 N-CA-C 109.63 -0.507 . . . . 2.48 109.63 177.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.579 HG23 ' HA ' ' A' ' 46' ' ' VAL . 3.6 mp -75.01 -42.27 45.66 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.279 0 CA-C-N 115.862 -0.608 . . . . 1.14 109.839 179.185 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.639 HG11 HD13 ' A' ' 36' ' ' LEU . 21.6 t -62.53 -27.02 42.02 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.198 0 CA-C-O 121.979 0.895 . . . . 1.11 111.234 -178.706 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -69.72 -39.53 76.78 Favored 'General case' 0 C--N 1.32 -0.702 0 O-C-N 121.748 -0.595 . . . . 0.95 111.196 176.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -80.71 -26.95 37.13 Favored 'General case' 0 C--N 1.315 -0.915 0 C-N-CA 119.657 -0.817 . . . . 2.11 111.509 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 47.3 mm -81.15 -55.18 8.64 Favored 'Isoleucine or valine' 0 C--O 1.244 0.767 0 C-N-CA 120.62 -0.432 . . . . 1.33 110.92 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.462 ' HB3' ' HB3' ' A' ' 37' ' ' ASP . . . -104.27 -53.88 2.64 Favored 'General case' 0 C--N 1.303 -1.45 0 CA-C-O 121.036 0.446 . . . . 1.22 111.203 -177.525 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 114.17 71.96 0.55 Allowed Glycine 0 N--CA 1.434 -1.478 0 C-N-CA 119.744 -1.217 . . . . 0.93 111.964 -178.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.406 ' O ' HD11 ' A' ' 21' ' ' ILE . 2.2 pp -113.89 151.03 44.4 Favored Pre-proline 0 C--N 1.294 -1.837 0 N-CA-C 109.725 -0.472 . . . . 1.31 109.725 176.449 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.443 ' C ' ' H ' ' A' ' 24' ' ' GLU . 17.4 Cg_exo -67.06 132.26 27.52 Favored 'Trans proline' 0 N--CA 1.449 -1.134 0 C-N-CA 121.782 1.655 . . . . 0.86 110.05 176.61 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.6 m -80.47 28.33 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.31 -1.115 0 CA-C-O 122.439 1.114 . . . . 2.05 112.876 -178.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.443 ' H ' ' C ' ' A' ' 22' ' ' PRO . 11.8 pt-20 -131.78 -3.95 3.65 Favored 'General case' 0 C--N 1.297 -1.705 0 CA-C-N 113.789 -1.551 . . . . 2.03 107.728 176.596 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.657 ' O ' ' HE3' ' A' ' 30' ' ' LYS . 18.2 t70 -94.11 -48.54 6.17 Favored 'General case' 0 CA--C 1.493 -1.215 0 CA-C-N 115.007 -0.997 . . . . 1.07 109.624 -174.301 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.463 ' HA ' ' HG3' ' A' ' 30' ' ' LYS . 35.0 t -71.04 94.91 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.076 0 CA-C-N 114.49 -1.232 . . . . 1.46 109.779 -177.106 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -113.62 -164.85 0.95 Allowed 'General case' 0 C--N 1.3 -1.548 0 CA-C-N 114.442 -1.253 . . . . 3.36 107.688 177.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.453 HD11 HG23 ' A' ' 8' ' ' VAL . 4.0 mm? -68.64 -33.33 73.83 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 113.087 0.773 . . . . 1.64 113.087 -177.539 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -88.35 63.92 7.33 Favored 'General case' 0 C--O 1.247 0.93 0 CA-C-O 122.718 1.247 . . . . 2.47 110.64 179.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.657 ' HE3' ' O ' ' A' ' 25' ' ' ASP . 67.2 mmtt -142.34 164.97 28.7 Favored 'General case' 0 C--N 1.309 -1.153 0 CA-C-N 113.938 -1.483 . . . . 1.67 109.775 -178.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.512 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 41.0 t -144.92 161.76 38.53 Favored 'General case' 0 C--N 1.296 -1.746 0 N-CA-C 105.304 -2.11 . . . . 1.72 105.304 175.208 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.411 ' O ' ' HB2' ' A' ' 36' ' ' LEU . 80.0 m-85 -81.54 -66.35 0.9 Allowed 'General case' 0 CA--C 1.49 -1.334 0 CA-C-O 121.331 0.586 . . . . 1.03 111.066 -168.158 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 27.9 p -92.45 36.1 1.01 Allowed 'General case' 0 C--N 1.268 -2.935 0 C-N-CA 119.369 -0.933 . . . . 1.85 112.175 -177.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.475 ' HB2' ' HB3' ' A' ' 31' ' ' SER . 6.8 m-20 -140.89 -50.89 0.45 Allowed 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.437 -0.801 . . . . 2.31 109.162 -179.319 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -110.32 6.06 22.12 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.874 -0.603 . . . . 1.67 110.91 -173.365 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.639 HD13 HG11 ' A' ' 15' ' ' VAL . 64.4 mt -112.42 -166.26 1.06 Allowed 'General case' 0 CA--C 1.504 -0.79 0 N-CA-C 108.494 -0.928 . . . . 1.23 108.494 177.737 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.462 ' HB3' ' HB3' ' A' ' 19' ' ' ALA . 19.4 t70 -74.84 -8.02 55.19 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.48 0.657 . . . . 2.15 110.393 -178.373 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 57.8 t 65.82 75.92 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.448 -0.569 0 CA-C-O 122.929 1.347 . . . . 2.86 110.876 177.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.75 -30.32 70.71 Favored 'General case' 0 C--N 1.303 -1.441 0 CA-C-N 113.204 -1.817 . . . . 2.96 109.256 178.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.542 ' OG ' HD23 ' A' ' 41' ' ' LEU . 28.8 t 56.13 -102.61 0.16 Allowed 'General case' 0 N--CA 1.44 -0.96 0 C-N-CA 125.543 1.537 . . . . 1.56 112.081 -178.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.542 HD23 ' OG ' ' A' ' 40' ' ' SER . 3.1 mm? -72.68 -29.15 63.17 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-O 121.748 0.785 . . . . 1.81 110.037 -177.605 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 25.6 m -73.85 -13.02 60.86 Favored 'General case' 0 C--N 1.306 -1.312 0 CA-C-N 115.302 -0.863 . . . . 1.5 111.027 179.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 20.2 ttp -67.81 -21.47 65.22 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-O 121.262 0.553 . . . . 1.2 109.554 179.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.535 ' HA ' HG11 ' A' ' 47' ' ' VAL . 41.7 t -65.84 -26.04 37.71 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.78 0 N-CA-C 109.387 -0.598 . . . . 1.3 109.387 176.689 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -76.12 -26.56 56.49 Favored 'General case' 0 N--CA 1.463 0.177 0 N-CA-C 108.739 -0.838 . . . . 2.06 108.739 177.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.579 ' HA ' HG23 ' A' ' 14' ' ' ILE . 76.0 t -71.26 -60.95 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 115.106 -0.952 . . . . 2.03 108.765 177.118 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.576 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 10.1 p -55.29 -43.27 70.39 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 N-CA-C 113.08 0.77 . . . . 1.22 113.08 -176.494 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 14.8 p -61.5 -34.46 61.62 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.845 0 CA-C-O 121.463 0.649 . . . . 1.35 111.012 -178.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.655 ' O ' ' HG2' ' A' ' 53' ' ' ARG . . . -78.02 -33.36 51.19 Favored 'General case' 0 N--CA 1.439 -0.994 0 N-CA-C 109.634 -0.506 . . . . 1.09 109.634 178.364 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.83 -33.74 75.37 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 116.013 -0.54 . . . . 1.07 111.841 -178.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.576 ' HG3' ' O ' ' A' ' 47' ' ' VAL . 41.5 mt-10 -53.89 -53.56 50.88 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 123.48 0.487 . . . . 0.8 110.558 178.492 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.463 ' HG3' ' HE ' ' A' ' 53' ' ' ARG . 12.8 pt-20 -69.83 -32.28 70.6 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 116.272 -0.422 . . . . 0.96 111.412 -178.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.655 ' HG2' ' O ' ' A' ' 49' ' ' ALA . 6.7 mmp_? -63.75 -44.39 93.66 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.874 0.369 . . . . 4.41 111.079 -178.165 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -101.77 8.93 41.26 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 112.683 0.623 . . . . 0.49 112.683 -174.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 65.24 36.65 6.93 Favored 'General case' 0 N--CA 1.478 0.928 0 O-C-N 123.608 0.567 . . . . 1.95 111.803 177.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.482 HG23 ' HA ' ' A' ' 51' ' ' GLU . 21.4 m -119.89 -176.96 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.253 0 CA-C-N 116.194 -0.457 . . . . 1.96 110.553 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.405 ' HA ' ' HD2' ' A' ' 57' ' ' LYS . 23.5 tptp -149.66 105.79 3.48 Favored 'General case' 0 C--N 1.294 -1.805 0 N-CA-C 106.168 -1.79 . . . . 3.77 106.168 175.127 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 61.9 mt -104.9 110.65 64.76 Favored Pre-proline 0 C--N 1.286 -2.194 0 N-CA-C 109.926 -0.398 . . . . 1.24 109.926 -171.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.497 ' O ' HG22 ' A' ' 63' ' ' VAL . 35.5 Cg_exo -63.16 148.5 93.12 Favored 'Trans proline' 0 C--O 1.242 0.681 0 C-N-CA 122.791 2.327 . . . . 0.79 111.049 178.053 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -55.77 -31.42 62.58 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 124.775 1.23 . . . . 2.3 110.059 -177.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -61.96 -57.1 12.98 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 114.254 -1.339 . . . . 2.38 109.865 178.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.481 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 8.1 m-20 -62.2 -32.9 73.6 Favored 'General case' 0 CA--C 1.495 -1.156 0 CA-C-N 115.635 -0.711 . . . . 1.52 112.702 -177.155 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.497 HG22 ' O ' ' A' ' 59' ' ' PRO . 34.6 t -54.7 -51.2 53.71 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.714 0 O-C-N 123.603 0.564 . . . . 1.42 110.085 179.752 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 35.9 mtmm -82.08 -6.41 59.14 Favored 'General case' 0 C--N 1.322 -0.628 0 O-C-N 122.137 -0.352 . . . . 1.93 111.819 -178.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -94.44 -7.42 41.51 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.962 0.411 . . . . 2.65 111.026 179.104 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.545 HD12 ' HA ' ' A' ' 72' ' ' ALA . 98.4 mt -96.96 163.45 12.95 Favored 'General case' 0 C--N 1.308 -1.236 0 N-CA-C 108.276 -1.009 . . . . 1.24 108.276 176.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.2 pttp -122.69 -83.2 0.66 Allowed 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 114.755 1.391 . . . . 3.26 114.755 -176.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.459 HG21 ' HB2' ' A' ' 31' ' ' SER . 77.3 p -88.01 -177.0 5.65 Favored 'General case' 0 C--N 1.304 -1.407 0 C-N-CA 120.415 -0.514 . . . . 1.17 110.132 -175.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.6 m -81.87 -20.43 10.5 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.065 0 N-CA-C 109.015 -0.735 . . . . 1.35 109.015 176.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -79.21 -25.48 59.38 Favored Glycine 0 N--CA 1.44 -1.092 0 N-CA-C 109.375 -1.49 . . . . 0.46 109.375 176.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -83.11 -43.19 16.52 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 114.715 -0.742 . . . . 1.62 110.709 176.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.545 ' HA ' HD12 ' A' ' 66' ' ' LEU . . . -65.64 -37.65 87.15 Favored 'General case' 0 CA--C 1.503 -0.85 0 CA-C-N 115.836 -0.62 . . . . 1.21 111.173 -176.538 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.638 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 2.9 p -57.22 -34.16 68.27 Favored 'General case' 0 N--CA 1.432 -1.372 0 CA-C-N 115.735 -0.666 . . . . 1.16 112.277 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 49.4 tptt -53.56 -46.46 70.27 Favored 'General case' 0 C--O 1.224 -0.281 0 O-C-N 123.792 0.683 . . . . 4.01 111.342 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -72.5 -43.72 63.24 Favored 'General case' 0 C--N 1.309 -1.195 0 CA-C-O 121.108 0.48 . . . . 1.09 110.375 -178.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 70.7 mt -65.23 -65.33 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 CA-C-N 115.278 -0.874 . . . . 1.26 111.715 -175.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.638 ' HG ' ' O ' ' A' ' 73' ' ' THR . 4.2 pp -59.95 -22.08 62.01 Favored 'General case' 0 CA--C 1.516 -0.346 0 N-CA-C 113.071 0.767 . . . . 2.3 113.071 -173.594 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 18.6 t70 . . . . . 0 C--N 1.308 -1.229 0 CA-C-N 116.133 -0.485 . . . . 1.32 111.628 -179.858 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . 0.474 ' HB1' HD11 ' A' ' 7' ' ' ILE . . . . . . . . 0 CA--C 1.502 -0.903 0 N-CA-C 107.585 -1.265 . . . . 1.46 107.585 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.6 m -90.21 168.72 11.72 Favored 'General case' 0 C--N 1.289 -2.063 0 C-N-CA 119.667 -0.813 . . . . 2.11 109.417 178.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.445 ' HG2' HD22 ' A' ' 28' ' ' LEU . 29.9 tt0 -44.26 -50.05 9.07 Favored 'General case' 0 CA--C 1.551 1.002 0 N-CA-C 115.944 1.831 . . . . 2.34 115.944 -169.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -64.0 -48.38 76.6 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 109.255 -0.646 . . . . 3.05 109.255 179.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -64.95 -30.23 71.21 Favored 'General case' 0 C--O 1.222 -0.347 0 CA-C-N 115.932 -0.577 . . . . 2.53 111.47 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.474 HD11 ' HB1' ' A' ' 2' ' ' ALA . 31.5 mm -59.5 -53.32 49.83 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 N-CA-C 108.733 -0.84 . . . . 1.16 108.733 175.199 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.554 HG21 HD21 ' A' ' 28' ' ' LEU . 80.0 t -59.89 -47.1 92.83 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 CA-C-N 116.373 -0.376 . . . . 1.22 110.138 178.675 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.98 -41.37 74.69 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.967 -0.56 . . . . 1.24 111.142 178.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.27 -46.19 80.9 Favored Glycine 0 N--CA 1.435 -1.368 0 N-CA-C 110.39 -1.084 . . . . 0.38 110.39 178.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.512 HD13 ' HA ' ' A' ' 8' ' ' VAL . 94.3 mt -54.13 -48.51 70.71 Favored 'General case' 0 CA--C 1.514 -0.426 0 C-N-CA 123.725 0.81 . . . . 1.12 110.27 177.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.61 -27.92 65.12 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.119 -0.946 . . . . 1.1 113.416 -177.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -68.25 -44.32 75.91 Favored 'General case' 0 C--O 1.245 0.826 0 C-N-CA 119.645 -0.822 . . . . 2.48 110.546 178.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.775 ' HB ' HG23 ' A' ' 46' ' ' VAL . 3.6 mp -75.86 -33.19 25.09 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.885 0 N-CA-C 108.347 -0.983 . . . . 1.14 108.347 178.56 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.514 HG12 HG13 ' A' ' 21' ' ' ILE . 96.3 t -65.78 -28.95 45.45 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.201 0 CA-C-O 121.504 0.668 . . . . 1.11 110.763 177.005 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -72.1 -33.28 67.73 Favored 'General case' 0 C--O 1.212 -0.921 0 CA-C-O 121.209 0.528 . . . . 0.95 109.86 174.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -70.31 -51.23 31.79 Favored 'General case' 0 C--N 1.307 -1.24 0 N-CA-C 109.434 -0.58 . . . . 2.11 109.434 177.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.557 HG13 ' HB ' ' A' ' 46' ' ' VAL . 49.7 mm -70.35 -53.67 21.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.616 -0.72 . . . . 1.33 111.829 -177.254 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -102.89 -50.91 3.4 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-O 120.972 0.415 . . . . 1.22 111.245 -174.566 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 107.12 41.54 1.65 Allowed Glycine 0 C--N 1.308 -1.009 0 C-N-CA 119.818 -1.182 . . . . 0.93 113.277 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.514 HG13 HG12 ' A' ' 15' ' ' VAL . 2.2 pp -91.2 158.67 40.94 Favored Pre-proline 0 C--N 1.308 -1.224 0 O-C-N 122.673 -0.31 . . . . 1.31 111.446 178.653 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -69.26 124.77 11.63 Favored 'Trans proline' 0 N--CA 1.446 -1.323 0 C-N-CA 121.938 1.759 . . . . 0.86 109.282 173.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 10.6 p -54.25 -30.5 20.82 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.076 0 C-N-CA 124.042 0.937 . . . . 2.05 112.343 -178.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -88.96 -4.74 58.35 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 111.951 0.352 . . . . 2.03 111.951 -178.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -84.94 -46.29 11.39 Favored 'General case' 0 CA--C 1.502 -0.879 0 C-N-CA 120.426 -0.51 . . . . 1.07 109.676 -178.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 1.032 ' HB ' HD23 ' A' ' 36' ' ' LEU . 1.9 p -80.45 101.54 5.58 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.581 0 CA-C-O 122.138 0.97 . . . . 1.46 111.127 178.27 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 64.7 mttm -118.0 -165.43 1.1 Allowed 'General case' 0 C--N 1.294 -1.819 0 CA-C-N 113.86 -1.518 . . . . 3.36 107.725 175.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.554 HD21 HG21 ' A' ' 8' ' ' VAL . 4.0 mm? -55.74 -26.43 45.48 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 115.06 1.504 . . . . 1.64 115.06 -178.074 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -93.16 64.23 3.78 Favored 'General case' 0 C--N 1.31 -1.151 0 C-N-CA 120.536 -0.466 . . . . 2.47 110.233 178.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.716 ' HG3' ' HA ' ' A' ' 26' ' ' VAL . 35.0 mmtm -144.46 160.68 40.68 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.118 -0.946 . . . . 1.67 111.885 178.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.439 ' H ' ' HB3' ' A' ' 35' ' ' ASP . 30.3 t -140.59 149.94 42.99 Favored 'General case' 0 C--N 1.285 -2.235 0 N-CA-C 104.334 -2.469 . . . . 1.72 104.334 172.3 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.477 ' HA ' HD12 ' A' ' 36' ' ' LEU . 97.5 m-85 -66.98 -46.34 74.88 Favored 'General case' 0 C--N 1.297 -1.684 0 N-CA-C 114.02 1.118 . . . . 1.03 114.02 -165.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.867 HG21 ' HB3' ' A' ' 40' ' ' SER . 10.1 t -120.12 18.98 12.32 Favored 'General case' 0 C--N 1.278 -2.535 0 C-N-CA 118.861 -1.136 . . . . 1.85 110.456 -179.56 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -121.26 -43.28 2.43 Favored 'General case' 0 C--N 1.3 -1.553 0 CA-C-N 115.22 -0.9 . . . . 2.31 111.56 -179.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.447 ' HB3' ' HD3' ' A' ' 30' ' ' LYS . 3.9 t70 -104.67 -23.55 13.07 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 108.094 -1.076 . . . . 1.67 108.094 179.168 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 1.032 HD23 ' HB ' ' A' ' 26' ' ' VAL . 39.2 mt -97.7 179.63 4.76 Favored 'General case' 0 CA--C 1.51 -0.586 0 CA-C-N 115.433 -0.803 . . . . 1.23 110.247 178.448 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -108.37 23.21 14.86 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-O 121.622 0.725 . . . . 2.15 110.033 -177.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.426 HG23 ' HB3' ' A' ' 36' ' ' LEU . 23.4 t -88.49 128.84 40.47 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.718 0 N-CA-C 107.441 -1.318 . . . . 2.86 107.441 -179.296 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.458 ' O ' ' HB3' ' A' ' 42' ' ' SER . 37.4 m-20 -69.94 144.41 52.39 Favored 'General case' 0 C--N 1.293 -1.855 0 N-CA-C 108.079 -1.082 . . . . 2.96 108.079 175.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.867 ' HB3' HG21 ' A' ' 33' ' ' THR . 46.8 p -67.58 -39.02 84.87 Favored 'General case' 0 C--N 1.295 -1.761 0 CA-C-O 121.438 0.637 . . . . 1.56 111.538 -177.219 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.7 mp -71.17 -15.78 62.5 Favored 'General case' 0 C--N 1.307 -1.279 0 CA-C-O 121.595 0.712 . . . . 1.81 109.854 177.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.458 ' HB3' ' O ' ' A' ' 39' ' ' ASP . 47.4 t -85.28 -39.35 17.83 Favored 'General case' 0 CA--C 1.554 1.121 0 C-N-CA 124.456 1.102 . . . . 1.5 111.439 179.733 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.403 ' HA ' HG13 ' A' ' 46' ' ' VAL . 30.2 ttp -57.89 -22.84 50.4 Favored 'General case' 0 N--CA 1.496 1.834 0 CA-C-O 121.173 0.511 . . . . 1.2 111.955 -176.406 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 61.9 t -51.41 -36.27 17.33 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.693 0 C-N-CA 123.866 0.866 . . . . 1.3 111.331 179.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -72.52 -42.46 64.77 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.879 0.371 . . . . 2.06 111.596 178.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.775 HG23 ' HB ' ' A' ' 14' ' ' ILE . 5.2 p -74.11 -31.15 28.92 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.523 0 O-C-N 121.807 -0.558 . . . . 2.03 112.275 -178.381 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 13.4 p -67.87 -33.3 60.66 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.695 0 C-N-CA 119.995 -0.682 . . . . 1.22 111.831 -179.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 14.1 p -77.47 -25.19 14.88 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.655 0 CA-C-O 121.63 0.728 . . . . 1.35 110.188 178.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.35 -19.07 36.8 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.317 0.579 . . . . 1.09 110.567 178.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.12 -25.68 55.62 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 116.059 -0.519 . . . . 1.07 111.426 -179.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -60.05 -58.55 8.07 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.158 -0.474 . . . . 0.8 110.42 -179.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.4 ' HG3' ' N ' ' A' ' 53' ' ' ARG . 9.4 pt-20 -63.22 -33.37 75.35 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 121.8 0.809 . . . . 0.96 110.861 -179.709 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.4 ' N ' ' HG3' ' A' ' 52' ' ' GLU . 10.0 tpt180 -66.16 -43.72 86.17 Favored 'General case' 0 N--CA 1.435 -1.177 0 CA-C-N 114.911 -1.04 . . . . 4.41 111.479 -175.613 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -103.39 7.94 38.08 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 112.689 0.626 . . . . 0.49 112.689 -176.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 64.99 33.5 9.69 Favored 'General case' 0 N--CA 1.486 1.357 0 O-C-N 123.965 0.791 . . . . 1.95 110.558 178.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.714 HG23 ' H ' ' A' ' 57' ' ' LYS . 9.1 p -122.09 -169.88 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.295 -1.791 0 N-CA-C 108.581 -0.896 . . . . 1.96 108.581 -175.704 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.714 ' H ' HG23 ' A' ' 56' ' ' VAL . 25.6 tptp -150.94 129.61 12.3 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 104.396 -2.446 . . . . 3.77 104.396 176.54 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 39.0 mt -126.76 102.51 25.32 Favored Pre-proline 0 C--N 1.307 -1.273 0 CA-C-N 118.198 0.453 . . . . 1.24 110.265 -172.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.458 ' O ' HG21 ' A' ' 63' ' ' VAL . 19.9 Cg_exo -65.8 144.48 77.57 Favored 'Trans proline' 0 C--O 1.237 0.464 0 C-N-CA 122.894 2.396 . . . . 0.79 111.672 -179.363 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.421 ' O ' ' HB ' ' A' ' 63' ' ' VAL . 17.6 t70 -56.72 -39.44 73.93 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.326 0.65 . . . . 2.3 112.646 -176.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -63.5 -36.66 84.5 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 120.736 -0.386 . . . . 2.38 110.893 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.551 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 3.6 m-20 -74.34 -30.64 62.12 Favored 'General case' 0 C--O 1.215 -0.722 0 CA-C-N 116.521 -0.309 . . . . 1.52 110.61 177.476 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.458 HG21 ' O ' ' A' ' 59' ' ' PRO . 94.2 t -58.82 -58.06 8.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 108.235 -1.024 . . . . 1.42 108.235 173.487 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -61.22 -22.08 64.45 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 115.925 -0.58 . . . . 1.93 111.505 178.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.498 ' HB3' ' HA ' ' A' ' 62' ' ' ASP . 24.4 t-20 -79.91 -23.68 41.63 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 115.874 -0.603 . . . . 2.65 112.275 -179.777 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' A' ' 62' ' ' ASP . 89.5 mt -85.52 -176.87 6.27 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.803 -0.443 . . . . 1.24 109.803 -179.156 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -145.86 -52.77 0.26 Allowed 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 113.051 0.759 . . . . 3.26 113.051 -179.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.481 ' HB ' ' O ' ' A' ' 30' ' ' LYS . 61.0 p -112.0 -171.82 1.92 Allowed 'General case' 0 C--N 1.319 -0.733 0 O-C-N 121.165 -0.959 . . . . 1.17 110.279 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.409 HG11 ' CZ ' ' A' ' 32' ' ' PHE . 23.7 m -81.4 -13.83 12.56 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.766 0 N-CA-C 109.29 -0.633 . . . . 1.35 109.29 176.042 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -74.77 -28.9 62.06 Favored Glycine 0 N--CA 1.441 -1.011 0 N-CA-C 109.29 -1.524 . . . . 0.46 109.29 175.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.445 ' HB3' HD23 ' A' ' 66' ' ' LEU . 9.4 m-20 -79.9 -37.0 35.63 Favored 'General case' 0 C--N 1.312 -1.024 0 N-CA-C 109.197 -0.668 . . . . 1.62 109.197 177.072 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.483 ' HA ' HD11 ' A' ' 66' ' ' LEU . . . -63.91 -53.5 49.4 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 114.817 -1.083 . . . . 1.21 110.084 -178.727 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.471 ' HA ' HG23 ' A' ' 7' ' ' ILE . 8.6 p -52.55 -47.04 67.03 Favored 'General case' 0 N--CA 1.449 -0.518 0 O-C-N 123.969 0.793 . . . . 1.16 111.802 -179.733 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -54.74 -54.04 47.18 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 124.101 0.876 . . . . 4.01 110.466 179.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -62.9 -45.5 92.23 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 123.523 0.514 . . . . 1.09 110.841 -176.177 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.42 HG21 HG13 ' A' ' 56' ' ' VAL . 91.9 mt -61.78 -60.89 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.039 0 CA-C-N 115.725 -0.671 . . . . 1.26 110.121 -179.683 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 60.9 tp -56.87 -31.4 64.78 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 123.839 0.855 . . . . 2.3 112.228 -177.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 23.8 t70 . . . . . 0 C--N 1.307 -1.257 0 CA-C-O 121.039 0.447 . . . . 1.32 111.656 -179.168 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . 0.462 ' HB1' ' HB2' ' A' ' 6' ' ' GLU . . . . . . . . 0 N--CA 1.434 -1.25 0 N-CA-C 107.681 -1.229 . . . . 1.46 107.681 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.448 ' O ' HG12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -92.29 179.68 5.48 Favored 'General case' 0 C--N 1.297 -1.688 0 C-N-CA 118.531 -1.267 . . . . 2.11 109.929 -178.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -46.01 -47.81 16.77 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.37 1.068 . . . . 2.34 112.991 -174.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -59.84 -53.24 60.18 Favored 'General case' 0 C--N 1.307 -1.254 0 C-N-CA 123.503 0.721 . . . . 3.05 110.131 -177.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.462 ' HB2' ' HB1' ' A' ' 2' ' ' ALA . 15.2 mm-40 -67.75 -30.83 70.39 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.341 -0.845 . . . . 2.53 110.888 -179.497 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.448 HG12 ' O ' ' A' ' 3' ' ' THR . 30.3 mm -65.36 -48.45 83.15 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.103 0 CA-C-N 116.074 -0.512 . . . . 1.16 109.641 177.434 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.539 ' HA ' HD11 ' A' ' 11' ' ' LEU . 82.5 t -58.42 -39.7 75.63 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 CA-C-O 120.822 0.344 . . . . 1.22 110.429 177.4 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.86 -37.12 75.79 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 115.962 -0.563 . . . . 1.24 110.564 176.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -75.9 -40.11 31.55 Favored Glycine 0 C--O 1.216 -1.003 0 N-CA-C 111.254 -0.739 . . . . 0.38 111.254 177.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.539 HD11 ' HA ' ' A' ' 8' ' ' VAL . 99.2 mt -55.43 -44.23 76.11 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.25 0.62 . . . . 1.12 110.634 179.142 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.3 -20.23 66.31 Favored 'General case' 0 N--CA 1.433 -1.275 0 CA-C-N 115.366 -0.834 . . . . 1.1 112.875 -178.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -62.74 -53.88 47.6 Favored 'General case' 0 CA--C 1.5 -0.959 0 N-CA-C 108.439 -0.949 . . . . 2.48 108.439 177.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.606 ' HB ' HG12 ' A' ' 46' ' ' VAL . 2.9 mp -69.51 -40.49 79.77 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.059 0 CA-C-N 115.506 -0.77 . . . . 1.14 109.105 -177.145 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.603 HG11 HG23 ' A' ' 38' ' ' VAL . 61.1 t -63.06 -36.13 74.59 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.336 0 C-N-CA 120.552 -0.459 . . . . 1.11 111.371 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.431 ' HA ' ' H ' ' A' ' 21' ' ' ILE . 24.7 t-20 -72.42 -39.13 68.12 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 122.046 -0.409 . . . . 0.95 110.309 175.458 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -63.08 -45.68 90.99 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.741 -0.663 . . . . 2.11 110.255 179.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 35.6 mm -80.59 -54.27 10.91 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.93 0 CA-C-N 115.726 -0.67 . . . . 1.33 112.672 -176.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -105.14 -35.94 7.43 Favored 'General case' 0 C--N 1.304 -1.371 0 C-N-CA 120.198 -0.601 . . . . 1.22 112.33 -172.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.74 65.46 1.05 Allowed Glycine 0 C--N 1.306 -1.138 0 C-N-CA 119.991 -1.1 . . . . 0.93 112.573 178.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.477 ' CG1' HG12 ' A' ' 15' ' ' VAL . 2.5 pp -104.08 159.11 30.38 Favored Pre-proline 0 C--N 1.305 -1.348 0 CA-C-N 115.682 -0.259 . . . . 1.31 110.619 178.48 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_exo -72.5 133.58 20.91 Favored 'Trans proline' 0 N--CA 1.446 -1.316 0 C-N-CA 121.746 1.631 . . . . 0.86 108.415 171.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 10.6 p -66.34 -21.63 28.96 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.149 0 CA-C-O 121.458 0.647 . . . . 2.05 112.248 -174.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.443 ' O ' ' HE2' ' A' ' 27' ' ' LYS . 0.8 OUTLIER -93.19 -4.44 52.06 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-N 116.136 -0.484 . . . . 2.03 111.266 179.13 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -82.8 -33.98 27.12 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-O 121.488 0.661 . . . . 1.07 109.218 -179.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 40.0 t -76.98 90.48 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 114.894 -1.048 . . . . 1.46 110.444 -178.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.443 ' HE2' ' O ' ' A' ' 24' ' ' GLU . 74.7 mmtt -113.08 179.89 3.83 Favored 'General case' 0 C--N 1.303 -1.425 0 CA-C-N 114.662 -1.154 . . . . 3.36 108.24 175.788 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.521 HD11 ' HA2' ' A' ' 70' ' ' GLY . 3.7 mm? -67.58 -17.07 64.5 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 115.483 1.66 . . . . 1.64 115.483 -172.774 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -91.08 13.6 16.42 Favored 'General case' 0 C--N 1.311 -1.1 0 CA-C-O 121.069 0.461 . . . . 2.47 111.414 178.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 29.5 mmmt -103.55 143.23 33.02 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 116.115 -0.493 . . . . 1.67 109.733 179.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.513 ' OG ' ' HB3' ' A' ' 34' ' ' ASP . 11.5 p -114.1 156.73 23.64 Favored 'General case' 0 C--N 1.286 -2.155 0 N-CA-C 107.122 -1.436 . . . . 1.72 107.122 172.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.616 ' HA ' HD11 ' A' ' 36' ' ' LEU . 96.3 m-85 -70.45 -36.23 73.82 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 114.206 1.187 . . . . 1.03 114.206 -168.169 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.539 HG22 ' HB3' ' A' ' 40' ' ' SER . 10.6 t -122.51 11.26 9.89 Favored 'General case' 0 N--CA 1.422 -1.844 0 C-N-CA 119.47 -0.892 . . . . 1.85 111.913 -176.295 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.513 ' HB3' ' OG ' ' A' ' 31' ' ' SER . 36.2 t70 -117.46 -50.52 2.54 Favored 'General case' 0 C--N 1.305 -1.357 0 C-N-CA 119.215 -0.994 . . . . 2.31 111.455 177.249 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -90.14 -21.14 22.38 Favored 'General case' 0 CA--C 1.493 -1.215 0 C-N-CA 120.388 -0.525 . . . . 1.67 110.502 178.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.616 HD11 ' HA ' ' A' ' 32' ' ' PHE . 92.8 mt -99.06 171.51 7.99 Favored 'General case' 0 N--CA 1.428 -1.544 0 N-CA-C 109.15 -0.685 . . . . 1.23 109.15 178.38 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -99.33 12.13 37.13 Favored 'General case' 0 C--N 1.309 -1.157 0 CA-C-O 122.758 1.266 . . . . 2.15 109.299 -176.045 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.603 HG23 HG11 ' A' ' 15' ' ' VAL . 23.2 t -85.14 113.93 24.43 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.972 0 CA-C-N 114.266 -1.334 . . . . 2.86 108.797 -176.516 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.457 ' O ' ' HB2' ' A' ' 42' ' ' SER . 22.1 m-20 -62.01 144.17 55.53 Favored 'General case' 0 C--N 1.306 -1.305 0 N-CA-C 107.824 -1.176 . . . . 2.96 107.824 174.155 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.539 ' HB3' HG22 ' A' ' 33' ' ' THR . 26.4 p -62.79 -40.15 96.45 Favored 'General case' 0 C--N 1.285 -2.226 0 N-CA-C 112.633 0.605 . . . . 1.56 112.633 -175.421 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.0 mp -65.54 -19.95 66.13 Favored 'General case' 0 CA--C 1.552 1.035 0 CA-C-O 121.812 0.815 . . . . 1.81 110.17 177.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.457 ' HB2' ' O ' ' A' ' 39' ' ' ASP . 50.9 m -83.95 -32.1 25.23 Favored 'General case' 0 N--CA 1.439 -0.975 0 CA-C-N 115.607 -0.724 . . . . 1.5 110.465 176.746 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.449 ' HE2' HG13 ' A' ' 63' ' ' VAL . 15.7 ttp -65.86 -21.25 66.45 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.374 0.607 . . . . 1.2 109.784 178.062 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.487 ' HA ' HG12 ' A' ' 47' ' ' VAL . 31.1 t -59.99 -23.51 27.18 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.233 0 CA-C-N 116.094 -0.503 . . . . 1.3 110.346 175.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 -80.19 -22.93 41.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.865 0.84 . . . . 2.06 109.321 176.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.606 HG12 ' HB ' ' A' ' 14' ' ' ILE . 98.2 t -80.62 -50.66 16.9 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.964 0 CA-C-N 114.842 -1.072 . . . . 2.03 109.658 -177.763 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.487 HG12 ' HA ' ' A' ' 44' ' ' VAL . 3.8 p -49.65 -50.16 18.17 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 N-CA-C 113.734 1.013 . . . . 1.22 113.734 -178.233 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -56.78 -51.11 71.38 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.309 0 N-CA-C 108.226 -1.028 . . . . 1.35 108.226 -179.436 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.473 ' O ' ' HG3' ' A' ' 53' ' ' ARG . . . -63.94 -29.45 70.62 Favored 'General case' 0 N--CA 1.423 -1.821 0 CA-C-N 113.623 -1.626 . . . . 1.09 111.426 -176.476 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.7 -39.53 66.92 Favored 'General case' 0 C--N 1.308 -1.235 0 CA-C-N 116.156 -0.474 . . . . 1.07 111.298 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -54.67 -48.19 72.67 Favored 'General case' 0 C--O 1.223 -0.292 0 O-C-N 123.348 0.405 . . . . 0.8 110.299 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -69.82 -43.84 71.17 Favored 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 112.555 0.576 . . . . 0.96 112.555 -178.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.473 ' HG3' ' O ' ' A' ' 49' ' ' ALA . 89.3 mtt180 -67.29 -37.99 84.3 Favored 'General case' 0 N--CA 1.462 0.165 0 C-N-CA 120.556 -0.458 . . . . 4.41 112.04 -176.102 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -95.24 0.56 54.05 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 112.191 0.441 . . . . 0.49 112.191 -177.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 61.32 36.92 17.42 Favored 'General case' 0 N--CA 1.486 1.357 0 CA-C-O 121.635 0.731 . . . . 1.95 110.729 -179.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.665 HG23 ' H ' ' A' ' 57' ' ' LYS . 8.7 p -122.49 -171.85 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.452 0 CA-C-N 115.583 -0.735 . . . . 1.96 109.487 -175.002 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.665 ' H ' HG23 ' A' ' 56' ' ' VAL . 68.5 mttm -138.18 131.31 30.15 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 106.141 -1.8 . . . . 3.77 106.141 175.769 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 52.7 mt -133.89 88.61 31.97 Favored Pre-proline 0 C--N 1.298 -1.664 0 N-CA-C 108.263 -1.014 . . . . 1.24 108.263 -178.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.407 ' O ' HG21 ' A' ' 63' ' ' VAL . 26.6 Cg_exo -65.43 143.47 76.21 Favored 'Trans proline' 0 N--CA 1.453 -0.866 0 C-N-CA 122.961 2.441 . . . . 0.79 112.137 -178.693 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -58.24 -24.27 58.71 Favored 'General case' 0 C--N 1.317 -0.814 0 C-N-CA 124.242 1.017 . . . . 2.3 113.36 -177.117 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -74.63 -41.48 60.32 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 108.825 -0.806 . . . . 2.38 108.825 177.003 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.487 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 22.8 m-20 -68.79 -33.46 73.91 Favored 'General case' 0 CA--C 1.498 -1.027 0 CA-C-N 115.929 -0.578 . . . . 1.52 110.642 177.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.449 HG13 ' HE2' ' A' ' 43' ' ' MET . 52.7 t -52.89 -54.48 16.33 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.525 0 O-C-N 124.06 0.85 . . . . 1.42 109.9 173.601 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 39.3 mtmm -67.04 -11.85 58.25 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 112.833 0.679 . . . . 1.93 112.833 -177.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -91.94 -20.29 21.55 Favored 'General case' 0 C--N 1.307 -1.254 0 CA-C-O 121.282 0.563 . . . . 2.65 109.685 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.534 HD12 ' HA ' ' A' ' 72' ' ' ALA . 89.0 mt -88.07 166.03 14.72 Favored 'General case' 0 N--CA 1.44 -0.97 0 N-CA-C 109.245 -0.65 . . . . 1.24 109.245 -178.424 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.402 ' HB3' ' HE3' ' A' ' 67' ' ' LYS . 4.4 ptpp? -137.43 -56.26 0.7 Allowed 'General case' 0 C--N 1.311 -1.107 0 N-CA-C 113.924 1.083 . . . . 3.26 113.924 -176.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.458 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 68.9 p -105.82 -179.87 4.07 Favored 'General case' 0 C--N 1.309 -1.174 0 O-C-N 121.435 -0.791 . . . . 1.17 109.974 -179.099 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.404 HG13 ' CZ ' ' A' ' 32' ' ' PHE . 19.6 m -77.24 -22.75 14.48 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.948 0 N-CA-C 109.444 -0.576 . . . . 1.35 109.444 176.399 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.521 ' HA2' HD11 ' A' ' 28' ' ' LEU . . . -76.17 -36.61 39.72 Favored Glycine 0 CA--C 1.496 -1.129 0 N-CA-C 109.793 -1.323 . . . . 0.46 109.793 177.543 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.419 ' OD2' ' HA ' ' A' ' 66' ' ' LEU . 21.5 t0 -72.82 -34.49 66.88 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-N 114.835 -0.683 . . . . 1.62 110.278 177.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.534 ' HA ' HD12 ' A' ' 66' ' ' LEU . . . -76.01 -37.93 57.88 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.912 -0.585 . . . . 1.21 111.856 -177.695 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.428 ' HA ' HD13 ' A' ' 76' ' ' ILE . 6.0 p -63.58 -24.55 67.85 Favored 'General case' 0 N--CA 1.44 -0.934 0 N-CA-C 113.808 1.04 . . . . 1.16 113.808 -177.371 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -69.98 -39.14 76.12 Favored 'General case' 0 C--O 1.211 -0.948 0 N-CA-C 110.121 -0.325 . . . . 4.01 110.121 178.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 78.4 t80 -68.08 -34.71 76.94 Favored 'General case' 0 C--O 1.25 1.121 0 CA-C-O 121.931 0.872 . . . . 1.09 109.943 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.428 HD13 ' HA ' ' A' ' 73' ' ' THR . 82.2 mt -68.3 -57.44 9.13 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.231 0 CA-C-N 114.977 -1.011 . . . . 1.26 108.855 177.678 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 51.7 tp -59.47 -24.42 63.55 Favored 'General case' 0 C--N 1.345 0.406 0 C-N-CA 123.739 0.816 . . . . 2.3 111.504 -178.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 14.5 t70 . . . . . 0 C--N 1.313 -1.006 0 CA-C-N 115.212 -0.904 . . . . 1.32 111.142 176.501 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.489 -1.401 0 CA-C-O 121.553 0.692 . . . . 1.46 110.01 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.512 ' O ' HG12 ' A' ' 7' ' ' ILE . 25.0 p -105.12 -174.96 2.66 Favored 'General case' 0 N--CA 1.409 -2.476 0 CA-C-N 114.859 -1.064 . . . . 2.11 112.03 -178.325 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -46.46 -46.42 18.86 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 115.598 1.703 . . . . 2.34 115.598 -171.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -74.91 -25.55 59.0 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-O 121.649 0.738 . . . . 3.05 110.624 -174.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -83.82 -36.79 23.24 Favored 'General case' 0 C--N 1.299 -1.623 0 N-CA-C 108.532 -0.914 . . . . 2.53 108.532 178.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.512 HG12 ' O ' ' A' ' 3' ' ' THR . 35.8 mm -65.73 -59.6 3.82 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.98 0 CA-C-N 114.513 -1.222 . . . . 1.16 111.156 -179.304 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 89.2 t -55.16 -48.0 76.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 O-C-N 122.992 0.182 . . . . 1.22 110.739 -177.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.451 ' O ' ' HG2' ' A' ' 13' ' ' GLU . . . -55.13 -45.6 75.6 Favored 'General case' 0 C--O 1.22 -0.474 0 O-C-N 123.52 0.512 . . . . 1.24 110.969 177.09 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.428 ' HA3' ' CZ ' ' A' ' 54' ' ' PHE . . . -66.21 -40.3 94.8 Favored Glycine 0 C--O 1.221 -0.718 0 N-CA-C 111.058 -0.817 . . . . 0.38 111.058 -179.247 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 97.2 mt -58.34 -47.27 84.29 Favored 'General case' 0 CA--C 1.511 -0.527 0 N-CA-C 109.547 -0.538 . . . . 1.12 109.547 176.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.79 -25.63 64.8 Favored 'General case' 0 C--O 1.201 -1.474 0 CA-C-N 115.474 -0.785 . . . . 1.1 111.897 -179.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.451 ' HG2' ' O ' ' A' ' 9' ' ' ALA . 33.8 mm-40 -59.8 -49.64 76.91 Favored 'General case' 0 C--O 1.239 0.537 0 N-CA-C 109.802 -0.444 . . . . 2.48 109.802 174.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.834 ' HB ' HG22 ' A' ' 46' ' ' VAL . 5.2 mp -73.51 -45.73 50.75 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.977 0 C-N-CA 119.963 -0.695 . . . . 1.14 109.752 177.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.77 HG23 HG21 ' A' ' 46' ' ' VAL . 91.1 t -60.92 -23.71 30.43 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.159 0 N-CA-C 112.554 0.575 . . . . 1.11 112.554 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -65.59 -38.48 89.6 Favored 'General case' 0 C--N 1.313 -0.996 0 O-C-N 121.463 -0.773 . . . . 0.95 110.718 176.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -76.61 -32.61 58.17 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-O 121.232 0.539 . . . . 2.11 109.84 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 65.8 mt -81.63 -53.49 11.98 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.812 0 CA-C-N 115.565 -0.743 . . . . 1.33 112.408 -177.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -100.8 -30.52 11.65 Favored 'General case' 0 C--N 1.314 -0.962 0 N-CA-C 112.32 0.489 . . . . 1.22 112.32 -175.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.71 47.07 5.5 Favored Glycine 0 C--N 1.31 -0.893 0 C-N-CA 120.372 -0.918 . . . . 0.93 111.219 -177.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 2.3 pp -106.01 157.46 34.73 Favored Pre-proline 0 C--N 1.31 -1.139 0 N-CA-C 111.612 0.227 . . . . 1.31 111.612 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_exo -75.62 135.37 17.88 Favored 'Trans proline' 0 N--CA 1.449 -1.14 0 C-N-CA 122.641 2.227 . . . . 0.86 109.431 174.009 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 32.8 m -68.13 -20.36 25.62 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.175 0 N-CA-C 112.425 0.528 . . . . 2.05 112.425 -176.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -94.74 -5.14 46.02 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-O 120.92 0.39 . . . . 2.03 110.926 178.657 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 39.2 t70 -82.49 -34.52 27.99 Favored 'General case' 0 CA--C 1.496 -1.108 0 N-CA-C 108.296 -1.002 . . . . 1.07 108.296 178.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.704 ' HA ' ' HG3' ' A' ' 30' ' ' LYS . 41.8 t -79.17 88.75 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.338 0 CA-C-N 114.275 -1.33 . . . . 1.46 109.535 178.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -99.29 -178.37 3.89 Favored 'General case' 0 C--N 1.304 -1.407 0 N-CA-C 107.218 -1.401 . . . . 3.36 107.218 172.131 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.587 ' HA ' HG21 ' A' ' 69' ' ' VAL . 5.6 mp -64.88 -20.88 66.66 Favored 'General case' 0 C--N 1.312 -1.062 0 N-CA-C 115.35 1.611 . . . . 1.64 115.35 -169.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -85.96 -0.92 56.68 Favored 'General case' 0 C--N 1.311 -1.088 0 C-N-CA 120.486 -0.486 . . . . 2.47 111.398 -179.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.704 ' HG3' ' HA ' ' A' ' 26' ' ' VAL . 28.4 mmtm -80.45 132.08 35.67 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 112.16 0.43 . . . . 1.67 112.16 -179.077 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.4 ' HB2' HG21 ' A' ' 68' ' ' THR . 30.7 t -111.12 149.45 30.83 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 108.088 -1.078 . . . . 1.72 108.088 173.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.436 ' O ' ' HB2' ' A' ' 36' ' ' LEU . 97.8 m-85 -64.73 -54.59 29.12 Favored 'General case' 0 C--O 1.22 -0.464 0 N-CA-C 113.493 0.923 . . . . 1.03 113.493 -169.62 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.604 HG23 ' HB3' ' A' ' 40' ' ' SER . 8.0 t -128.27 71.99 1.41 Allowed 'General case' 0 C--N 1.29 -1.983 0 CA-C-O 122.958 1.361 . . . . 1.85 109.3 178.198 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -170.19 -42.93 0.02 OUTLIER 'General case' 0 C--N 1.31 -1.15 0 CA-C-N 112.958 -1.928 . . . . 2.31 107.543 -176.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -107.89 -44.87 4.11 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 107.874 -1.158 . . . . 1.67 107.874 176.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.682 HD22 ' HD2' ' A' ' 30' ' ' LYS . 79.0 mt -90.7 174.61 7.39 Favored 'General case' 0 N--CA 1.443 -0.822 0 CA-C-N 114.707 -1.133 . . . . 1.23 110.202 178.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -109.04 29.26 7.66 Favored 'General case' 0 C--N 1.315 -0.928 0 C-N-CA 123.786 0.834 . . . . 2.15 109.599 -178.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.464 ' O ' ' HB ' ' A' ' 33' ' ' THR . 47.1 t -77.93 118.1 24.31 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.118 0 CA-C-N 115.115 -0.948 . . . . 2.86 109.038 -178.659 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.402 ' HB2' ' HB2' ' A' ' 42' ' ' SER . 9.2 m-20 -52.66 130.85 33.59 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 108.86 -0.793 . . . . 2.96 108.86 175.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.604 ' HB3' HG23 ' A' ' 33' ' ' THR . 70.3 p -66.66 -49.49 65.99 Favored 'General case' 0 C--N 1.299 -1.626 0 CA-C-N 116.369 -0.378 . . . . 1.56 111.735 -173.108 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.7 mp -60.67 -26.43 67.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.685 0.755 . . . . 1.81 110.199 178.11 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.402 ' HB2' ' HB2' ' A' ' 39' ' ' ASP . 32.4 m -82.9 -24.32 33.18 Favored 'General case' 0 N--CA 1.432 -1.374 0 CA-C-N 115.558 -0.746 . . . . 1.5 110.892 179.455 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.482 ' O ' HG11 ' A' ' 46' ' ' VAL . 12.5 tmm? -70.85 -25.56 62.88 Favored 'General case' 0 C--O 1.215 -0.738 0 CA-C-O 122.142 0.973 . . . . 1.2 108.444 177.325 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.464 ' HA ' HG11 ' A' ' 47' ' ' VAL . 33.2 t -61.61 -27.92 43.06 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.739 0 CA-C-O 122.067 0.937 . . . . 1.3 108.792 175.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -80.09 -20.41 45.16 Favored 'General case' 0 N--CA 1.424 -1.728 0 CA-C-N 114.668 -1.151 . . . . 2.06 111.314 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.834 HG22 ' HB ' ' A' ' 14' ' ' ILE . 12.6 p -87.95 -35.64 8.43 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.05 0 C-N-CA 119.825 -0.75 . . . . 2.03 110.053 175.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.52 HG23 HG21 ' A' ' 63' ' ' VAL . 12.9 p -66.18 -40.7 87.71 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 C-N-CA 119.872 -0.731 . . . . 1.22 111.36 179.568 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 11.9 p -65.58 -34.53 71.04 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 CA-C-O 121.353 0.596 . . . . 1.35 110.036 177.098 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -75.28 -26.86 59.1 Favored 'General case' 0 C--O 1.21 -1.004 0 CA-C-N 115.982 -0.554 . . . . 1.09 110.335 178.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.38 -34.29 70.28 Favored 'General case' 0 C--N 1.308 -1.225 0 CA-C-N 116.57 -0.286 . . . . 1.07 110.323 179.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.578 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 39.8 mt-10 -59.1 -41.36 87.94 Favored 'General case' 0 C--O 1.217 -0.646 0 O-C-N 123.607 0.567 . . . . 0.8 110.69 179.011 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -83.75 -35.78 24.11 Favored 'General case' 0 C--N 1.307 -1.244 0 CA-C-N 116.16 -0.473 . . . . 0.96 111.839 178.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.5 tpm_? -67.99 -49.24 62.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.165 0.507 . . . . 4.41 111.269 -177.009 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.44 ' HB2' HG11 ' A' ' 56' ' ' VAL . 51.5 m-85 -97.66 -5.39 35.45 Favored 'General case' 0 C--N 1.306 -1.32 0 CA-C-N 115.95 -0.568 . . . . 0.49 111.165 -175.741 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.7 t70 76.57 -12.45 1.04 Allowed 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 124.631 1.172 . . . . 1.95 112.175 178.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.613 HG12 HG22 ' A' ' 76' ' ' ILE . 6.4 p -83.07 110.76 18.44 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.258 0 CA-C-O 121.837 0.827 . . . . 1.96 110.514 178.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 33.5 mtmm -75.27 129.21 37.05 Favored 'General case' 0 C--N 1.289 -2.034 0 CA-C-N 115.316 -0.856 . . . . 3.77 109.356 179.089 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 46.0 mt -122.31 103.77 38.37 Favored Pre-proline 0 C--N 1.304 -1.373 0 N-CA-C 108.868 -0.79 . . . . 1.24 108.868 -172.405 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.497 ' O ' HG23 ' A' ' 63' ' ' VAL . 27.6 Cg_exo -65.87 152.45 81.45 Favored 'Trans proline' 0 CA--C 1.534 0.499 0 C-N-CA 123.801 3.001 . . . . 0.79 113.341 -178.733 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -52.66 -44.83 66.43 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 125.257 1.423 . . . . 2.3 111.417 -179.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -63.69 -25.3 68.14 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.081 -0.963 . . . . 2.38 111.806 179.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.418 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 54.0 m-20 -86.51 -37.32 18.34 Favored 'General case' 0 CA--C 1.503 -0.864 0 O-C-N 122.252 -0.28 . . . . 1.52 111.23 178.337 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.52 HG21 HG23 ' A' ' 47' ' ' VAL . 64.6 t -54.44 -55.24 15.96 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 123.111 0.564 . . . . 1.42 109.535 177.559 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -66.23 -12.06 53.85 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.408 -0.815 . . . . 1.93 112.347 -178.172 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -95.81 -3.54 45.44 Favored 'General case' 0 C--N 1.308 -1.199 0 CA-C-O 121.113 0.482 . . . . 2.65 110.092 -175.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.457 HD11 ' HA ' ' A' ' 72' ' ' ALA . 78.4 mt -106.95 175.74 5.4 Favored 'General case' 0 C--N 1.313 -1.009 0 C-N-CA 120.399 -0.52 . . . . 1.24 110.398 -178.806 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 47.6 pttt -139.97 -59.6 0.55 Allowed 'General case' 0 N--CA 1.438 -1.053 0 N-CA-C 113.262 0.838 . . . . 3.26 113.262 178.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.4 HG21 ' HB2' ' A' ' 31' ' ' SER . 68.3 p -98.97 -179.26 4.21 Favored 'General case' 0 C--N 1.309 -1.173 0 O-C-N 121.457 -0.777 . . . . 1.17 110.86 -179.42 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.587 HG21 ' HA ' ' A' ' 28' ' ' LEU . 35.7 m -79.48 -13.11 13.31 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.669 0 CA-C-O 121.395 0.617 . . . . 1.35 109.455 173.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -75.64 -25.83 66.66 Favored Glycine 0 N--CA 1.435 -1.413 0 N-CA-C 109.087 -1.605 . . . . 0.46 109.087 172.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.735 ' HA ' ' HE2' ' A' ' 74' ' ' LYS . 18.8 m-20 -80.67 -34.95 34.37 Favored 'General case' 0 CA--C 1.505 -0.755 0 N-CA-C 109.628 -0.508 . . . . 1.62 109.628 174.602 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.457 ' HA ' HD11 ' A' ' 66' ' ' LEU . . . -63.18 -53.24 56.27 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 115.238 -0.892 . . . . 1.21 110.063 -179.567 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.5 p -57.0 -51.0 70.99 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 115.711 -0.677 . . . . 1.16 110.606 177.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.735 ' HE2' ' HA ' ' A' ' 71' ' ' ASP . 37.6 ttpt -49.06 -42.74 39.67 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 124.432 1.093 . . . . 4.01 111.803 177.639 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -73.05 -50.17 24.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.091 0.472 . . . . 1.09 110.742 178.371 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.613 HG22 HG12 ' A' ' 56' ' ' VAL . 56.2 mt -53.9 -57.71 5.03 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.226 0 CA-C-N 115.456 -0.793 . . . . 1.26 112.168 -178.623 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 10.9 mp -58.84 -21.78 57.49 Favored 'General case' 0 C--N 1.317 -0.832 0 C-N-CA 123.641 0.776 . . . . 2.3 112.272 179.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 18.6 t70 . . . . . 0 C--N 1.313 -0.993 0 CA-C-O 121.594 0.711 . . . . 1.32 110.041 177.624 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.704 0 N-CA-C 106.479 -1.675 . . . . 1.46 106.479 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.469 ' O ' HG12 ' A' ' 7' ' ' ILE . 1.2 m -97.09 172.86 7.57 Favored 'General case' 0 C--N 1.295 -1.767 0 C-N-CA 119.031 -1.068 . . . . 2.11 112.771 -171.447 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.448 ' O ' HG23 ' A' ' 8' ' ' VAL . 62.2 tt0 -40.01 -56.31 1.87 Allowed 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 126.452 1.901 . . . . 2.34 115.345 -170.3 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -66.23 -37.74 86.25 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 118.816 0.734 . . . . 3.05 111.438 -177.179 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -74.51 -27.52 60.58 Favored 'General case' 0 N--CA 1.438 -1.05 0 N-CA-C 109.077 -0.712 . . . . 2.53 109.077 -178.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.469 HG12 ' O ' ' A' ' 3' ' ' THR . 37.0 mm -68.22 -48.8 72.05 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.105 0 N-CA-C 108.594 -0.891 . . . . 1.16 108.594 173.577 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.455 ' HA ' HD11 ' A' ' 11' ' ' LEU . 88.8 t -53.19 -46.87 56.56 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 CA-C-N 115.881 -0.599 . . . . 1.22 110.233 177.323 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.539 ' O ' ' HG3' ' A' ' 13' ' ' GLU . . . -53.31 -46.6 69.46 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 123.852 0.72 . . . . 1.24 110.807 177.489 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.8 -39.95 93.63 Favored Glycine 0 N--CA 1.444 -0.828 0 N-CA-C 111.529 -0.628 . . . . 0.38 111.529 -179.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.455 HD11 ' HA ' ' A' ' 8' ' ' VAL . 91.0 mt -57.86 -51.66 68.69 Favored 'General case' 0 C--O 1.243 0.744 0 C-N-CA 123.257 0.623 . . . . 1.12 111.018 178.642 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.33 -22.35 66.92 Favored 'General case' 0 N--CA 1.443 -0.803 0 CA-C-N 115.371 -0.831 . . . . 1.1 112.797 -176.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.539 ' HG3' ' O ' ' A' ' 9' ' ' ALA . 42.7 mt-10 -62.78 -49.98 72.83 Favored 'General case' 0 C--O 1.243 0.761 0 CA-C-O 120.737 0.303 . . . . 2.48 110.523 178.102 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.549 HG22 ' HA ' ' A' ' 46' ' ' VAL . 3.6 mp -71.39 -35.4 57.09 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 N-CA-C 109.281 -0.637 . . . . 1.14 109.281 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 11' ' ' LEU . 21.5 t -69.42 -26.46 31.38 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.213 0 C-N-CA 120.215 -0.594 . . . . 1.11 110.946 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.472 ' O ' ' HA2' ' A' ' 20' ' ' GLY . 24.8 t-20 -74.24 -28.23 61.14 Favored 'General case' 0 C--O 1.214 -0.794 0 O-C-N 121.785 -0.572 . . . . 0.95 110.26 175.685 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -77.46 -52.36 9.23 Favored 'General case' 0 C--N 1.304 -1.386 0 CA-C-O 121.442 0.639 . . . . 2.11 109.741 178.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.595 HD11 HG23 ' A' ' 46' ' ' VAL . 48.3 mt -73.02 -52.41 22.32 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 CA-C-N 115.533 -0.758 . . . . 1.33 112.637 -176.46 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -97.25 -41.86 8.08 Favored 'General case' 0 C--N 1.31 -1.144 0 CA-C-O 120.999 0.428 . . . . 1.22 111.095 -177.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.472 ' HA2' ' O ' ' A' ' 16' ' ' ASN . . . 93.88 43.28 3.9 Favored Glycine 0 C--N 1.309 -0.961 0 C-N-CA 120.155 -1.022 . . . . 0.93 111.821 -179.081 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 2.4 pp -86.55 159.63 52.36 Favored Pre-proline 0 C--N 1.307 -1.251 0 N-CA-C 111.559 0.207 . . . . 1.31 111.559 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -70.4 133.58 24.72 Favored 'Trans proline' 0 N--CA 1.446 -1.306 0 C-N-CA 121.922 1.748 . . . . 0.86 108.6 171.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.9 m -66.36 -26.5 37.96 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.269 0 C-N-CA 120.43 -0.508 . . . . 2.05 112.271 -177.05 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -83.39 -7.67 59.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.838 0.351 . . . . 2.03 110.88 178.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.42 ' O ' ' HE3' ' A' ' 30' ' ' LYS . 25.9 t70 -78.11 -39.71 40.47 Favored 'General case' 0 CA--C 1.501 -0.917 0 N-CA-C 109.346 -0.612 . . . . 1.07 109.346 -177.757 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 52.6 t -71.01 91.34 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.036 0 CA-C-N 114.658 -1.155 . . . . 1.46 110.793 -178.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -113.77 169.83 8.7 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 107.708 -1.219 . . . . 3.36 107.708 173.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 55.3 mt -52.04 -31.12 28.58 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 114.733 1.382 . . . . 1.64 114.733 -170.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -79.24 -5.1 53.58 Favored 'General case' 0 C--N 1.312 -1.032 0 N-CA-C 112.708 0.633 . . . . 2.47 112.708 -179.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.559 ' HB3' ' HG ' ' A' ' 36' ' ' LEU . 73.8 mmtt -87.17 122.22 30.68 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 120.768 0.318 . . . . 1.67 111.387 -178.04 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.627 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 24.1 t -96.22 147.83 23.36 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 107.68 -1.23 . . . . 1.72 107.68 171.768 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.523 ' CZ ' HG13 ' A' ' 69' ' ' VAL . 91.9 m-85 -59.01 -36.96 75.81 Favored 'General case' 0 CA--C 1.513 -0.457 0 N-CA-C 113.316 0.858 . . . . 1.03 113.316 -170.403 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.8 t -136.63 76.2 1.58 Allowed 'General case' 0 N--CA 1.42 -1.929 0 CA-C-O 122.671 1.224 . . . . 1.85 110.999 177.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -173.54 -54.14 0.02 OUTLIER 'General case' 0 CA--C 1.488 -1.438 0 CA-C-N 113.252 -1.795 . . . . 2.31 106.508 175.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -95.97 -47.39 6.13 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 114.537 -1.21 . . . . 1.67 108.168 176.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.559 ' HG ' ' HB3' ' A' ' 30' ' ' LYS . 76.6 mt -77.7 156.29 30.76 Favored 'General case' 0 CA--C 1.494 -1.186 0 CA-C-N 115.562 -0.744 . . . . 1.23 110.287 -179.593 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -102.92 71.75 1.16 Allowed 'General case' 0 C--N 1.297 -1.694 0 CA-C-O 122.402 1.096 . . . . 2.15 109.315 -174.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 45.7 t -126.91 145.07 35.12 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.701 0 N-CA-C 105.409 -2.071 . . . . 2.86 105.409 175.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -59.65 -77.55 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 118.292 0.496 . . . . 2.96 110.37 -179.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 97.0 p -179.17 -72.83 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.329 0.652 . . . . 1.56 111.843 169.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.2 mp -58.64 -23.68 59.6 Favored 'General case' 0 N--CA 1.489 1.475 0 CA-C-O 121.993 0.902 . . . . 1.81 111.374 -179.142 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.0 m -63.75 -23.81 67.51 Favored 'General case' 0 C--N 1.295 -1.772 0 CA-C-N 115.273 -0.876 . . . . 1.5 111.75 178.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 11.2 tmm? -70.17 -21.97 63.0 Favored 'General case' 0 C--O 1.21 -1.004 0 N-CA-C 109.056 -0.72 . . . . 1.2 109.056 178.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.519 ' HA ' HG13 ' A' ' 47' ' ' VAL . 31.3 t -64.21 -23.68 33.95 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.833 0 CA-C-O 121.581 0.705 . . . . 1.3 110.428 178.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.3 mm-40 -79.0 -21.53 46.87 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 121.56 0.695 . . . . 2.06 109.459 175.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.595 HG23 HD11 ' A' ' 18' ' ' ILE . 91.6 t -77.74 -63.23 1.13 Allowed 'Isoleucine or valine' 0 C--O 1.213 -0.854 0 N-CA-C 108.139 -1.06 . . . . 2.03 108.139 177.249 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.519 HG13 ' HA ' ' A' ' 44' ' ' VAL . 13.8 p -50.82 -39.43 18.68 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.79 0 N-CA-C 114.127 1.158 . . . . 1.22 114.127 -174.724 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 14.5 p -66.53 -33.16 61.6 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.957 0 CA-C-O 121.52 0.676 . . . . 1.35 110.737 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -86.25 -16.25 38.24 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.6 -0.727 . . . . 1.09 109.736 178.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -81.37 -53.44 6.32 Favored 'General case' 0 CA--C 1.493 -1.235 0 CA-C-N 115.14 -0.936 . . . . 1.07 110.837 -179.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.451 ' OE1' ' HD2' ' A' ' 57' ' ' LYS . 17.2 pt-20 -55.33 -45.9 76.36 Favored 'General case' 0 C--N 1.315 -0.927 0 O-C-N 123.773 0.671 . . . . 0.8 111.144 -176.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -64.7 -38.9 92.55 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-O 120.776 0.322 . . . . 0.96 111.161 178.047 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.44 ' HA ' ' HE ' ' A' ' 53' ' ' ARG . 1.2 tpm_? -62.95 -41.68 99.58 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 123.483 0.713 . . . . 4.41 110.52 -178.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -90.56 9.58 28.91 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.899 -0.591 . . . . 0.49 112.354 -176.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 62.7 29.66 16.81 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 123.543 0.737 . . . . 1.95 111.148 178.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.528 HG21 ' H ' ' A' ' 57' ' ' LYS . 9.1 p -120.52 -179.95 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.581 0 N-CA-C 109.171 -0.677 . . . . 1.96 109.171 -176.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.528 ' H ' HG21 ' A' ' 56' ' ' VAL . 31.1 tptt -134.03 119.81 19.44 Favored 'General case' 0 N--CA 1.427 -1.586 0 N-CA-C 107.718 -1.216 . . . . 3.77 107.718 174.601 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 58.5 mt -114.4 104.05 54.74 Favored Pre-proline 0 C--N 1.299 -1.604 0 N-CA-C 109.68 -0.489 . . . . 1.24 109.68 -178.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.518 ' O ' HG23 ' A' ' 63' ' ' VAL . 25.7 Cg_exo -63.72 148.29 92.17 Favored 'Trans proline' 0 CA--C 1.537 0.63 0 C-N-CA 123.394 2.73 . . . . 0.79 112.295 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -57.2 -39.96 76.48 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 124.289 1.036 . . . . 2.3 113.654 -172.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -81.03 -30.97 34.77 Favored 'General case' 0 C--N 1.306 -1.325 0 CA-C-O 121.414 0.626 . . . . 2.38 110.31 -178.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -65.49 -29.95 70.66 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.675 -0.693 . . . . 1.52 110.474 176.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 59' ' ' PRO . 92.2 t -58.8 -50.11 80.51 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.555 0 N-CA-C 109.046 -0.724 . . . . 1.42 109.046 173.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 60.6 mttm -64.55 -16.5 62.71 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.716 0.806 . . . . 1.93 111.491 -175.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 17.2 m-80 -85.89 -17.13 36.38 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.708 -0.678 . . . . 2.65 112.397 -178.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.505 HD13 ' HA ' ' A' ' 72' ' ' ALA . 81.6 mt -89.26 173.63 8.29 Favored 'General case' 0 C--N 1.313 -0.997 0 C-N-CA 120.337 -0.545 . . . . 1.24 110.054 -177.778 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.482 ' HB2' ' HZ1' ' A' ' 67' ' ' LYS . 9.4 mtmp? -130.6 -72.84 0.55 Allowed 'General case' 0 C--N 1.311 -1.099 0 CA-C-O 121.019 0.438 . . . . 3.26 111.359 -178.425 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.627 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 45.3 p -97.21 -179.18 4.43 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 122.239 -0.288 . . . . 1.17 111.591 -176.14 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.523 HG13 ' CZ ' ' A' ' 32' ' ' PHE . 34.6 m -74.72 -17.52 16.45 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 N-CA-C 109.337 -0.616 . . . . 1.35 109.337 174.264 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -72.78 -27.42 69.09 Favored Glycine 0 N--CA 1.432 -1.633 0 N-CA-C 109.427 -1.469 . . . . 0.46 109.427 174.053 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.424 ' OD2' ' HB2' ' A' ' 67' ' ' LYS . 59.9 m-20 -83.69 -31.92 25.84 Favored 'General case' 0 C--N 1.311 -1.096 0 O-C-N 122.315 -0.52 . . . . 1.62 110.204 177.552 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.505 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -63.44 -52.47 61.36 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.352 -0.84 . . . . 1.21 109.365 178.17 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.523 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 16.5 p -54.09 -51.48 64.03 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-N 115.121 -0.945 . . . . 1.16 112.444 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.1 mtmm -56.69 -38.97 73.0 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 112.534 0.568 . . . . 4.01 112.534 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 56.6 t80 -70.04 -41.02 74.79 Favored 'General case' 0 C--O 1.242 0.681 0 CA-C-O 121.543 0.687 . . . . 1.09 109.961 -178.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.84 -59.13 4.76 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.049 0 CA-C-N 115.08 -0.963 . . . . 1.26 111.162 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' A' ' 73' ' ' THR . 3.3 pp -62.7 -22.96 66.89 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 112.993 0.738 . . . . 2.3 112.993 -177.598 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 21.1 t70 . . . . . 0 C--N 1.306 -1.297 0 CA-C-O 121.326 0.584 . . . . 1.32 109.861 177.054 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.473 -1.988 0 N-CA-C 108.343 -0.984 . . . . 1.46 108.343 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.576 ' O ' HG12 ' A' ' 7' ' ' ILE 0.285 7.4 p -95.18 176.82 6.08 Favored 'General case' 0 N--CA 1.403 -2.796 0 N-CA-C 113.518 0.933 . . . . 2.11 113.518 -177.056 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -55.9 -38.7 70.55 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 115.946 1.832 . . . . 2.34 115.946 -168.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -74.12 -33.33 63.54 Favored 'General case' 0 C--N 1.314 -0.935 0 N-CA-C 108.769 -0.826 . . . . 3.05 108.769 -178.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -72.18 -38.18 69.15 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.631 -0.713 . . . . 2.53 109.428 177.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.576 HG12 ' O ' ' A' ' 3' ' ' THR . 44.9 mm -60.46 -54.07 40.1 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.705 0 N-CA-C 109.099 -0.704 . . . . 1.16 109.099 177.721 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.58 HG23 HD13 ' A' ' 28' ' ' LEU . 86.6 t -57.26 -42.13 79.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 CA-C-N 116.4 -0.364 . . . . 1.22 111.18 179.392 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.39 -40.89 95.99 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.327 -0.397 . . . . 1.24 110.944 177.364 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.48 -38.31 90.68 Favored Glycine 0 C--O 1.216 -0.971 0 N-CA-C 110.881 -0.888 . . . . 0.38 110.881 178.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.573 HD13 ' HA ' ' A' ' 8' ' ' VAL . 94.4 mt -58.01 -43.74 86.86 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.356 0.598 . . . . 1.12 109.431 176.293 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.56 -25.91 67.64 Favored 'General case' 0 C--O 1.211 -0.952 0 CA-C-N 115.107 -0.951 . . . . 1.1 112.392 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -59.52 -48.74 80.5 Favored 'General case' 0 C--O 1.245 0.847 0 CA-C-O 121.565 0.697 . . . . 2.48 109.159 175.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.741 HD11 ' HG3' ' A' ' 53' ' ' ARG . 3.5 mp -74.38 -41.03 50.07 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.274 0 CA-C-N 115.334 -0.848 . . . . 1.14 109.771 179.517 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.544 HG11 HD11 ' A' ' 36' ' ' LEU . 53.6 t -63.78 -26.34 40.39 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.292 0 O-C-N 121.748 -0.595 . . . . 1.11 111.472 179.394 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -72.28 -31.27 65.6 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 121.253 0.549 . . . . 0.95 109.758 175.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -79.61 -35.91 38.81 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 115.457 -0.792 . . . . 2.11 110.39 -179.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 45.6 mm -82.99 -53.63 11.09 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.072 0 CA-C-N 115.645 -0.707 . . . . 1.33 111.473 -178.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -110.14 -45.15 3.63 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-O 120.706 0.289 . . . . 1.22 111.554 -175.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 102.6 87.17 1.99 Allowed Glycine 0 C--N 1.317 -0.522 0 C-N-CA 120.15 -1.024 . . . . 0.93 112.466 179.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.7 pp -136.79 154.77 76.62 Favored Pre-proline 0 C--N 1.303 -1.417 0 C-N-CA 123.031 0.532 . . . . 1.31 109.939 179.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -67.23 124.47 12.17 Favored 'Trans proline' 0 N--CA 1.446 -1.292 0 C-N-CA 121.921 1.747 . . . . 0.86 109.968 176.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 27.5 m -64.35 -8.6 4.97 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.03 0 N-CA-C 114.098 1.147 . . . . 2.05 114.098 -177.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.25 -17.42 19.84 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-O 121.115 0.483 . . . . 2.03 110.011 177.176 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -85.92 -28.86 24.05 Favored 'General case' 0 CA--C 1.497 -1.063 0 CA-C-O 121.621 0.724 . . . . 1.07 109.931 -172.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.905 ' HA ' ' HG3' ' A' ' 30' ' ' LYS . 48.6 t -77.66 89.33 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.361 0 N-CA-C 107.741 -1.207 . . . . 1.46 107.741 175.347 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -101.57 -178.29 3.68 Favored 'General case' 0 C--N 1.306 -1.31 0 CA-C-N 114.375 -1.284 . . . . 3.36 108.436 179.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.58 HD13 HG23 ' A' ' 8' ' ' VAL . 3.9 mm? -57.18 -26.37 60.51 Favored 'General case' 0 N--CA 1.482 1.127 0 N-CA-C 114.104 1.15 . . . . 1.64 114.104 -175.517 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -94.59 19.77 9.41 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 113.043 0.757 . . . . 2.47 113.043 -177.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.905 ' HG3' ' HA ' ' A' ' 26' ' ' VAL . 32.4 mmtm -89.4 167.67 12.83 Favored 'General case' 0 C--N 1.296 -1.718 0 CA-C-O 121.184 0.516 . . . . 1.67 110.289 175.008 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.539 ' OG ' ' HB2' ' A' ' 34' ' ' ASP . 12.6 p -146.25 168.43 21.08 Favored 'General case' 0 C--N 1.292 -1.918 0 N-CA-C 105.252 -2.129 . . . . 1.72 105.252 174.55 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.497 ' O ' ' HB2' ' A' ' 36' ' ' LEU . 94.5 m-85 -88.94 -38.92 14.12 Favored 'General case' 0 C--N 1.307 -1.28 0 CA-C-N 119.509 1.05 . . . . 1.03 112.557 -170.574 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.2 t -112.99 -7.69 13.7 Favored 'General case' 0 C--N 1.287 -2.115 0 C-N-CA 118.542 -1.263 . . . . 1.85 112.539 -177.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.539 ' HB2' ' OG ' ' A' ' 31' ' ' SER . 8.6 m-20 -95.95 -55.93 2.82 Favored 'General case' 0 C--N 1.29 -2.021 0 C-N-CA 119.485 -0.886 . . . . 2.31 109.056 -179.096 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -88.48 -37.61 15.65 Favored 'General case' 0 C--N 1.307 -1.24 0 CA-C-N 115.968 -0.56 . . . . 1.67 110.45 -179.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.544 HD11 HG11 ' A' ' 15' ' ' VAL . 78.0 mt -84.89 169.15 14.38 Favored 'General case' 0 CA--C 1.506 -0.728 0 C-N-CA 120.434 -0.506 . . . . 1.23 112.12 -177.258 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -92.77 17.3 10.64 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.43 -0.805 . . . . 2.15 110.696 -178.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.478 ' HB ' ' O ' ' A' ' 32' ' ' PHE . 59.4 t -82.05 123.2 37.89 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.43 0 N-CA-C 106.864 -1.532 . . . . 2.86 106.864 177.669 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -48.83 -69.32 0.12 Allowed 'General case' 0 CA--C 1.493 -1.223 0 O-C-N 124.173 0.921 . . . . 2.96 110.622 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 44.0 p 157.87 -51.05 0.0 OUTLIER 'General case' 0 C--O 1.217 -0.656 0 C-N-CA 127.143 2.177 . . . . 1.56 108.689 173.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.1 mp -59.62 -31.78 69.81 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-O 122.432 1.111 . . . . 1.81 108.638 178.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 36.9 t -68.02 -29.76 68.84 Favored 'General case' 0 CA--C 1.562 1.424 0 CA-C-N 113.979 -1.464 . . . . 1.5 112.214 176.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.428 ' O ' ' HG2' ' A' ' 43' ' ' MET . 27.4 ttp -68.46 -21.06 64.65 Favored 'General case' 0 N--CA 1.483 1.224 0 O-C-N 121.482 -0.761 . . . . 1.2 110.698 -176.591 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.495 ' HA ' HG11 ' A' ' 47' ' ' VAL . 36.5 t -58.53 -25.98 29.6 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.468 0 CA-C-N 115.959 -0.564 . . . . 1.3 111.404 -179.137 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -77.27 -28.03 53.32 Favored 'General case' 0 C--O 1.222 -0.342 0 CA-C-O 121.456 0.646 . . . . 2.06 110.248 175.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.581 ' HA ' HG23 ' A' ' 14' ' ' ILE . 57.8 t -73.66 -56.69 8.61 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.068 0 CA-C-N 115.4 -0.818 . . . . 2.03 109.444 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.495 HG11 ' HA ' ' A' ' 44' ' ' VAL . 12.3 p -56.87 -38.01 56.95 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.953 0 N-CA-C 112.743 0.646 . . . . 1.22 112.743 -176.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 9.5 p -69.93 -30.93 46.16 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 CA-C-O 121.142 0.496 . . . . 1.35 110.646 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.478 ' O ' ' HG2' ' A' ' 53' ' ' ARG . . . -79.56 -29.95 41.53 Favored 'General case' 0 C--O 1.212 -0.904 0 CA-C-O 121.41 0.624 . . . . 1.09 109.692 177.764 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.78 -35.11 79.53 Favored 'General case' 0 C--N 1.309 -1.177 0 O-C-N 122.113 -0.367 . . . . 1.07 111.424 179.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -55.66 -47.3 76.93 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-O 120.942 0.401 . . . . 0.8 111.088 178.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -75.54 -37.3 60.13 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 116.3 -0.409 . . . . 0.96 112.036 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.741 ' HG3' HD11 ' A' ' 14' ' ' ILE . 10.3 mmm180 -64.12 -44.54 91.92 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 112.759 0.652 . . . . 4.41 112.759 -176.722 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -99.76 6.75 45.43 Favored 'General case' 0 C--N 1.31 -1.144 0 N-CA-C 112.337 0.495 . . . . 0.49 112.337 -174.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 32.6 t70 57.28 63.81 1.78 Allowed 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 122.444 1.116 . . . . 1.95 109.768 -178.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.739 HG23 ' H ' ' A' ' 57' ' ' LYS . 9.3 p -145.64 -170.43 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.426 -1.632 0 CA-C-N 115.169 -0.923 . . . . 1.96 108.797 -175.704 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.739 ' H ' HG23 ' A' ' 56' ' ' VAL . 65.5 tttp -151.87 129.08 11.18 Favored 'General case' 0 C--N 1.297 -1.7 0 N-CA-C 105.794 -1.928 . . . . 3.77 105.794 179.041 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 59.2 mt -131.1 115.22 16.42 Favored Pre-proline 0 C--N 1.294 -1.816 0 N-CA-C 108.854 -0.795 . . . . 1.24 108.854 -175.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.541 ' HD3' ' OH ' ' A' ' 75' ' ' TYR . 7.5 Cg_exo -72.82 136.73 25.82 Favored 'Trans proline' 0 N--CA 1.445 -1.342 0 C-N-CA 122.326 2.017 . . . . 0.79 110.469 178.465 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -56.33 -28.74 59.92 Favored 'General case' 0 N--CA 1.482 1.173 0 CA-C-O 121.701 0.763 . . . . 2.3 110.745 178.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -59.51 -48.08 83.03 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.238 -0.892 . . . . 2.38 110.135 174.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -80.61 -20.08 44.03 Favored 'General case' 0 C--O 1.215 -0.741 0 CA-C-N 115.331 -0.85 . . . . 1.52 110.942 -173.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.42 HG21 ' O ' ' A' ' 59' ' ' PRO . 84.4 t -56.84 -43.29 79.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 N-CA-C 109.168 -0.678 . . . . 1.42 109.168 174.105 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 36.7 mtmm -75.36 -9.12 58.28 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.81 -0.632 . . . . 1.93 112.002 179.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -91.72 -29.21 16.95 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 109.482 -0.562 . . . . 2.65 109.482 178.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 91.5 mt -77.54 170.32 16.77 Favored 'General case' 0 C--O 1.24 0.605 0 CA-C-N 116.19 -0.459 . . . . 1.24 110.147 -179.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.0 pttp -139.72 -80.46 0.29 Allowed 'General case' 0 C--N 1.31 -1.14 0 N-CA-C 114.836 1.421 . . . . 3.26 114.836 -176.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.455 HG21 ' HB3' ' A' ' 31' ' ' SER . 69.1 p -90.75 -178.67 5.32 Favored 'General case' 0 C--N 1.306 -1.313 0 O-C-N 121.724 -0.61 . . . . 1.17 110.238 -176.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 34.2 m -81.09 -15.18 12.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 C-N-CA 120.202 -0.599 . . . . 1.35 109.598 176.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -85.76 -20.19 56.49 Favored Glycine 0 N--CA 1.444 -0.793 0 N-CA-C 109.604 -1.398 . . . . 0.46 109.604 176.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -83.51 -47.01 11.8 Favored 'General case' 0 C--N 1.306 -1.321 0 CA-C-N 114.795 -0.703 . . . . 1.62 109.356 175.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.12 -39.66 87.02 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.148 -0.933 . . . . 1.21 111.319 -178.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -55.72 -44.09 77.18 Favored 'General case' 0 C--O 1.216 -0.686 0 C-N-CA 122.713 0.405 . . . . 1.16 111.945 179.021 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -55.66 -37.0 67.68 Favored 'General case' 0 N--CA 1.451 -0.409 0 O-C-N 123.854 0.721 . . . . 4.01 111.044 -179.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.541 ' OH ' ' HD3' ' A' ' 59' ' ' PRO . 49.4 t80 -80.02 -50.78 9.89 Favored 'General case' 0 N--CA 1.446 -0.636 0 C-N-CA 120.704 -0.398 . . . . 1.09 111.19 177.432 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 90.7 mt -55.87 -57.57 7.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 C-N-CA 122.78 0.432 . . . . 1.26 110.75 -178.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 61.0 tp -57.98 -29.02 64.89 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 123.944 0.898 . . . . 2.3 112.045 -178.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 27.2 t70 . . . . . 0 C--N 1.311 -1.078 0 C-N-CA 119.807 -0.757 . . . . 1.32 111.784 -177.063 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.581 0 N-CA-C 108.365 -0.976 . . . . 1.46 108.365 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.579 ' O ' HG12 ' A' ' 7' ' ' ILE . 3.6 m -119.64 177.71 4.84 Favored 'General case' 0 C--N 1.304 -1.373 0 CA-C-O 117.945 -1.026 . . . . 2.11 108.762 178.753 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -42.98 -56.49 3.28 Favored 'General case' 0 N--CA 1.485 1.287 0 N-CA-C 114.61 1.337 . . . . 2.34 114.61 -172.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -74.41 -30.22 61.84 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 109.668 -0.493 . . . . 3.05 109.668 -175.056 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.468 ' HB2' ' H ' ' A' ' 3' ' ' THR . 21.2 mm-40 -71.19 -33.06 69.6 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.718 -0.674 . . . . 2.53 109.324 178.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.579 HG12 ' O ' ' A' ' 3' ' ' THR . 41.3 mm -61.49 -54.53 33.71 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.915 0 N-CA-C 107.541 -1.281 . . . . 1.16 107.541 174.637 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 91.5 t -51.52 -53.86 14.49 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 CA-C-N 115.488 -0.778 . . . . 1.22 110.275 177.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.48 -38.48 80.93 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.78 -0.645 . . . . 1.24 111.852 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -68.67 -33.64 76.54 Favored Glycine 0 C--O 1.214 -1.154 0 N-CA-C 111.007 -0.837 . . . . 0.38 111.007 179.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.465 ' O ' HG23 ' A' ' 15' ' ' VAL . 90.4 mt -67.59 -55.07 14.83 Favored 'General case' 0 C--N 1.306 -1.287 0 N-CA-C 109.055 -0.72 . . . . 1.12 109.055 175.344 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.82 -30.57 69.03 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.841 -1.072 . . . . 1.1 113.752 -175.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.574 ' HG3' HD11 ' A' ' 14' ' ' ILE . 12.2 pt-20 -66.07 -41.2 91.04 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.196 -0.602 . . . . 2.48 111.03 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.662 ' HB ' HG21 ' A' ' 46' ' ' VAL . 4.7 mp -77.86 -32.04 17.46 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.082 0 C-N-CA 118.906 -1.118 . . . . 1.14 109.312 176.103 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 11' ' ' LEU . 75.7 t -62.76 -30.09 48.58 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.397 0 CA-C-O 121.752 0.787 . . . . 1.11 110.448 177.1 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -68.89 -28.67 66.89 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 115.597 -0.729 . . . . 0.95 110.341 175.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -82.24 -42.86 18.36 Favored 'General case' 0 C--N 1.309 -1.177 0 CA-C-N 116.239 -0.437 . . . . 2.11 109.846 178.034 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.666 HG13 ' HB ' ' A' ' 46' ' ' VAL . 48.3 mm -62.8 -53.06 51.75 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 CA-C-N 115.908 -0.587 . . . . 1.33 110.706 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -118.04 -58.4 2.01 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-O 120.888 0.375 . . . . 1.22 110.633 -178.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 120.12 65.0 0.27 Allowed Glycine 0 N--CA 1.438 -1.169 0 C-N-CA 119.77 -1.205 . . . . 0.93 112.847 -179.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.418 HG13 HG13 ' A' ' 15' ' ' VAL . 1.9 pp -102.87 156.79 34.86 Favored Pre-proline 0 C--N 1.307 -1.245 0 N-CA-C 109.75 -0.463 . . . . 1.31 109.75 174.296 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.642 ' HB2' ' HB2' ' A' ' 25' ' ' ASP . 24.2 Cg_exo -64.93 128.48 20.88 Favored 'Trans proline' 0 N--CA 1.443 -1.452 0 C-N-CA 121.473 1.448 . . . . 0.86 108.975 174.673 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 12.2 p -74.42 -9.22 12.69 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.062 0 CA-C-O 122.206 1.003 . . . . 2.05 110.369 -175.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -92.51 -18.42 23.19 Favored 'General case' 0 C--N 1.305 -1.329 0 CA-C-N 114.554 -1.203 . . . . 2.03 109.958 177.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.642 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 24.8 t70 -84.7 -23.82 29.21 Favored 'General case' 0 CA--C 1.505 -0.771 0 CA-C-N 115.822 -0.626 . . . . 1.07 111.38 -170.476 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.828 ' HA ' ' HG3' ' A' ' 30' ' ' LYS . 38.9 t -78.52 87.13 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.299 -1.6 0 CA-C-O 121.803 0.811 . . . . 1.46 110.716 -176.61 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 47.8 mtmt -94.37 177.92 5.79 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 107.625 -1.25 . . . . 3.36 107.625 173.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.46 ' HA ' HG21 ' A' ' 69' ' ' VAL . 3.6 mm? -65.49 -15.35 62.57 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 113.165 0.802 . . . . 1.64 113.165 -174.182 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -85.29 0.49 51.81 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 111.835 0.309 . . . . 2.47 111.835 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.828 ' HG3' ' HA ' ' A' ' 26' ' ' VAL . 74.7 mmtt -84.81 128.15 34.47 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-N 116.326 -0.397 . . . . 1.67 111.836 -179.144 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.64 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 1.8 p -112.27 154.33 25.8 Favored 'General case' 0 C--N 1.288 -2.09 0 N-CA-C 107.04 -1.467 . . . . 1.72 107.04 173.192 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.602 ' HA ' HD11 ' A' ' 36' ' ' LEU . 77.2 m-85 -74.35 -53.48 9.57 Favored 'General case' 0 CA--C 1.479 -1.758 0 N-CA-C 112.645 0.609 . . . . 1.03 112.645 -161.766 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.513 HG23 ' HB3' ' A' ' 40' ' ' SER . 6.1 p -118.42 30.52 7.17 Favored 'General case' 0 N--CA 1.402 -2.87 0 C-N-CA 118.913 -1.115 . . . . 1.85 110.942 176.305 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.521 ' HB2' ' OG ' ' A' ' 31' ' ' SER . 16.4 m-20 -118.82 -36.64 3.4 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 114.911 -1.04 . . . . 2.31 108.874 176.003 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -123.09 -25.04 4.59 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 120.383 -0.527 . . . . 1.67 111.733 -179.056 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.602 HD11 ' HA ' ' A' ' 32' ' ' PHE . 89.9 mt -84.16 -175.79 5.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.037 0.446 . . . . 1.23 111.951 -177.14 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -129.89 77.84 1.81 Allowed 'General case' 0 CA--C 1.483 -1.603 0 CA-C-N 115.683 -0.69 . . . . 2.15 109.46 -177.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.2 m -134.95 175.76 10.3 Favored 'Isoleucine or valine' 0 N--CA 1.414 -2.229 0 CA-C-N 114.926 -1.034 . . . . 2.86 110.621 178.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.45 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 11.5 t70 -94.13 132.76 38.33 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 105.711 -1.959 . . . . 2.96 105.711 170.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.513 ' HB3' HG23 ' A' ' 33' ' ' THR . 66.6 p -65.19 -52.59 53.94 Favored 'General case' 0 C--N 1.293 -1.851 0 N-CA-C 112.133 0.42 . . . . 1.56 112.133 -174.323 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.0 mp -61.05 -27.4 68.31 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.547 0.689 . . . . 1.81 110.439 -178.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.45 ' HB2' ' HB3' ' A' ' 39' ' ' ASP . 25.2 m -79.8 -13.39 59.46 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 115.897 -0.592 . . . . 1.5 112.363 176.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.418 ' HA ' HG12 ' A' ' 46' ' ' VAL . 36.6 ttp -68.93 -24.79 64.32 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 107.782 -1.192 . . . . 1.2 107.782 174.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.473 ' HA ' HG11 ' A' ' 47' ' ' VAL . 47.3 t -66.43 -23.53 31.72 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.235 0 CA-C-N 114.663 -1.153 . . . . 1.3 109.579 178.141 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -78.9 -35.45 43.56 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 115.466 -0.788 . . . . 2.06 110.113 178.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.666 ' HB ' HG13 ' A' ' 18' ' ' ILE . 7.6 p -78.13 -41.2 26.67 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.438 0 O-C-N 121.872 -0.517 . . . . 2.03 111.496 178.744 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.484 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 7.5 p -61.27 -39.43 82.58 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 C-N-CA 120.819 -0.352 . . . . 1.22 111.594 -178.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.407 ' HA ' ' OE2' ' A' ' 51' ' ' GLU . 12.7 p -67.72 -25.55 33.03 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.823 0 CA-C-O 121.397 0.618 . . . . 1.35 110.824 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.525 ' O ' ' HG2' ' A' ' 53' ' ' ARG . . . -86.17 -26.19 25.29 Favored 'General case' 0 C--O 1.217 -0.618 0 CA-C-O 121.405 0.621 . . . . 1.09 109.766 177.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.22 -34.1 70.5 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-N 116.086 -0.506 . . . . 1.07 110.531 179.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.489 ' HA ' HG23 ' A' ' 56' ' ' VAL . 42.3 mt-10 -55.61 -45.75 77.43 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 115.853 -0.612 . . . . 0.8 110.882 178.496 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -76.64 -18.88 58.34 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 116.004 -0.544 . . . . 0.96 111.909 -178.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.525 ' HG2' ' O ' ' A' ' 49' ' ' ALA . 80.3 mmt-85 -80.29 -51.61 8.69 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.806 0.336 . . . . 4.41 110.614 179.165 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.422 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 46.9 m-85 -89.25 7.93 32.94 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 113.102 0.779 . . . . 0.49 113.102 -172.736 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 65.11 30.09 11.72 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 121.325 0.583 . . . . 1.95 111.383 178.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.489 HG23 ' HA ' ' A' ' 51' ' ' GLU . 17.3 m -114.64 -173.0 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.286 -0.87 . . . . 1.96 111.774 -178.418 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -148.66 129.26 14.04 Favored 'General case' 0 N--CA 1.421 -1.922 0 N-CA-C 105.52 -2.03 . . . . 3.77 105.52 171.013 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 45.9 mt -123.43 103.3 35.4 Favored Pre-proline 0 C--N 1.288 -2.1 0 N-CA-C 109.169 -0.678 . . . . 1.24 109.169 -175.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -63.92 138.42 62.81 Favored 'Trans proline' 0 N--CA 1.452 -0.92 0 C-N-CA 122.749 2.3 . . . . 0.79 111.007 178.184 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.475 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 6.2 m-20 -53.98 -36.36 62.82 Favored 'General case' 0 C--N 1.317 -0.845 0 C-N-CA 124.174 0.989 . . . . 2.3 113.196 -175.037 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -70.77 -32.57 69.75 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.565 -0.454 . . . . 2.38 111.299 -179.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -70.49 -35.63 73.36 Favored 'General case' 0 CA--C 1.505 -0.783 0 N-CA-C 109.607 -0.516 . . . . 1.52 109.607 177.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 94.5 t -56.76 -54.11 33.45 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.587 0 CA-C-N 115.098 -0.955 . . . . 1.42 109.109 176.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.475 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 66.5 mttm -61.07 -19.31 61.27 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.858 0.863 . . . . 1.93 111.694 -174.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -88.63 -12.67 41.89 Favored 'General case' 0 C--N 1.308 -1.237 0 CA-C-N 115.747 -0.66 . . . . 2.65 112.778 -178.296 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.423 HD23 ' HB3' ' A' ' 71' ' ' ASP . 87.7 mt -90.68 178.21 6.13 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 120.447 -0.501 . . . . 1.24 111.433 -177.384 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.47 ' HB2' ' OD1' ' A' ' 71' ' ' ASP . 9.9 mtmp? -130.36 -73.39 0.55 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.388 0.613 . . . . 3.26 111.745 -175.487 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.64 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 77.2 p -102.25 -172.44 2.14 Favored 'General case' 0 N--CA 1.434 -1.272 0 CA-C-O 121.238 0.542 . . . . 1.17 110.842 -175.665 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.464 HG11 ' CZ ' ' A' ' 32' ' ' PHE . 35.5 m -77.89 -13.51 14.0 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.33 0 N-CA-C 108.772 -0.825 . . . . 1.35 108.772 171.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.452 ' O ' ' HG2' ' A' ' 74' ' ' LYS . . . -73.18 -41.69 46.03 Favored Glycine 0 N--CA 1.435 -1.385 0 N-CA-C 108.504 -1.838 . . . . 0.46 108.504 174.448 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.47 ' OD1' ' HB2' ' A' ' 67' ' ' LYS . 5.1 m-20 -66.18 -40.58 90.57 Favored 'General case' 0 CA--C 1.508 -0.664 0 CA-C-O 121.578 0.704 . . . . 1.62 109.249 175.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.409 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -63.84 -48.96 74.68 Favored 'General case' 0 N--CA 1.437 -1.079 0 CA-C-N 114.851 -1.068 . . . . 1.21 109.849 -177.193 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.599 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 8.7 p -58.01 -50.52 73.15 Favored 'General case' 0 N--CA 1.427 -1.589 0 CA-C-O 118.827 -0.606 . . . . 1.16 112.444 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.452 ' HG2' ' O ' ' A' ' 70' ' ' GLY . 46.7 mmtm -49.55 -45.98 48.25 Favored 'General case' 0 N--CA 1.478 0.97 0 O-C-N 123.874 0.734 . . . . 4.01 111.241 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -70.01 -56.73 6.22 Favored 'General case' 0 C--O 1.243 0.751 0 CA-C-N 115.726 -0.67 . . . . 1.09 111.234 179.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 99.1 mt -57.99 -56.16 17.54 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.708 0 CA-C-N 115.798 -0.637 . . . . 1.26 112.041 -174.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.599 ' HG ' ' O ' ' A' ' 73' ' ' THR . 3.9 pp -60.1 -22.2 62.48 Favored 'General case' 0 CA--C 1.519 -0.224 0 N-CA-C 112.569 0.581 . . . . 2.3 112.569 -174.179 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 13.7 t70 . . . . . 0 C--N 1.32 -0.691 0 CA-C-O 121.449 0.643 . . . . 1.32 110.503 -179.662 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.243 0.718 0 N-CA-C 109.426 -0.583 . . . . 1.46 109.426 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.55 ' O ' HG12 ' A' ' 7' ' ' ILE . 0.9 OUTLIER -94.61 177.48 5.91 Favored 'General case' 0 C--O 1.205 -1.247 0 CA-C-O 118.761 -0.638 . . . . 2.11 110.623 -176.424 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.47 ' HG2' ' HB ' ' A' ' 73' ' ' THR . 49.5 mt-30 -45.25 -56.31 4.97 Favored 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 115.459 1.652 . . . . 2.34 115.459 -171.273 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -65.61 -38.73 90.3 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-O 121.391 0.615 . . . . 3.05 110.092 -176.219 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -70.2 -34.81 73.4 Favored 'General case' 0 C--N 1.306 -1.288 0 CA-C-N 114.818 -1.083 . . . . 2.53 109.319 -179.148 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.55 HG12 ' O ' ' A' ' 3' ' ' THR . 36.4 mm -64.09 -53.26 45.88 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.947 0 N-CA-C 108.366 -0.976 . . . . 1.16 108.366 175.426 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.509 ' HA ' HD11 ' A' ' 11' ' ' LEU . 78.0 t -53.03 -47.89 53.41 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 123.576 0.75 . . . . 1.22 110.768 178.765 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.45 -39.75 73.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.886 -0.597 . . . . 1.24 110.683 177.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.423 ' C ' ' HZ ' ' A' ' 54' ' ' PHE . . . -70.98 -43.73 56.95 Favored Glycine 0 C--O 1.214 -1.116 0 N-CA-C 110.767 -0.933 . . . . 0.38 110.767 178.119 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.513 ' O ' HG22 ' A' ' 15' ' ' VAL . 94.9 mt -52.8 -48.28 67.01 Favored 'General case' 0 CA--C 1.5 -0.968 0 C-N-CA 123.935 0.894 . . . . 1.12 110.859 -179.503 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.68 -36.26 73.92 Favored 'General case' 0 C--O 1.214 -0.805 0 CA-C-N 115.381 -0.827 . . . . 1.1 111.851 -178.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -58.92 -34.27 71.51 Favored 'General case' 0 CA--C 1.517 -0.326 0 O-C-N 123.507 0.504 . . . . 2.48 110.68 -179.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.64 ' HB ' HG21 ' A' ' 46' ' ' VAL . 4.5 mp -84.83 -38.96 13.81 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.376 0 C-N-CA 119.426 -0.91 . . . . 1.14 109.238 176.3 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.513 HG22 ' O ' ' A' ' 11' ' ' LEU . 20.4 t -60.06 -23.89 28.49 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.203 0 O-C-N 121.928 -0.483 . . . . 1.11 111.023 179.376 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 20.7 m120 -63.17 -49.05 75.83 Favored 'General case' 0 CA--C 1.503 -0.85 0 O-C-N 121.879 -0.513 . . . . 0.95 111.361 174.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -78.11 -24.04 47.66 Favored 'General case' 0 C--N 1.304 -1.401 0 C-N-CA 120.344 -0.542 . . . . 2.11 111.73 -176.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.689 HG13 ' HB ' ' A' ' 46' ' ' VAL . 48.1 mm -80.61 -53.0 13.5 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 CA-C-N 116.336 -0.393 . . . . 1.33 110.153 179.224 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -117.18 -57.07 2.19 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-O 120.978 0.418 . . . . 1.22 111.146 -177.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 112.39 95.15 2.21 Favored Glycine 0 C--N 1.305 -1.184 0 N-CA-C 110.496 -1.042 . . . . 0.93 110.496 -176.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.7 pp -133.71 161.93 60.74 Favored Pre-proline 0 C--N 1.3 -1.565 0 N-CA-C 111.916 0.339 . . . . 1.31 111.916 -177.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -77.33 130.05 10.73 Favored 'Trans proline' 0 N--CA 1.437 -1.795 0 N-CA-C 108.07 -1.55 . . . . 0.86 108.07 170.095 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 27.5 m -68.83 -25.15 29.67 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.189 0 N-CA-C 111.969 0.359 . . . . 2.05 111.969 -176.257 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -83.07 -9.04 59.45 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-O 121.579 0.704 . . . . 2.03 110.273 177.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.706 ' O ' ' HE3' ' A' ' 30' ' ' LYS . 17.7 t70 -83.16 -37.23 23.98 Favored 'General case' 0 N--CA 1.432 -1.353 0 N-CA-C 108.113 -1.069 . . . . 1.07 108.113 178.675 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.407 HG13 HG12 ' A' ' 8' ' ' VAL . 33.1 t -72.75 86.64 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-O 121.801 0.81 . . . . 1.46 109.791 179.763 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.532 ' H ' ' HG3' ' A' ' 30' ' ' LYS . 59.2 mttp -97.1 -164.4 1.14 Allowed 'General case' 0 C--N 1.307 -1.273 0 CA-C-N 114.093 -1.412 . . . . 3.36 108.666 178.265 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -79.25 -33.25 43.74 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 113.582 0.956 . . . . 1.64 113.582 -177.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -97.63 71.28 2.26 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-O 122.523 1.154 . . . . 2.47 108.688 177.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.706 ' HE3' ' O ' ' A' ' 25' ' ' ASP . 62.3 mmtt -138.34 141.46 39.73 Favored 'General case' 0 C--N 1.305 -1.328 0 CA-C-N 113.279 -1.782 . . . . 1.67 110.073 -179.513 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.493 ' HB3' ' HB3' ' A' ' 34' ' ' ASP . 15.5 t -129.67 150.57 50.93 Favored 'General case' 0 C--N 1.28 -2.445 0 N-CA-C 107.329 -1.36 . . . . 1.72 107.329 175.323 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.607 ' HA ' HD11 ' A' ' 36' ' ' LEU . 85.6 m-85 -69.53 -42.96 73.95 Favored 'General case' 0 CA--C 1.493 -1.219 0 CA-C-O 121.267 0.556 . . . . 1.03 111.563 -166.394 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.501 ' HA ' HG21 ' A' ' 38' ' ' VAL . 34.7 p -110.91 28.82 8.34 Favored 'General case' 0 N--CA 1.405 -2.699 0 C-N-CA 119.594 -0.842 . . . . 1.85 111.787 -178.502 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.493 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 11.3 t70 -133.93 -43.28 0.81 Allowed 'General case' 0 C--N 1.29 -1.986 0 CA-C-N 115.398 -0.819 . . . . 2.31 110.392 178.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.4 ' HB3' ' HD3' ' A' ' 30' ' ' LYS . 1.2 t0 -119.87 0.13 10.78 Favored 'General case' 0 C--N 1.311 -1.096 0 C-N-CA 119.919 -0.712 . . . . 1.67 111.164 -175.52 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.607 HD11 ' HA ' ' A' ' 32' ' ' PHE . 35.4 mt -111.36 -163.75 0.87 Allowed 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.088 -0.645 . . . . 1.23 110.913 -176.397 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -64.01 -23.66 67.42 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.239 0.616 . . . . 2.15 110.267 179.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.501 HG21 ' HA ' ' A' ' 33' ' ' THR . 88.4 t 76.08 84.46 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.437 -1.1 0 C-N-CA 125.32 1.448 . . . . 2.86 112.298 179.034 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.847 ' HB2' ' HB3' ' A' ' 42' ' ' SER . 12.4 p-10 -108.38 102.5 11.6 Favored 'General case' 0 C--N 1.272 -2.797 0 N-CA-C 106.465 -1.68 . . . . 2.96 106.465 167.006 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 81.6 p -81.55 -53.17 6.49 Favored 'General case' 0 C--N 1.286 -2.163 0 CA-C-N 115.346 -0.843 . . . . 1.56 112.103 -169.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.474 ' HA ' HD12 ' A' ' 41' ' ' LEU . 9.0 tp -88.79 -34.92 16.91 Favored 'General case' 0 N--CA 1.396 -3.15 0 CA-C-O 121.98 0.895 . . . . 1.81 109.734 179.729 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.847 ' HB3' ' HB2' ' A' ' 39' ' ' ASP . 28.1 t -63.1 -24.17 67.78 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-N 114.379 -1.282 . . . . 1.5 111.325 -178.207 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.507 ' HB2' ' O ' ' A' ' 39' ' ' ASP . 22.7 ttp -61.24 -22.15 64.54 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 120.911 0.386 . . . . 1.2 111.836 -178.36 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.506 ' HA ' HG11 ' A' ' 47' ' ' VAL . 60.5 t -56.89 -32.7 39.81 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 CA-C-O 121.369 0.604 . . . . 1.3 109.991 178.304 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -72.35 -37.11 68.9 Favored 'General case' 0 N--CA 1.432 -1.325 0 CA-C-N 115.889 -0.596 . . . . 2.06 111.749 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.689 ' HB ' HG13 ' A' ' 18' ' ' ILE . 7.5 p -77.56 -32.12 18.12 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.613 0 C-N-CA 119.792 -0.763 . . . . 2.03 111.209 178.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.506 HG11 ' HA ' ' A' ' 44' ' ' VAL . 14.1 p -70.94 -38.67 73.27 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 C-N-CA 119.329 -0.949 . . . . 1.22 111.098 178.572 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 9.1 p -70.43 -30.68 43.91 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.615 0 CA-C-O 121.426 0.632 . . . . 1.35 109.554 177.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.504 ' O ' ' HG2' ' A' ' 53' ' ' ARG . . . -74.01 -30.2 62.34 Favored 'General case' 0 C--O 1.211 -0.963 0 CA-C-N 116.034 -0.53 . . . . 1.09 110.227 177.517 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.33 -35.85 80.36 Favored 'General case' 0 C--N 1.31 -1.152 0 CA-C-O 120.745 0.307 . . . . 1.07 110.574 179.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.497 ' OE1' ' HG3' ' A' ' 57' ' ' LYS . 32.2 mt-10 -56.19 -56.06 25.5 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.303 0.573 . . . . 0.8 110.468 177.277 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -70.99 -25.7 62.82 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.186 -0.915 . . . . 0.96 112.626 -175.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.504 ' HG2' ' O ' ' A' ' 49' ' ' ALA . 25.4 mmt180 -88.25 -28.61 21.0 Favored 'General case' 0 C--N 1.318 -0.766 0 C-N-CA 120.554 -0.458 . . . . 4.41 112.132 -177.324 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.423 ' HZ ' ' C ' ' A' ' 10' ' ' GLY . 78.4 m-85 -111.41 11.5 21.49 Favored 'General case' 0 C--O 1.242 0.663 0 N-CA-C 113.397 0.888 . . . . 0.49 113.397 -175.128 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 66.53 30.23 8.63 Favored 'General case' 0 N--CA 1.496 1.842 0 C-N-CA 123.321 0.649 . . . . 1.95 110.451 178.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.673 HG23 ' H ' ' A' ' 57' ' ' LYS . 9.1 p -123.48 -175.01 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.299 -1.603 0 C-N-CA 120.419 -0.512 . . . . 1.96 110.164 -173.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.673 ' H ' HG23 ' A' ' 56' ' ' VAL . 13.9 ttmm -151.47 134.39 15.76 Favored 'General case' 0 N--CA 1.422 -1.843 0 N-CA-C 107.442 -1.318 . . . . 3.77 107.442 175.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 53.7 mt -133.63 113.59 13.02 Favored Pre-proline 0 C--N 1.31 -1.129 0 N-CA-C 109.381 -0.6 . . . . 1.24 109.381 -176.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.542 ' O ' HG22 ' A' ' 63' ' ' VAL . 39.0 Cg_exo -61.9 143.26 95.42 Favored 'Trans proline' 0 C--O 1.234 0.3 0 C-N-CA 123.303 2.669 . . . . 0.79 111.181 176.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -56.05 -38.49 70.68 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 124.009 0.924 . . . . 2.3 112.483 -175.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -76.08 -25.67 55.74 Favored 'General case' 0 C--N 1.315 -0.905 0 C-N-CA 120.517 -0.473 . . . . 2.38 111.999 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.452 ' HA ' ' HB3' ' A' ' 65' ' ' ASN . 2.2 t70 -79.25 -27.76 42.38 Favored 'General case' 0 C--O 1.219 -0.54 0 N-CA-C 108.607 -0.886 . . . . 1.52 108.607 -178.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.542 HG22 ' O ' ' A' ' 59' ' ' PRO . 58.8 t -57.34 -57.59 9.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 N-CA-C 108.266 -1.013 . . . . 1.42 108.266 174.235 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -64.24 -17.1 63.26 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 115.198 -0.91 . . . . 1.93 110.933 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.452 ' HB3' ' HA ' ' A' ' 62' ' ' ASP . 2.3 t30 -76.72 -30.43 56.63 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 115.481 -0.781 . . . . 2.65 111.098 177.036 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.522 HD11 ' HA ' ' A' ' 72' ' ' ALA . 90.0 mt -82.77 -177.81 6.87 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.522 -0.547 . . . . 1.24 109.522 -178.547 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.542 ' HG3' ' OD2' ' A' ' 71' ' ' ASP . 19.2 pttp -143.45 -60.61 0.41 Allowed 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 113.023 0.749 . . . . 3.26 113.023 178.735 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.41 HG22 ' HB2' ' A' ' 31' ' ' SER . 48.5 p -101.63 -177.83 3.54 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 119.758 -0.777 . . . . 1.17 110.806 -178.617 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 28.7 m -77.78 -15.9 14.18 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.025 0 N-CA-C 109.029 -0.73 . . . . 1.35 109.029 173.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -74.82 -37.43 44.7 Favored Glycine 0 N--CA 1.432 -1.617 0 N-CA-C 109.602 -1.399 . . . . 0.46 109.602 177.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.542 ' OD2' ' HG3' ' A' ' 67' ' ' LYS . 20.5 m-20 -74.73 -34.41 62.56 Favored 'General case' 0 CA--C 1.507 -0.706 0 N-CA-C 108.832 -0.803 . . . . 1.62 108.832 177.715 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.522 ' HA ' HD11 ' A' ' 66' ' ' LEU . . . -66.58 -51.55 55.23 Favored 'General case' 0 N--CA 1.436 -1.166 0 CA-C-N 114.62 -1.173 . . . . 1.21 110.504 -177.118 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.551 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 19.6 p -56.45 -40.17 74.35 Favored 'General case' 0 N--CA 1.439 -1.024 0 O-C-N 123.671 0.607 . . . . 1.16 112.52 -178.345 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -59.02 -49.66 77.04 Favored 'General case' 0 CA--C 1.514 -0.425 0 O-C-N 123.606 0.566 . . . . 4.01 110.649 178.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -65.87 -41.5 91.54 Favored 'General case' 0 C--O 1.244 0.808 0 CA-C-O 121.223 0.535 . . . . 1.09 110.829 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.599 ' HA ' HG21 ' A' ' 56' ' ' VAL . 92.2 mt -59.69 -57.12 13.03 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.953 0 CA-C-N 115.673 -0.694 . . . . 1.26 111.078 179.522 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' A' ' 73' ' ' THR . 3.8 pp -64.38 -21.82 66.75 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.363 0.601 . . . . 2.3 112.462 -179.158 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 33.9 t70 . . . . . 0 C--N 1.312 -1.024 0 CA-C-N 115.122 -0.944 . . . . 1.32 110.556 178.883 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . 0.477 ' HB3' ' HB2' ' A' ' 6' ' ' GLU . . . . . . . . 0 N--CA 1.443 -0.81 0 N-CA-C 108.785 -0.82 . . . . 1.46 108.785 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.561 ' O ' HG12 ' A' ' 7' ' ' ILE . 14.6 t -89.09 176.12 7.11 Favored 'General case' 0 C--O 1.194 -1.863 0 C-N-CA 119.456 -0.898 . . . . 2.11 111.668 -177.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -57.76 -29.56 64.9 Favored 'General case' 0 CA--C 1.498 -1.037 0 O-C-N 123.934 0.771 . . . . 2.34 110.037 -178.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -69.38 -42.34 75.28 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-O 121.532 0.682 . . . . 3.05 110.687 -179.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.477 ' HB2' ' HB3' ' A' ' 2' ' ' ALA . 38.0 mt-10 -83.04 -24.66 32.68 Favored 'General case' 0 C--N 1.295 -1.799 0 CA-C-N 114.351 -1.295 . . . . 2.53 109.195 -177.471 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.561 HG12 ' O ' ' A' ' 3' ' ' THR . 34.6 mm -72.6 -51.79 26.53 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.047 0 N-CA-C 108.94 -0.763 . . . . 1.16 108.94 179.142 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.501 HG12 HG11 ' A' ' 26' ' ' VAL . 53.0 t -52.51 -46.97 48.69 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 CA-C-N 116.019 -0.537 . . . . 1.22 109.951 177.021 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.53 ' O ' ' HG3' ' A' ' 13' ' ' GLU . . . -53.91 -46.98 71.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.372 -0.831 . . . . 1.24 111.209 179.012 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.97 -43.29 96.13 Favored Glycine 0 C--N 1.338 0.648 0 N-CA-C 111.005 -0.838 . . . . 0.38 111.005 -178.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.424 HD23 HD11 ' A' ' 76' ' ' ILE . 96.9 mt -57.15 -47.82 80.22 Favored 'General case' 0 C--O 1.244 0.802 0 C-N-CA 123.443 0.697 . . . . 1.12 110.931 179.798 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.05 -23.53 62.16 Favored 'General case' 0 N--CA 1.429 -1.496 0 CA-C-N 115.327 -0.851 . . . . 1.1 112.216 -177.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.53 ' HG3' ' O ' ' A' ' 9' ' ' ALA . 49.0 mt-10 -62.91 -39.77 95.56 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-N 118.009 0.368 . . . . 2.48 110.681 176.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.883 ' HB ' HG21 ' A' ' 46' ' ' VAL . 5.3 mp -77.44 -47.99 25.26 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.937 0 C-N-CA 119.899 -0.721 . . . . 1.14 109.615 176.376 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.521 HG23 HG23 ' A' ' 46' ' ' VAL . 41.1 t -61.89 -23.8 32.41 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.418 0 CA-C-O 121.265 0.555 . . . . 1.11 112.187 -178.672 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -72.66 -34.49 67.29 Favored 'General case' 0 C--O 1.213 -0.847 0 O-C-N 121.369 -0.832 . . . . 0.95 110.086 176.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -75.29 -38.64 60.26 Favored 'General case' 0 C--N 1.313 -0.988 0 N-CA-C 109.121 -0.696 . . . . 2.11 109.121 177.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 40.0 mm -74.87 -53.9 15.52 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.936 0 CA-C-N 115.43 -0.804 . . . . 1.33 112.135 -178.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -113.12 -32.84 6.2 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 113.12 0.785 . . . . 1.22 113.12 -174.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.97 30.57 7.03 Favored Glycine 0 C--N 1.313 -0.726 0 C-N-CA 119.775 -1.202 . . . . 0.93 114.396 176.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.476 HD12 ' HB ' ' A' ' 15' ' ' VAL . 1.9 pp -82.59 140.68 44.51 Favored Pre-proline 0 C--N 1.314 -0.957 0 CA-C-N 117.25 0.525 . . . . 1.31 111.915 176.394 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 21' ' ' ILE . 16.6 Cg_exo -64.5 142.56 78.63 Favored 'Trans proline' 0 N--CA 1.452 -0.963 0 C-N-CA 122.579 2.186 . . . . 0.86 110.374 175.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.7 m -76.05 -5.82 7.88 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.224 0 CA-C-O 121.504 0.669 . . . . 2.05 110.984 179.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -85.17 -21.55 29.14 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-N 115.281 -0.872 . . . . 2.03 108.747 175.144 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -82.66 -37.3 25.05 Favored 'General case' 0 CA--C 1.503 -0.857 0 CA-C-N 115.558 -0.747 . . . . 1.07 109.45 -176.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.501 HG11 HG12 ' A' ' 8' ' ' VAL . 27.9 t -73.2 87.43 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.047 0 CA-C-N 114.91 -1.041 . . . . 1.46 111.246 -176.159 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.417 ' H ' ' HG2' ' A' ' 30' ' ' LYS . 95.6 mttt -107.81 166.15 10.91 Favored 'General case' 0 C--N 1.293 -1.872 0 N-CA-C 107.091 -1.448 . . . . 3.36 107.091 174.235 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -49.28 -40.66 35.43 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 115.947 1.832 . . . . 1.64 115.947 -169.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -88.78 16.2 7.17 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 114.022 1.119 . . . . 2.47 114.022 -176.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.577 ' HD2' ' OD2' ' A' ' 35' ' ' ASP . 18.7 mmtp -84.71 124.59 31.68 Favored 'General case' 0 C--N 1.314 -0.936 0 C-N-CA 119.62 -0.832 . . . . 1.67 110.165 176.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.71 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 7.3 t -95.87 144.56 26.11 Favored 'General case' 0 C--N 1.295 -1.774 0 N-CA-C 109.086 -0.709 . . . . 1.72 109.086 177.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.624 ' HA ' HD12 ' A' ' 36' ' ' LEU . 98.0 m-85 -71.37 24.33 0.04 OUTLIER 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 124.297 1.039 . . . . 1.03 112.855 -176.433 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.733 ' HB ' ' HB3' ' A' ' 40' ' ' SER . 9.7 t -172.48 -48.34 0.02 OUTLIER 'General case' 0 N--CA 1.439 -1.018 0 C-N-CA 122.764 0.425 . . . . 1.85 110.738 175.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.462 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 13.4 t70 -62.05 -39.17 91.44 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-O 121.649 0.738 . . . . 2.31 109.784 -178.757 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.577 ' OD2' ' HD2' ' A' ' 30' ' ' LYS . 20.4 t70 -105.55 -58.05 1.95 Allowed 'General case' 0 C--N 1.308 -1.22 0 CA-C-N 115.541 -0.754 . . . . 1.67 111.27 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.624 HD12 ' HA ' ' A' ' 32' ' ' PHE . 75.2 mt -57.91 147.04 30.07 Favored 'General case' 0 CA--C 1.5 -0.964 0 N-CA-C 114.176 1.176 . . . . 1.23 114.176 -171.517 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -89.74 65.8 6.92 Favored 'General case' 0 C--N 1.296 -1.741 0 CA-C-N 113.613 -1.63 . . . . 2.15 108.089 -177.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.406 HG23 ' H ' ' A' ' 40' ' ' SER . 30.9 m -130.07 -172.33 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.402 -2.831 0 CA-C-N 112.891 -1.958 . . . . 2.86 109.393 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -117.13 25.14 10.69 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-O 121.296 0.569 . . . . 2.96 109.686 175.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.733 ' HB3' ' HB ' ' A' ' 33' ' ' THR . 95.2 p 61.93 -71.25 0.04 OUTLIER 'General case' 0 C--N 1.317 -0.833 0 C-N-CA 127.298 2.239 . . . . 1.56 114.481 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.1 mp -45.9 -24.35 0.39 Allowed 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 125.62 1.568 . . . . 1.81 114.024 -175.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.0 m -60.05 -26.91 66.51 Favored 'General case' 0 C--N 1.304 -1.396 0 C-N-CA 123.702 0.801 . . . . 1.5 111.421 177.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.46 ' O ' HG13 ' A' ' 46' ' ' VAL . 9.3 tmm? -62.13 -22.48 65.87 Favored 'General case' 0 C--O 1.216 -0.7 0 C-N-CA 124.016 0.926 . . . . 1.2 110.66 -179.241 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 58.9 t -56.69 -26.93 24.63 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.108 0 CA-C-O 121.257 0.551 . . . . 1.3 111.113 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -81.1 -28.55 35.17 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 116.23 -0.441 . . . . 2.06 112.037 176.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.883 HG21 ' HB ' ' A' ' 14' ' ' ILE . 12.5 p -82.22 -34.25 12.12 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.076 0 C-N-CA 120.43 -0.508 . . . . 2.03 110.764 -178.558 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.413 ' O ' ' HG2' ' A' ' 51' ' ' GLU . 11.5 p -62.59 -42.46 96.01 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 C-N-CA 120.175 -0.61 . . . . 1.22 111.061 179.537 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 9.3 p -73.86 -21.37 18.13 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.723 0 CA-C-O 121.707 0.765 . . . . 1.35 110.425 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -86.15 -22.85 26.8 Favored 'General case' 0 C--O 1.21 -1.023 0 CA-C-N 115.867 -0.606 . . . . 1.09 110.124 178.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.11 -32.16 66.71 Favored 'General case' 0 C--N 1.305 -1.349 0 CA-C-N 116.359 -0.382 . . . . 1.07 110.008 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.502 ' CD ' ' H ' ' A' ' 58' ' ' ILE . 5.5 mm-40 -50.91 -55.81 15.33 Favored 'General case' 0 C--N 1.314 -0.963 0 C-N-CA 124.628 1.171 . . . . 0.8 110.514 178.553 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -75.38 -27.98 59.32 Favored 'General case' 0 C--N 1.306 -1.297 0 CA-C-N 114.518 -1.219 . . . . 0.96 111.733 -178.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.0 tpm_? -84.99 -36.88 21.03 Favored 'General case' 0 N--CA 1.437 -1.108 0 N-CA-C 112.462 0.542 . . . . 4.41 112.462 -171.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -108.72 6.72 25.95 Favored 'General case' 0 C--N 1.312 -1.057 0 N-CA-C 112.794 0.664 . . . . 0.49 112.794 -175.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 67.38 36.87 3.72 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 123.745 0.653 . . . . 1.95 110.965 -179.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.485 HG21 ' HA ' ' A' ' 51' ' ' GLU . 22.3 m -114.3 -170.46 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.104 0 CA-C-N 116.204 -0.453 . . . . 1.96 112.038 -178.576 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -167.08 101.62 0.53 Allowed 'General case' 0 C--O 1.247 0.94 0 N-CA-C 106.545 -1.65 . . . . 3.77 106.545 179.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.502 ' H ' ' CD ' ' A' ' 51' ' ' GLU . 33.1 mt -108.17 118.99 51.19 Favored Pre-proline 0 C--N 1.287 -2.141 0 CA-C-N 114.846 -1.07 . . . . 1.24 109.791 -172.766 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.447 ' O ' HG22 ' A' ' 63' ' ' VAL . 27.5 Cg_exo -62.41 129.59 27.27 Favored 'Trans proline' 0 N--CA 1.454 -0.813 0 C-N-CA 122.528 2.152 . . . . 0.79 110.115 176.176 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -50.11 -39.68 43.56 Favored 'General case' 0 N--CA 1.48 1.073 0 N-CA-C 115.351 1.611 . . . . 2.3 115.351 -173.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -83.11 -25.3 32.09 Favored 'General case' 0 C--N 1.305 -1.337 0 C-N-CA 119.086 -1.046 . . . . 2.38 112.874 177.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -71.26 -25.05 62.29 Favored 'General case' 0 C--N 1.314 -0.967 0 N-CA-C 109.529 -0.545 . . . . 1.52 109.529 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.447 HG22 ' O ' ' A' ' 59' ' ' PRO . 58.2 t -55.59 -45.04 78.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 CA-C-N 114.992 -1.004 . . . . 1.42 109.749 174.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -63.88 -8.65 11.73 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-N 115.174 -0.921 . . . . 1.93 113.421 -173.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 56.0 t30 -83.16 -20.11 35.36 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-O 121.138 0.494 . . . . 2.65 109.672 178.028 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 62.1 mt -84.55 176.24 8.75 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.823 -0.806 . . . . 1.24 108.823 -178.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.2 pttm -158.48 -55.32 0.07 Allowed 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 112.613 0.597 . . . . 3.26 112.613 -176.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.71 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 57.9 p -97.49 175.58 6.17 Favored 'General case' 0 N--CA 1.431 -1.392 0 C-N-CA 119.834 -0.746 . . . . 1.17 109.83 179.021 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.525 HG11 ' CZ ' ' A' ' 32' ' ' PHE . 33.4 m -76.28 -13.27 14.7 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.184 0 C-N-CA 120.451 -0.5 . . . . 1.35 110.024 175.266 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -75.8 -27.38 62.89 Favored Glycine 0 N--CA 1.442 -0.918 0 N-CA-C 110.442 -1.063 . . . . 0.46 110.442 174.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -78.37 -38.98 40.54 Favored 'General case' 0 CA--C 1.504 -0.82 0 N-CA-C 107.921 -1.14 . . . . 1.62 107.921 174.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.82 -53.1 56.11 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 114.737 -1.12 . . . . 1.21 110.812 -176.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.513 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 7.2 p -54.48 -55.03 33.19 Favored 'General case' 0 N--CA 1.447 -0.593 0 O-C-N 123.679 0.612 . . . . 1.16 111.553 179.324 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.7 tppt? -55.26 -42.54 73.63 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 124.212 0.945 . . . . 4.01 110.901 -179.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.469 ' HE1' HG12 ' A' ' 58' ' ' ILE . 39.8 t80 -65.76 -46.95 76.89 Favored 'General case' 0 C--O 1.242 0.685 0 CA-C-O 120.919 0.39 . . . . 1.09 110.337 178.683 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.424 HD11 HD23 ' A' ' 11' ' ' LEU . 83.4 mt -59.62 -59.62 3.67 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.59 0 CA-C-N 115.889 -0.596 . . . . 1.26 111.343 -179.566 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' A' ' 73' ' ' THR . 3.5 pp -58.16 -22.61 52.04 Favored 'General case' 0 C--O 1.221 -0.401 0 N-CA-C 112.726 0.639 . . . . 2.3 112.726 -177.146 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 20.8 t70 . . . . . 0 C--N 1.308 -1.232 0 CA-C-N 115.323 -0.853 . . . . 1.32 111.02 178.124 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.749 0 N-CA-C 107.657 -1.238 . . . . 1.46 107.657 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 26.2 m -145.16 170.82 15.49 Favored 'General case' 0 C--N 1.307 -1.281 0 N-CA-C 107.987 -1.116 . . . . 2.11 107.987 174.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -47.22 -52.47 15.77 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 114.649 1.352 . . . . 2.34 114.649 -177.018 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -63.64 -44.44 93.86 Favored 'General case' 0 C--O 1.216 -0.685 0 N-CA-C 110.133 -0.321 . . . . 3.05 110.133 -176.013 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -59.27 -38.26 79.67 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 123.631 0.772 . . . . 2.53 111.781 176.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 41.7 mm -68.41 -50.14 59.63 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 N-CA-C 109.214 -0.661 . . . . 1.16 109.214 177.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.422 ' HA ' HD12 ' A' ' 11' ' ' LEU . 93.2 t -59.24 -39.28 78.37 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.036 0 CA-C-O 121.217 0.532 . . . . 1.22 110.839 178.517 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.26 -25.56 66.13 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 123.03 0.532 . . . . 1.24 111.119 177.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -77.52 -44.65 12.44 Favored Glycine 0 N--CA 1.438 -1.204 0 N-CA-C 109.555 -1.418 . . . . 0.38 109.555 175.074 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' A' ' 8' ' ' VAL . 95.3 mt -55.51 -47.01 76.91 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.723 0.809 . . . . 1.12 111.136 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.77 -25.17 67.81 Favored 'General case' 0 C--O 1.214 -0.814 0 CA-C-N 115.599 -0.728 . . . . 1.1 112.736 -177.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -61.65 -48.7 79.64 Favored 'General case' 0 C--O 1.25 1.123 0 C-N-CA 121.207 -0.197 . . . . 2.48 110.534 176.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.543 HG23 ' HA ' ' A' ' 46' ' ' VAL . 3.6 mp -73.62 -39.79 53.99 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 109.037 -0.727 . . . . 1.14 109.037 179.662 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.46 HG12 ' CG1' ' A' ' 21' ' ' ILE . 61.7 t -64.26 -29.33 47.05 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.028 0 C-N-CA 119.946 -0.702 . . . . 1.11 111.879 179.162 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -69.84 -41.82 74.41 Favored 'General case' 0 C--N 1.319 -0.759 0 O-C-N 121.555 -0.715 . . . . 0.95 110.591 175.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.518 ' HG2' ' HA ' ' A' ' 14' ' ' ILE . 10.7 pt-20 -74.55 -23.85 58.85 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.145 -0.622 . . . . 2.11 111.628 -178.783 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 47.1 mm -92.29 -54.47 7.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 C-N-CA 120.907 -0.317 . . . . 1.33 111.229 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -102.24 -26.98 13.13 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 113.253 0.835 . . . . 1.22 113.253 -171.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 86.78 44.27 5.81 Favored Glycine 0 C--N 1.314 -0.681 0 C-N-CA 120.34 -0.933 . . . . 0.93 113.041 178.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.46 ' CG1' HG12 ' A' ' 15' ' ' VAL . 2.6 pp -89.09 155.84 49.32 Favored Pre-proline 0 C--N 1.308 -1.207 0 O-C-N 122.686 -0.302 . . . . 1.31 111.643 179.355 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 21' ' ' ILE . 2.8 Cg_exo -78.7 138.58 15.2 Favored 'Trans proline' 0 N--CA 1.442 -1.518 0 C-N-CA 122.421 2.081 . . . . 0.86 108.947 172.222 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.2 m -85.91 23.93 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.58 0 CA-C-O 121.969 0.89 . . . . 2.05 113.137 -174.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -110.87 -17.05 13.41 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 107.01 -1.478 . . . . 2.03 107.01 174.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.581 ' O ' ' HE3' ' A' ' 30' ' ' LYS . 3.9 t70 -87.57 -47.83 8.4 Favored 'General case' 0 N--CA 1.441 -0.908 0 CA-C-N 114.7 -1.136 . . . . 1.07 110.502 -171.041 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 46.4 t -68.53 93.46 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.427 -0.806 . . . . 1.46 111.003 -177.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.43 ' H ' ' HG3' ' A' ' 30' ' ' LYS . 52.6 mtmt -124.14 178.57 5.26 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 107.895 -1.15 . . . . 3.36 107.895 175.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -51.95 -41.33 61.98 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 114.969 1.47 . . . . 1.64 114.969 -174.149 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -91.31 68.72 5.93 Favored 'General case' 0 C--N 1.312 -1.061 0 C-N-CA 119.18 -1.008 . . . . 2.47 111.08 179.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.581 ' HE3' ' O ' ' A' ' 25' ' ' ASP . 66.6 mmtt -143.07 154.5 44.01 Favored 'General case' 0 C--N 1.303 -1.425 0 CA-C-N 114.064 -1.425 . . . . 1.67 108.821 176.771 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.52 ' OG ' ' HB3' ' A' ' 34' ' ' ASP . 7.4 p -136.01 148.42 48.4 Favored 'General case' 0 C--N 1.287 -2.128 0 N-CA-C 106.492 -1.67 . . . . 1.72 106.492 174.6 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.462 ' O ' ' HB2' ' A' ' 36' ' ' LEU . 99.0 m-85 -66.07 -45.83 79.88 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 114.76 1.393 . . . . 1.03 114.76 -167.781 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.9 t -120.42 30.86 6.73 Favored 'General case' 0 C--N 1.295 -1.784 0 C-N-CA 118.314 -1.354 . . . . 1.85 112.031 -177.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.52 ' HB3' ' OG ' ' A' ' 31' ' ' SER . 11.7 t70 -128.42 -61.76 1.06 Allowed 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 108.335 -0.987 . . . . 2.31 108.335 175.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -81.85 -34.16 30.26 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 108.688 -0.856 . . . . 1.67 108.688 176.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.462 ' HB2' ' O ' ' A' ' 32' ' ' PHE . 91.8 mt -100.16 176.0 5.54 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 116.139 -0.482 . . . . 1.23 110.054 -178.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -109.98 22.45 15.6 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-O 121.814 0.816 . . . . 2.15 109.19 -178.087 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.45 HG22 ' HB3' ' A' ' 36' ' ' LEU . 33.1 t -79.5 106.05 9.92 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.568 0 CA-C-N 114.802 -1.09 . . . . 2.86 108.53 -178.006 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -55.19 126.87 26.64 Favored 'General case' 0 C--N 1.316 -0.851 0 O-C-N 123.862 0.726 . . . . 2.96 109.519 177.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.414 ' O ' HG21 ' A' ' 44' ' ' VAL . 62.1 p -58.11 -47.79 82.18 Favored 'General case' 0 C--N 1.298 -1.657 0 C-N-CA 124.596 1.158 . . . . 1.56 113.364 -173.496 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.6 mp -61.37 -26.8 68.07 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-O 121.601 0.715 . . . . 1.81 109.969 179.068 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 58.1 m -84.32 -25.23 29.41 Favored 'General case' 0 N--CA 1.436 -1.144 0 CA-C-N 115.349 -0.842 . . . . 1.5 111.121 177.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 7.3 tmm? -70.15 -24.01 63.09 Favored 'General case' 0 C--O 1.217 -0.623 0 N-CA-C 107.795 -1.187 . . . . 1.2 107.795 178.399 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.506 ' HA ' HG11 ' A' ' 47' ' ' VAL . 25.9 t -63.29 -26.42 40.81 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.36 0 CA-C-N 115.119 -0.946 . . . . 1.3 109.053 175.298 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -81.44 -18.9 43.71 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.716 0.77 . . . . 2.06 109.553 177.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.543 ' HA ' HG23 ' A' ' 14' ' ' ILE . 88.2 t -78.99 -56.08 8.09 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.276 0 N-CA-C 108.177 -1.045 . . . . 2.03 108.177 175.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.525 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 14.8 p -56.89 -33.47 41.74 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 N-CA-C 112.968 0.729 . . . . 1.22 112.968 -177.661 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 12.7 p -67.11 -27.98 41.19 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.11 0 C-N-CA 120.017 -0.673 . . . . 1.35 110.511 178.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -86.45 -23.36 26.05 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.699 0.762 . . . . 1.09 109.267 176.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.39 -37.38 71.57 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 115.728 -0.669 . . . . 1.07 110.575 179.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.538 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 39.6 mt-10 -57.82 -48.42 79.8 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.318 0.58 . . . . 0.8 110.385 178.311 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -73.23 -35.42 66.28 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.674 -0.694 . . . . 0.96 112.124 -179.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.464 ' HA ' ' HD2' ' A' ' 53' ' ' ARG . 13.3 tpt180 -72.01 -52.1 18.62 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 120.847 0.356 . . . . 4.41 111.85 -178.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -86.92 2.88 47.83 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 116.099 -0.501 . . . . 0.49 111.894 -174.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 26.7 t70 66.38 10.76 7.5 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.256 1.022 . . . . 1.95 111.914 173.165 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.538 ' O ' ' HA ' ' A' ' 51' ' ' GLU . 4.5 p -119.65 121.32 65.94 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.422 0 CA-C-N 115.596 -0.729 . . . . 1.96 109.533 -176.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -70.94 126.87 30.76 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 115.562 -0.745 . . . . 3.77 109.308 179.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 24.9 mt -129.69 95.78 28.47 Favored Pre-proline 0 C--N 1.298 -1.646 0 N-CA-C 107.615 -1.254 . . . . 1.24 107.615 -176.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.409 ' O ' HG22 ' A' ' 63' ' ' VAL . 31.6 Cg_exo -62.4 125.25 15.84 Favored 'Trans proline' 0 N--CA 1.453 -0.863 0 C-N-CA 122.274 1.983 . . . . 0.79 110.197 -179.424 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.614 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 7.2 p-10 -58.86 -25.75 63.59 Favored 'General case' 0 C--O 1.216 -0.698 0 O-C-N 123.245 0.341 . . . . 2.3 111.13 -177.747 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -62.81 -34.93 78.33 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 122.768 0.427 . . . . 2.38 111.004 176.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -84.11 -30.4 25.98 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 108.826 -0.805 . . . . 1.52 108.826 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.514 HG21 HG23 ' A' ' 47' ' ' VAL . 91.8 t -59.05 -23.87 25.51 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 CA-C-N 114.829 -1.078 . . . . 1.42 110.833 177.051 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.614 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 92.7 mttt -75.54 -3.07 32.05 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.605 -0.725 . . . . 1.93 111.161 -178.144 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 59.9 m-20 -98.54 -20.81 16.84 Favored 'General case' 0 CA--C 1.509 -0.632 0 N-CA-C 109.56 -0.533 . . . . 2.65 109.56 177.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.541 HD11 ' HA ' ' A' ' 72' ' ' ALA . 55.3 mt -86.22 162.31 18.37 Favored 'General case' 0 N--CA 1.439 -1.008 0 C-N-CA 120.692 -0.403 . . . . 1.24 110.915 -172.504 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 51.3 mtpt -131.03 -62.82 0.88 Allowed 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 112.669 0.618 . . . . 3.26 112.669 -176.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 63.2 p -93.09 177.0 6.2 Favored 'General case' 0 C--N 1.306 -1.296 0 C-N-CA 119.925 -0.71 . . . . 1.17 111.216 -178.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.442 HG13 ' CZ ' ' A' ' 32' ' ' PHE . 24.1 m -83.97 -16.79 10.75 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.084 0 N-CA-C 109.963 -0.384 . . . . 1.35 109.963 177.334 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -78.6 -29.08 53.71 Favored Glycine 0 N--CA 1.443 -0.834 0 N-CA-C 109.044 -1.622 . . . . 0.46 109.044 174.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -77.73 -28.69 50.85 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 114.274 -0.963 . . . . 1.62 108.745 175.144 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.541 ' HA ' HD11 ' A' ' 66' ' ' LEU . . . -73.44 -49.38 27.22 Favored 'General case' 0 C--O 1.245 0.843 0 CA-C-N 115.173 -0.921 . . . . 1.21 110.592 178.32 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.488 ' O ' ' HB2' ' A' ' 77' ' ' LEU . 7.7 p -56.68 -37.89 71.5 Favored 'General case' 0 C--O 1.19 -2.068 0 CA-C-N 116.121 -0.49 . . . . 1.16 111.099 178.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.9 ttpp -51.61 -35.71 42.86 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 123.89 0.876 . . . . 4.01 112.986 179.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -76.67 -54.87 6.07 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.797 0.808 . . . . 1.09 108.987 177.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 93.5 mt -55.14 -46.9 77.77 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.089 0 C-N-CA 125.26 1.424 . . . . 1.26 112.123 -177.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.488 ' HB2' ' O ' ' A' ' 73' ' ' THR . 14.1 tp -51.68 -23.32 4.28 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 127.472 2.309 . . . . 2.3 112.181 -176.14 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 27.0 t70 . . . . . 0 C--N 1.32 -0.693 0 CA-C-O 121.286 0.565 . . . . 1.32 110.863 -178.952 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.214 -0.783 0 N-CA-C 110.591 -0.151 . . . . 1.46 110.591 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.585 ' O ' HG12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -102.31 -174.2 2.51 Favored 'General case' 0 C--N 1.306 -1.299 0 C-N-CA 119.356 -0.938 . . . . 2.11 112.744 -174.018 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -44.51 -53.88 6.57 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 114.957 1.466 . . . . 2.34 114.957 -169.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -66.68 -40.97 88.77 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.193 0.521 . . . . 3.05 110.39 -176.016 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -65.9 -34.48 78.23 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.147 -0.933 . . . . 2.53 109.836 177.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.585 HG12 ' O ' ' A' ' 3' ' ' THR . 44.7 mm -61.57 -57.7 10.92 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.789 0 N-CA-C 108.876 -0.787 . . . . 1.16 108.876 177.212 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 70.9 t -51.18 -51.41 22.7 Favored 'Isoleucine or valine' 0 C--O 1.243 0.736 0 C-N-CA 123.568 0.747 . . . . 1.22 110.625 178.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.45 -32.44 71.38 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.814 -0.63 . . . . 1.24 111.649 179.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.447 ' C ' ' HZ ' ' A' ' 54' ' ' PHE . . . -77.83 -40.61 21.19 Favored Glycine 0 C--O 1.216 -0.984 0 N-CA-C 111.473 -0.651 . . . . 0.38 111.473 178.765 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' ' 7' ' ' ILE . 95.9 mt -54.39 -46.25 73.05 Favored 'General case' 0 CA--C 1.506 -0.725 0 C-N-CA 123.558 0.743 . . . . 1.12 110.497 -179.452 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.98 -23.66 67.28 Favored 'General case' 0 C--O 1.199 -1.599 0 CA-C-N 115.338 -0.846 . . . . 1.1 112.211 -179.501 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -66.69 -43.2 85.06 Favored 'General case' 0 CA--C 1.503 -0.85 0 CA-C-O 120.719 0.295 . . . . 2.48 110.243 178.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.582 HG22 ' HA ' ' A' ' 46' ' ' VAL . 4.2 mp -74.21 -39.92 50.14 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.049 0 N-CA-C 108.604 -0.887 . . . . 1.14 108.604 177.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.431 HG11 ' CG1' ' A' ' 21' ' ' ILE . 40.4 t -65.88 -24.03 33.37 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.378 0 C-N-CA 119.987 -0.685 . . . . 1.11 111.026 179.183 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -71.58 -47.72 52.98 Favored 'General case' 0 C--O 1.213 -0.833 0 CA-C-N 116.313 -0.403 . . . . 0.95 110.742 176.269 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.441 ' HG2' ' HA ' ' A' ' 14' ' ' ILE . 11.9 pt-20 -69.09 -23.77 64.05 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.107 0.479 . . . . 2.11 111.553 -178.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.402 ' CG2' ' HB3' ' A' ' 42' ' ' SER . 39.9 mm -89.55 -53.63 8.99 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.067 0 CA-C-N 115.894 -0.594 . . . . 1.33 111.832 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -111.28 -5.78 14.63 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 114.51 1.3 . . . . 1.22 114.51 -172.293 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.3 44.48 74.72 Favored Glycine 0 C--N 1.311 -0.826 0 C-N-CA 120.751 -0.738 . . . . 0.93 113.028 -179.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.431 ' CG1' HG11 ' A' ' 15' ' ' VAL . 2.6 pp -94.79 155.92 38.76 Favored Pre-proline 0 C--N 1.306 -1.294 0 O-C-N 122.331 -0.511 . . . . 1.31 111.142 177.734 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_exo -67.76 137.3 41.51 Favored 'Trans proline' 0 N--CA 1.448 -1.175 0 C-N-CA 121.951 1.767 . . . . 0.86 108.803 172.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 35.6 m -85.31 12.4 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.37 0 CA-C-O 122.259 1.028 . . . . 2.05 112.245 -174.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -114.96 -2.72 12.78 Favored 'General case' 0 C--N 1.286 -2.175 0 CA-C-N 114.112 -1.404 . . . . 2.03 108.396 176.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.444 ' O ' ' HE3' ' A' ' 30' ' ' LYS . 22.2 t70 -80.7 -42.73 21.47 Favored 'General case' 0 CA--C 1.508 -0.647 0 CA-C-N 115.05 -0.977 . . . . 1.07 108.569 -179.027 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 44.9 t -74.95 88.43 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.314 -0.976 0 CA-C-N 114.627 -1.17 . . . . 1.46 110.106 -179.131 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.448 ' HA ' ' HD3' ' A' ' 27' ' ' LYS . 32.8 mmtp -115.01 177.54 4.61 Favored 'General case' 0 C--N 1.31 -1.12 0 N-CA-C 108.845 -0.798 . . . . 3.36 108.845 173.178 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -49.89 -33.51 17.46 Favored 'General case' 0 N--CA 1.486 1.325 0 N-CA-C 115.935 1.828 . . . . 1.64 115.935 -170.405 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -88.41 10.47 19.91 Favored 'General case' 0 C--N 1.309 -1.153 0 N-CA-C 113.495 0.924 . . . . 2.47 113.495 -177.107 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.757 ' HD3' ' HB3' ' A' ' 35' ' ' ASP . 45.0 mmtt -93.67 135.02 35.37 Favored 'General case' 0 C--N 1.301 -1.539 0 CA-C-O 120.617 0.246 . . . . 1.67 111.421 178.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.631 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 29.5 t -111.04 151.32 28.16 Favored 'General case' 0 C--N 1.308 -1.198 0 N-CA-C 106.376 -1.712 . . . . 1.72 106.376 172.271 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.673 ' HA ' HD11 ' A' ' 36' ' ' LEU . 67.4 m-85 -68.09 -36.25 79.48 Favored 'General case' 0 C--O 1.201 -1.461 0 N-CA-C 114.993 1.479 . . . . 1.03 114.993 -166.276 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.433 ' HB ' ' HB3' ' A' ' 40' ' ' SER . 8.1 t -126.48 35.14 4.69 Favored 'General case' 0 C--N 1.273 -2.729 0 CA-C-O 123.449 1.595 . . . . 1.85 109.434 -175.569 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.446 ' HB2' ' HB3' ' A' ' 31' ' ' SER . 5.5 m-20 -136.8 -63.43 0.61 Allowed 'General case' 0 C--N 1.296 -1.725 0 CA-C-N 113.61 -1.632 . . . . 2.31 107.516 -179.533 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.757 ' HB3' ' HD3' ' A' ' 30' ' ' LYS . 8.1 m-20 -90.34 -20.36 22.97 Favored 'General case' 0 CA--C 1.488 -1.413 0 CA-C-N 115.356 -0.838 . . . . 1.67 110.886 -178.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.673 HD11 ' HA ' ' A' ' 32' ' ' PHE . 57.4 mt -91.37 152.07 20.58 Favored 'General case' 0 N--CA 1.418 -2.037 0 CA-C-O 121.566 0.698 . . . . 1.23 111.243 -179.053 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -98.93 37.99 1.45 Allowed 'General case' 0 C--N 1.291 -1.977 0 CA-C-N 114.38 -1.282 . . . . 2.15 109.935 -172.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 14.9 m -105.85 -169.48 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.402 -2.842 0 CA-C-O 121.482 0.658 . . . . 2.86 111.209 -175.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.428 ' O ' ' HB2' ' A' ' 42' ' ' SER . 5.5 m-20 -116.09 119.2 35.08 Favored 'General case' 0 C--N 1.289 -2.05 0 N-CA-C 104.959 -2.237 . . . . 2.96 104.959 169.643 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.433 ' HB3' ' HB ' ' A' ' 33' ' ' THR . 26.3 p -57.64 -33.22 68.07 Favored 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 112.858 0.688 . . . . 1.56 112.858 -176.44 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.0 mp -61.14 -22.42 64.67 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-O 121.506 0.669 . . . . 1.81 110.482 179.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.428 ' HB2' ' O ' ' A' ' 39' ' ' ASP . 35.0 m -84.39 -17.77 38.26 Favored 'General case' 0 N--CA 1.44 -0.936 0 C-N-CA 123.72 0.808 . . . . 1.5 111.337 179.243 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 36.1 ttp -69.14 -21.15 64.03 Favored 'General case' 0 C--O 1.219 -0.518 0 O-C-N 122.09 -0.382 . . . . 1.2 110.788 -175.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 59.6 t -54.35 -48.53 67.99 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.137 0 CA-C-N 116.117 -0.492 . . . . 1.3 109.854 178.059 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -63.35 -29.98 71.2 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.858 0.361 . . . . 2.06 111.317 175.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.582 ' HA ' HG22 ' A' ' 14' ' ' ILE . 98.7 t -70.17 -53.41 23.48 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.065 0 CA-C-N 115.938 -0.574 . . . . 2.03 110.244 -179.748 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.508 HG22 HG23 ' A' ' 63' ' ' VAL . 12.7 p -62.13 -38.13 80.15 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 N-CA-C 112.326 0.491 . . . . 1.22 112.326 -177.417 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 14.9 p -70.36 -29.66 39.96 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.799 0 C-N-CA 120.03 -0.668 . . . . 1.35 110.439 178.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.451 ' O ' ' HG2' ' A' ' 53' ' ' ARG . . . -76.23 -31.44 58.38 Favored 'General case' 0 C--O 1.213 -0.846 0 N-CA-C 109.32 -0.622 . . . . 1.09 109.32 176.13 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.19 -40.91 97.63 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-N 116.163 -0.471 . . . . 1.07 109.945 178.04 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.661 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 32.2 mt-10 -55.37 -54.13 47.51 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.27 -0.423 . . . . 0.8 111.426 177.764 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -68.35 -44.23 75.7 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.005 -0.543 . . . . 0.96 112.433 -178.102 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.451 ' HG2' ' O ' ' A' ' 49' ' ' ALA . 14.5 mmt85 -75.38 -36.39 60.91 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 111.981 0.363 . . . . 4.41 111.981 -174.312 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.447 ' HZ ' ' C ' ' A' ' 10' ' ' GLY . 79.4 m-85 -96.08 -2.08 47.37 Favored 'General case' 0 CA--C 1.512 -0.504 0 N-CA-C 113.615 0.969 . . . . 0.49 113.615 -176.392 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 68.5 33.89 3.84 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 123.458 0.474 . . . . 1.95 110.694 176.482 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.794 HG12 HG21 ' A' ' 76' ' ' ILE . 7.0 p -144.97 112.71 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.327 0 CA-C-O 121.439 0.638 . . . . 1.96 110.615 -178.452 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp -78.73 132.94 37.15 Favored 'General case' 0 C--N 1.289 -2.051 0 C-N-CA 119.532 -0.867 . . . . 3.77 111.08 176.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.446 HG23 ' CE1' ' A' ' 75' ' ' TYR . 51.6 mt -129.71 105.83 17.08 Favored Pre-proline 0 C--N 1.295 -1.768 0 CA-C-N 114.426 -1.261 . . . . 1.24 108.169 -172.74 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.496 ' O ' HG21 ' A' ' 63' ' ' VAL . 48.5 Cg_exo -58.52 123.49 13.7 Favored 'Trans proline' 0 C--O 1.24 0.588 0 C-N-CA 123.128 2.552 . . . . 0.79 111.911 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -54.72 -27.45 40.83 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 114.308 1.225 . . . . 2.3 114.308 -175.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -68.91 -38.25 79.45 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 120.552 0.215 . . . . 2.38 111.481 177.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -76.35 -34.53 58.96 Favored 'General case' 0 C--O 1.244 0.78 0 CA-C-O 121.205 0.526 . . . . 1.52 109.875 -177.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.508 HG23 HG22 ' A' ' 47' ' ' VAL . 85.2 t -49.72 -51.55 15.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 CA-C-N 114.003 -1.453 . . . . 1.42 110.992 179.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -65.44 -11.5 43.49 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 123.344 0.657 . . . . 1.93 112.251 -172.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -94.5 -8.51 38.18 Favored 'General case' 0 C--N 1.298 -1.673 0 CA-C-O 121.16 0.505 . . . . 2.65 111.319 -178.627 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.51 HD13 ' HA ' ' A' ' 72' ' ' ALA . 96.0 mt -91.63 -176.95 4.65 Favored 'General case' 0 C--N 1.314 -0.953 0 N-CA-C 108.077 -1.083 . . . . 1.24 108.077 176.2 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 40.8 pttt -148.75 -71.84 0.2 Allowed 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 113.718 1.007 . . . . 3.26 113.718 -179.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.631 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 66.5 p -80.47 170.73 15.97 Favored 'General case' 0 C--N 1.314 -0.973 0 C-N-CA 119.436 -0.905 . . . . 1.17 110.747 -176.117 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 33.9 m -73.42 -13.65 16.22 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.028 0 N-CA-C 109.671 -0.492 . . . . 1.35 109.671 175.381 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -78.39 -37.9 26.53 Favored Glycine 0 N--CA 1.435 -1.418 0 N-CA-C 109.584 -1.407 . . . . 0.46 109.584 175.29 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -71.56 -32.33 67.99 Favored 'General case' 0 CA--C 1.505 -0.754 0 N-CA-C 108.823 -0.806 . . . . 1.62 108.823 177.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.51 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -69.5 -55.02 11.4 Favored 'General case' 0 N--CA 1.431 -1.415 0 CA-C-N 114.607 -1.178 . . . . 1.21 109.762 -179.006 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.644 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 13.8 p -56.57 -39.58 73.72 Favored 'General case' 0 N--CA 1.444 -0.748 0 O-C-N 123.726 0.641 . . . . 1.16 112.02 -178.551 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.8 tppt? -54.4 -44.58 72.45 Favored 'General case' 0 CA--C 1.535 0.377 0 O-C-N 123.909 0.756 . . . . 4.01 110.996 178.078 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.446 ' CE1' HG23 ' A' ' 58' ' ' ILE . 55.9 t80 -73.46 -47.98 37.2 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.087 0.47 . . . . 1.09 110.074 178.102 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.794 HG21 HG12 ' A' ' 56' ' ' VAL . 93.7 mt -52.69 -65.76 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.076 -0.966 . . . . 1.26 111.836 -177.365 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.644 ' HG ' ' O ' ' A' ' 73' ' ' THR . 2.9 pp -64.4 -22.46 66.97 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.733 0.642 . . . . 2.3 112.733 -174.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 36.7 t70 . . . . . 0 C--N 1.317 -0.836 0 CA-C-O 121.991 0.901 . . . . 1.32 110.201 179.548 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . 0.405 ' HB2' ' HB2' ' A' ' 6' ' ' GLU . . . . . . . . 0 N--CA 1.444 -0.73 0 N-CA-C 108.286 -1.005 . . . . 1.46 108.286 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.551 ' O ' HG12 ' A' ' 7' ' ' ILE . 4.0 m -105.13 171.28 7.4 Favored 'General case' 0 N--CA 1.427 -1.588 0 C-N-CA 120.353 -0.539 . . . . 2.11 110.537 -176.189 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.455 ' HB2' HD13 ' A' ' 28' ' ' LEU . 15.3 pt20 -40.1 -46.01 2.08 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 115.78 1.77 . . . . 2.34 115.78 -173.236 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -65.64 -53.17 45.18 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 109.5 -0.556 . . . . 3.05 109.5 -178.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.405 ' HB2' ' HB2' ' A' ' 2' ' ' ALA . 1.6 mp0 -62.09 -34.05 75.57 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.191 -0.913 . . . . 2.53 110.159 178.568 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.551 HG12 ' O ' ' A' ' 3' ' ' THR . 35.1 mm -61.17 -56.21 19.42 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.724 0 CA-C-N 116.211 -0.45 . . . . 1.16 109.855 177.698 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.521 ' HA ' HD11 ' A' ' 11' ' ' LEU . 85.4 t -59.11 -38.53 74.71 Favored 'Isoleucine or valine' 0 C--O 1.242 0.701 0 CA-C-O 120.811 0.339 . . . . 1.22 111.15 -179.756 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.07 -37.74 88.55 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.216 0.532 . . . . 1.24 110.108 176.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.43 ' O ' ' HG2' ' A' ' 13' ' ' GLU . . . -71.73 -26.68 72.35 Favored Glycine 0 C--O 1.207 -1.55 0 N-CA-C 111.268 -0.733 . . . . 0.38 111.268 178.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.521 HD11 ' HA ' ' A' ' 8' ' ' VAL . 96.4 mt -66.18 -44.7 83.25 Favored 'General case' 0 C--N 1.309 -1.178 0 N-CA-C 109.102 -0.703 . . . . 1.12 109.102 175.766 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.22 -27.65 69.5 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 113.623 0.972 . . . . 1.1 113.623 -176.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.69 ' HG3' HD11 ' A' ' 14' ' ' ILE . 10.8 pt-20 -67.92 -31.79 71.8 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 119.774 -0.77 . . . . 2.48 111.081 179.276 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.69 HD11 ' HG3' ' A' ' 13' ' ' GLU . 3.7 mp -86.38 -41.85 15.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 108.694 -0.854 . . . . 1.14 108.694 174.722 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.511 HG13 HG13 ' A' ' 21' ' ' ILE . 84.0 t -61.66 -31.74 51.66 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.244 0 N-CA-C 112.958 0.725 . . . . 1.11 112.958 -178.257 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -71.98 -30.98 65.83 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 121.28 -0.888 . . . . 0.95 110.113 175.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -70.23 -41.96 72.88 Favored 'General case' 0 C--N 1.31 -1.136 0 N-CA-C 109.154 -0.684 . . . . 2.11 109.154 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.408 HG13 HG21 ' A' ' 46' ' ' VAL . 47.2 mm -80.73 -53.47 12.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.4 -0.818 . . . . 1.33 112.228 -176.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -103.69 -49.06 3.76 Favored 'General case' 0 C--N 1.306 -1.296 0 CA-C-O 121.149 0.499 . . . . 1.22 111.132 -175.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 101.11 43.75 2.16 Favored Glycine 0 C--N 1.304 -1.202 0 C-N-CA 119.823 -1.179 . . . . 0.93 112.848 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.511 HG13 HG13 ' A' ' 15' ' ' VAL . 1.6 pp -82.31 162.2 57.18 Favored Pre-proline 0 C--N 1.301 -1.519 0 O-C-N 122.998 -0.119 . . . . 1.31 110.751 175.554 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.506 ' HB2' ' HB2' ' A' ' 25' ' ' ASP . 15.1 Cg_exo -71.09 127.43 13.53 Favored 'Trans proline' 0 N--CA 1.442 -1.536 0 N-CA-C 108.135 -1.525 . . . . 0.86 108.135 173.226 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.1 m -76.65 -5.81 8.01 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.385 0 N-CA-C 112.741 0.645 . . . . 2.05 112.741 -175.121 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -88.1 -21.73 24.53 Favored 'General case' 0 C--N 1.314 -0.947 0 N-CA-C 107.552 -1.277 . . . . 2.03 107.552 174.407 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.506 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 20.2 t70 -82.09 -30.54 31.19 Favored 'General case' 0 C--N 1.307 -1.282 0 CA-C-N 115.01 -0.996 . . . . 1.07 110.831 -172.061 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.534 ' HA ' ' HG3' ' A' ' 30' ' ' LYS . 22.0 t -75.75 83.09 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.313 -0.991 0 CA-C-N 115.282 -0.872 . . . . 1.46 109.95 -178.77 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -100.6 177.79 4.9 Favored 'General case' 0 C--N 1.297 -1.677 0 CA-C-N 114.542 -1.208 . . . . 3.36 108.651 177.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.455 HD13 ' HB2' ' A' ' 4' ' ' GLN . 4.2 mm? -59.6 -21.31 60.21 Favored 'General case' 0 N--CA 1.492 1.638 0 N-CA-C 112.865 0.691 . . . . 1.64 112.865 178.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -90.61 32.61 0.96 Allowed 'General case' 0 C--N 1.305 -1.361 0 CA-C-O 120.952 0.406 . . . . 2.47 111.457 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.534 ' HG3' ' HA ' ' A' ' 26' ' ' VAL . 71.6 mmtt -115.47 171.74 7.53 Favored 'General case' 0 C--N 1.303 -1.456 0 CA-C-O 121.717 0.77 . . . . 1.67 112.994 179.68 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.445 ' HB2' HG21 ' A' ' 68' ' ' THR . 19.9 t -149.93 153.52 36.76 Favored 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 105.186 -2.153 . . . . 1.72 105.186 178.273 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -67.37 -51.98 45.53 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 113.442 0.904 . . . . 1.03 113.442 -169.26 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.533 ' HB ' ' O ' ' A' ' 38' ' ' VAL . 11.5 t -123.18 19.49 9.88 Favored 'General case' 0 C--N 1.285 -2.223 0 C-N-CA 118.514 -1.274 . . . . 1.85 110.778 -179.413 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -116.24 -39.78 3.36 Favored 'General case' 0 C--N 1.3 -1.573 0 C-N-CA 119.314 -0.954 . . . . 2.31 110.722 179.019 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -107.61 -29.15 9.32 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 108.81 -0.811 . . . . 1.67 108.81 177.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 93.7 mt -100.04 -171.23 2.0 Favored 'General case' 0 C--O 1.24 0.573 0 N-CA-C 109.236 -0.653 . . . . 1.23 109.236 177.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -128.95 78.41 1.85 Allowed 'General case' 0 C--N 1.308 -1.212 0 N-CA-C 107.439 -1.319 . . . . 2.15 107.439 -178.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.533 ' O ' ' HB ' ' A' ' 33' ' ' THR . 25.3 t -137.94 113.82 10.61 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.435 0 CA-C-N 114.011 -1.449 . . . . 2.86 107.881 -177.43 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -56.16 122.95 12.9 Favored 'General case' 0 CA--C 1.507 -0.69 0 N-CA-C 109.505 -0.554 . . . . 2.96 109.505 175.212 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.401 ' HA ' ' HB2' ' A' ' 43' ' ' MET . 75.3 p -66.6 -32.42 73.74 Favored 'General case' 0 C--N 1.304 -1.404 0 CA-C-O 121.157 0.503 . . . . 1.56 112.238 -175.007 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -61.25 -33.14 73.04 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-O 121.845 0.831 . . . . 1.81 108.986 176.347 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 32.8 m -84.8 -17.41 38.26 Favored 'General case' 0 N--CA 1.44 -0.93 0 C-N-CA 124.537 1.135 . . . . 1.5 111.612 177.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.401 ' HB2' ' HA ' ' A' ' 40' ' ' SER . 8.4 tmm? -69.32 -22.23 63.79 Favored 'General case' 0 C--O 1.217 -0.64 0 N-CA-C 107.952 -1.129 . . . . 1.2 107.952 179.714 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.483 ' HA ' HG12 ' A' ' 47' ' ' VAL . 40.4 t -63.75 -23.79 34.2 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.448 0 CA-C-N 115.329 -0.85 . . . . 1.3 110.056 176.557 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -82.68 -21.98 34.72 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-O 121.717 0.77 . . . . 2.06 109.153 175.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.453 ' HA ' HG21 ' A' ' 14' ' ' ILE . 86.0 t -76.76 -57.35 6.09 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 N-CA-C 108.579 -0.897 . . . . 2.03 108.579 177.675 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.522 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 9.8 p -51.78 -41.21 29.06 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.632 0 N-CA-C 113.079 0.77 . . . . 1.22 113.079 -177.635 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 11.1 p -63.86 -32.43 57.04 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.789 0 C-N-CA 120.57 -0.452 . . . . 1.35 111.129 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.52 ' O ' ' HB2' ' A' ' 53' ' ' ARG . . . -86.01 -16.74 37.29 Favored 'General case' 0 C--O 1.213 -0.816 0 CA-C-N 115.878 -0.601 . . . . 1.09 109.999 179.121 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -81.54 -37.8 27.2 Favored 'General case' 0 C--N 1.306 -1.304 0 CA-C-N 116.025 -0.534 . . . . 1.07 110.008 177.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.522 ' HG3' ' O ' ' A' ' 47' ' ' VAL . 44.1 mt-10 -55.99 -43.29 77.51 Favored 'General case' 0 C--O 1.241 0.651 0 CA-C-O 121.341 0.591 . . . . 0.8 111.215 178.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.77 -32.01 59.74 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.389 -0.823 . . . . 0.96 111.238 179.002 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.52 ' HB2' ' O ' ' A' ' 49' ' ' ALA . 2.5 tpp180 -70.94 -47.33 59.62 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.259 -0.882 . . . . 4.41 110.769 -174.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.438 ' HB2' HG13 ' A' ' 56' ' ' VAL . 65.6 m-85 -97.6 -10.58 24.87 Favored 'General case' 0 C--N 1.311 -1.093 0 N-CA-C 113.184 0.809 . . . . 0.49 113.184 -174.441 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.426 ' HB2' ' O ' ' A' ' 54' ' ' PHE . 19.8 m-20 70.41 50.13 0.41 Allowed 'General case' 0 N--CA 1.494 1.742 0 CA-C-O 121.613 0.72 . . . . 1.95 110.53 -176.662 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.912 HG11 HG21 ' A' ' 76' ' ' ILE . 3.1 p -147.77 106.79 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.297 -1.712 0 CA-C-N 114.993 -1.003 . . . . 1.96 109.7 -179.466 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 59.6 pttt -72.92 131.41 42.18 Favored 'General case' 0 C--N 1.291 -1.935 0 CA-C-N 115.522 -0.763 . . . . 3.77 109.383 177.336 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 59.4 mt -125.01 97.87 37.29 Favored Pre-proline 0 C--N 1.288 -2.105 0 CA-C-N 114.819 -1.082 . . . . 1.24 108.374 -175.25 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.418 ' HD2' ' HB2' ' A' ' 62' ' ' ASP . 33.0 Cg_exo -62.74 156.29 54.15 Favored 'Trans proline' 0 C--O 1.248 0.986 0 C-N-CA 122.397 2.065 . . . . 0.79 110.442 177.445 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.553 ' HA ' HG13 ' A' ' 63' ' ' VAL . 24.4 t70 -57.57 -38.73 75.29 Favored 'General case' 0 C--N 1.305 -1.364 0 CA-C-O 121.358 0.599 . . . . 2.3 111.292 -178.222 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -61.96 -36.7 82.2 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 115.484 -0.78 . . . . 2.38 111.491 177.121 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.418 ' HB2' ' HD2' ' A' ' 59' ' ' PRO . 1.7 m-20 -80.36 -32.92 37.65 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.894 -0.594 . . . . 1.52 112.462 -179.834 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.553 HG13 ' HA ' ' A' ' 60' ' ' ASP . 7.9 p -69.47 -45.24 78.94 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.499 0 CA-C-O 121.101 0.477 . . . . 1.42 110.355 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -64.77 -13.39 55.1 Favored 'General case' 0 C--N 1.31 -1.152 0 CA-C-N 115.284 -0.871 . . . . 1.93 112.554 177.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -83.05 -19.54 36.68 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-O 121.133 0.492 . . . . 2.65 110.426 -178.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.555 HD12 ' HA ' ' A' ' 72' ' ' ALA . 77.0 mt -95.86 174.5 6.92 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 116.169 -0.469 . . . . 1.24 110.338 -174.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.631 ' HZ1' ' HB3' ' A' ' 67' ' ' LYS . 0.3 OUTLIER -143.71 -58.25 0.4 Allowed 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 113.9 1.074 . . . . 3.26 113.9 -178.902 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.445 HG21 ' HB2' ' A' ' 31' ' ' SER . 64.0 p -99.21 -175.61 3.07 Favored 'General case' 0 N--CA 1.437 -1.121 0 O-C-N 121.674 -0.641 . . . . 1.17 109.556 -177.234 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.444 HG22 ' O ' ' A' ' 30' ' ' LYS . 33.4 m -84.62 -24.73 7.22 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.118 0 C-N-CA 119.727 -0.789 . . . . 1.35 109.752 177.186 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -82.51 -21.99 59.2 Favored Glycine 0 C--N 1.34 0.796 0 N-CA-C 110.691 -0.964 . . . . 0.46 110.691 178.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -78.83 -34.81 44.89 Favored 'General case' 0 C--N 1.305 -1.367 0 CA-C-N 114.873 -0.664 . . . . 1.62 109.29 175.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.555 ' HA ' HD12 ' A' ' 66' ' ' LEU . . . -77.05 -42.44 38.42 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 114.934 -1.03 . . . . 1.21 112.966 -177.374 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.537 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 1.6 p -49.47 -42.71 43.93 Favored 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 113.429 0.9 . . . . 1.16 113.429 -176.426 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -60.74 -44.13 97.05 Favored 'General case' 0 C--O 1.217 -0.612 0 O-C-N 123.645 0.59 . . . . 4.01 111.471 -178.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -65.28 -43.91 89.7 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.01 0.433 . . . . 1.09 110.003 177.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.912 HG21 HG11 ' A' ' 56' ' ' VAL . 93.5 mt -58.02 -65.78 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 114.769 -1.105 . . . . 1.26 111.036 -178.338 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' A' ' 73' ' ' THR . 3.4 pp -61.83 -22.61 65.64 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 113.184 0.809 . . . . 2.3 113.184 -175.569 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 9.3 t70 . . . . . 0 C--N 1.307 -1.251 0 CA-C-N 115.932 -0.576 . . . . 1.32 111.026 179.082 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.432 -1.333 0 N-CA-C 108.342 -0.984 . . . . 1.46 108.342 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.408 ' O ' HG12 ' A' ' 7' ' ' ILE . 4.0 m -92.55 166.66 12.4 Favored 'General case' 0 C--N 1.281 -2.374 0 C-N-CA 118.387 -1.325 . . . . 2.11 109.703 -177.209 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -43.92 -51.64 7.45 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 114.997 1.48 . . . . 2.34 114.997 -170.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -63.53 -29.32 70.6 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-O 121.666 0.746 . . . . 3.05 111.34 -178.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -85.79 -30.56 22.92 Favored 'General case' 0 N--CA 1.432 -1.353 0 CA-C-N 115.148 -0.933 . . . . 2.53 109.157 -178.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.468 HD11 HG21 ' A' ' 76' ' ' ILE . 37.1 mm -63.14 -60.63 2.46 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.702 0 N-CA-C 108.343 -0.984 . . . . 1.16 108.343 175.151 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 97.9 t -52.13 -50.37 36.04 Favored 'Isoleucine or valine' 0 C--O 1.244 0.806 0 C-N-CA 123.775 0.83 . . . . 1.22 111.458 -178.106 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.57 -42.32 82.82 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.202 -0.454 . . . . 1.24 111.16 179.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -71.16 -41.21 60.49 Favored Glycine 0 N--CA 1.436 -1.36 0 CA-C-N 115.849 -0.614 . . . . 0.38 111.574 -178.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 7' ' ' ILE . 91.5 mt -54.46 -47.98 72.28 Favored 'General case' 0 CA--C 1.507 -0.707 0 C-N-CA 123.142 0.577 . . . . 1.12 110.442 178.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.72 -23.52 67.4 Favored 'General case' 0 N--CA 1.44 -0.973 0 CA-C-N 115.38 -0.827 . . . . 1.1 112.601 -178.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -63.89 -49.23 73.51 Favored 'General case' 0 C--O 1.245 0.841 0 CA-C-O 120.776 0.322 . . . . 2.48 110.564 177.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.632 HG22 ' HA ' ' A' ' 46' ' ' VAL . 3.9 mp -72.69 -42.43 62.28 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.05 0 N-CA-C 108.542 -0.91 . . . . 1.14 108.542 179.507 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.425 HG12 ' CG1' ' A' ' 21' ' ' ILE . 88.8 t -59.1 -40.45 80.91 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.827 0 N-CA-C 112.457 0.54 . . . . 1.11 112.457 -178.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.436 ' HA ' ' H ' ' A' ' 21' ' ' ILE . 50.1 t-20 -65.84 -41.37 91.81 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.456 -0.572 . . . . 0.95 109.456 178.301 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -67.25 -46.41 73.82 Favored 'General case' 0 C--N 1.309 -1.191 0 CA-C-O 121.47 0.653 . . . . 2.11 110.447 -179.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 28.4 mm -70.92 -53.76 20.44 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.079 0 CA-C-N 115.598 -0.728 . . . . 1.33 112.519 -176.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -115.98 -35.17 4.51 Favored 'General case' 0 C--N 1.309 -1.173 0 N-CA-C 112.633 0.605 . . . . 1.22 112.633 -173.399 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.72 95.59 2.12 Favored Glycine 0 N--CA 1.436 -1.31 0 C-N-CA 119.77 -1.205 . . . . 0.93 112.243 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.436 ' H ' ' HA ' ' A' ' 16' ' ' ASN . 2.5 pp -132.27 160.95 65.85 Favored Pre-proline 0 C--N 1.297 -1.713 0 N-CA-C 109.255 -0.646 . . . . 1.31 109.255 176.503 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.449 ' HB2' ' HB2' ' A' ' 25' ' ' ASP . 15.9 Cg_exo -73.86 142.81 32.27 Favored 'Trans proline' 0 CA--C 1.548 1.193 0 C-N-CA 122.095 1.864 . . . . 0.86 110.604 172.51 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 32.1 m -80.04 7.92 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 N-CA-C 113.041 0.756 . . . . 2.05 113.041 -174.219 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -130.44 9.22 5.1 Favored 'General case' 0 C--N 1.294 -1.805 0 N-CA-C 108.559 -0.904 . . . . 2.03 108.559 177.255 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.6 ' O ' ' HE3' ' A' ' 30' ' ' LYS . 25.8 t70 -92.24 -33.7 14.56 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-O 121.413 0.625 . . . . 1.07 110.709 -176.286 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.5 ' HA ' ' HG3' ' A' ' 30' ' ' LYS . 45.2 t -77.0 88.95 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.296 -1.728 0 CA-C-N 115.217 -0.901 . . . . 1.46 111.956 -174.691 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -94.39 -174.0 3.22 Favored 'General case' 0 C--N 1.306 -1.304 0 N-CA-C 106.732 -1.581 . . . . 3.36 106.732 167.18 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.507 HD11 ' HA2' ' A' ' 70' ' ' GLY . 3.1 mm? -68.72 -31.81 71.15 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 118.506 0.594 . . . . 1.64 111.882 -174.845 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -81.65 36.91 0.45 Allowed 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.806 0.842 . . . . 2.47 111.49 -176.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.6 ' HE3' ' O ' ' A' ' 25' ' ' ASP . 60.3 mmtt -122.54 121.11 35.75 Favored 'General case' 0 C--N 1.314 -0.936 0 C-N-CA 123.609 0.763 . . . . 1.67 109.993 -179.8 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.631 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 32.4 t -104.53 141.55 36.19 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 108.552 -0.907 . . . . 1.72 108.552 177.503 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.606 ' HA ' HD12 ' A' ' 36' ' ' LEU . 98.4 m-85 -56.34 -44.65 80.26 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 114.509 1.299 . . . . 1.03 114.509 -168.511 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.5 t -122.28 41.13 3.49 Favored 'General case' 0 C--N 1.285 -2.199 0 CA-C-O 122.575 1.179 . . . . 1.85 110.792 -179.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -137.03 -61.38 0.66 Allowed 'General case' 0 C--N 1.294 -1.832 0 N-CA-C 107.887 -1.153 . . . . 2.31 107.887 174.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -87.48 -35.84 18.0 Favored 'General case' 0 CA--C 1.491 -1.303 0 CA-C-N 114.524 -1.216 . . . . 1.67 109.109 179.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.606 HD12 ' HA ' ' A' ' 32' ' ' PHE . 84.3 mt -92.83 156.74 16.79 Favored 'General case' 0 N--CA 1.43 -1.433 0 CA-C-N 115.458 -0.792 . . . . 1.23 110.316 -175.448 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -93.9 40.71 1.08 Allowed 'General case' 0 C--N 1.309 -1.161 0 CA-C-O 122.638 1.209 . . . . 2.15 108.954 -177.388 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.457 HG22 ' HB3' ' A' ' 36' ' ' LEU . 39.5 t -99.15 115.37 39.63 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.437 0 CA-C-N 115.269 -0.878 . . . . 2.86 110.846 -175.104 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -58.46 118.62 5.79 Favored 'General case' 0 CA--C 1.509 -0.625 0 N-CA-C 105.959 -1.867 . . . . 2.96 105.959 168.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . 0.417 2.8 p -67.32 -30.0 69.72 Favored 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 117.767 2.506 . . . . 1.56 117.767 -170.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.9 mp -64.75 -24.09 67.45 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 118.791 -1.164 . . . . 1.81 110.442 172.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.3 m -84.17 -14.35 50.4 Favored 'General case' 0 N--CA 1.43 -1.435 0 CA-C-N 115.618 -0.719 . . . . 1.5 110.8 179.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 5.1 tmm? -72.39 -23.11 61.06 Favored 'General case' 0 C--O 1.215 -0.74 0 N-CA-C 107.815 -1.18 . . . . 1.2 107.815 179.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.506 ' HA ' HG13 ' A' ' 47' ' ' VAL . 47.9 t -62.64 -28.12 44.22 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.256 0 CA-C-N 115.821 -0.627 . . . . 1.3 110.201 177.737 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -74.73 -25.17 58.93 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.7 -0.852 . . . . 2.06 108.7 178.248 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.632 ' HA ' HG22 ' A' ' 14' ' ' ILE . 59.7 t -76.71 -60.63 2.16 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 CA-C-N 114.929 -1.032 . . . . 2.03 108.939 179.503 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.506 HG13 ' HA ' ' A' ' 44' ' ' VAL . 11.8 p -52.91 -42.05 42.24 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.105 0 N-CA-C 113.113 0.783 . . . . 1.22 113.113 -177.166 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 9.0 p -68.47 -26.67 34.08 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.13 0 CA-C-O 121.327 0.584 . . . . 1.35 111.179 -178.42 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -86.3 -26.84 24.71 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.767 0.794 . . . . 1.09 109.685 178.237 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.52 -36.87 76.84 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-N 115.506 -0.77 . . . . 1.07 111.039 -179.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -50.78 -56.68 10.96 Favored 'General case' 0 CA--C 1.533 0.315 0 O-C-N 123.713 0.633 . . . . 0.8 111.622 179.447 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -66.98 -39.91 87.3 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 115.621 -0.718 . . . . 0.96 112.832 -178.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -70.89 -38.97 73.06 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.704 0.631 . . . . 4.41 112.704 -174.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -94.01 -11.4 30.87 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.03 0.381 . . . . 0.49 112.03 -177.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 38.6 t70 69.79 68.81 0.24 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 122.448 1.118 . . . . 1.95 110.329 -177.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.5 HG12 HG22 ' A' ' 76' ' ' ILE . 13.7 p -155.01 163.65 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.402 0 CA-C-N 114.04 -1.437 . . . . 1.96 107.208 -179.77 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.429 ' HE3' ' HB3' ' A' ' 57' ' ' LYS . 22.5 mtpp -129.76 131.59 46.3 Favored 'General case' 0 C--N 1.291 -1.96 0 N-CA-C 109.638 -0.504 . . . . 3.77 109.638 172.393 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 61.4 mt -125.03 105.73 28.94 Favored Pre-proline 0 C--N 1.297 -1.711 0 CA-C-N 115.281 -0.872 . . . . 1.24 108.767 -176.172 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.436 ' O ' HG23 ' A' ' 63' ' ' VAL . 15.2 Cg_exo -71.16 156.89 58.72 Favored 'Trans proline' 0 N--CA 1.461 -0.431 0 C-N-CA 123.362 2.708 . . . . 0.79 112.238 179.307 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -45.26 -43.08 10.18 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 125.716 1.606 . . . . 2.3 112.325 -178.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -67.75 -27.84 67.12 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 115.644 -0.707 . . . . 2.38 111.834 -177.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.415 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 37.0 m-20 -86.59 -37.58 17.97 Favored 'General case' 0 C--N 1.308 -1.209 0 O-C-N 122.12 -0.363 . . . . 1.52 110.757 178.689 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 59' ' ' PRO . 87.5 t -53.39 -52.65 30.03 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.08 0 O-C-N 123.728 0.642 . . . . 1.42 109.481 177.588 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -72.42 -9.64 58.78 Favored 'General case' 0 C--N 1.31 -1.139 0 N-CA-C 113.109 0.781 . . . . 1.93 113.109 -177.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -91.91 -31.04 15.82 Favored 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 111.91 0.337 . . . . 2.65 111.91 -176.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.466 HD12 ' HA ' ' A' ' 72' ' ' ALA . 60.4 mt -73.04 175.4 6.71 Favored 'General case' 0 C--N 1.319 -0.755 0 C-N-CA 121.33 -0.148 . . . . 1.24 110.797 -175.408 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -141.18 -68.89 0.39 Allowed 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 113.408 0.892 . . . . 3.26 113.408 -178.228 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.631 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 36.0 p -93.34 178.62 5.66 Favored 'General case' 0 N--CA 1.435 -1.183 0 N-CA-C 109.465 -0.568 . . . . 1.17 109.465 178.245 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.468 ' O ' HG21 ' A' ' 73' ' ' THR . 34.3 m -75.35 -26.15 18.41 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.299 0 N-CA-C 108.759 -0.83 . . . . 1.35 108.759 173.574 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.507 ' HA2' HD11 ' A' ' 28' ' ' LEU . . . -69.77 -46.2 54.68 Favored Glycine 0 N--CA 1.44 -1.051 0 N-CA-C 110.264 -1.135 . . . . 0.46 110.264 176.419 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -62.31 -28.84 70.01 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-O 121.717 0.77 . . . . 1.62 109.734 178.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.472 ' O ' HG13 ' A' ' 76' ' ' ILE . . . -78.9 -45.8 19.81 Favored 'General case' 0 N--CA 1.43 -1.439 0 CA-C-N 115.034 -0.985 . . . . 1.21 110.811 -179.558 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.468 HG21 ' O ' ' A' ' 69' ' ' VAL . 38.8 p -51.41 -38.34 53.0 Favored 'General case' 0 C--N 1.351 0.649 0 N-CA-C 113.608 0.966 . . . . 1.16 113.608 -176.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.7 tmtt? -63.01 -53.2 57.64 Favored 'General case' 0 C--O 1.211 -0.93 0 N-CA-C 108.603 -0.888 . . . . 4.01 108.603 179.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -59.35 -45.13 92.26 Favored 'General case' 0 N--CA 1.466 0.335 0 O-C-N 123.201 0.313 . . . . 1.09 111.157 -178.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.5 HG22 HG12 ' A' ' 56' ' ' VAL . 79.5 mt -57.6 -64.34 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 109.434 -0.58 . . . . 1.26 109.434 179.717 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 49.9 tp -55.1 -29.09 56.9 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.751 0.821 . . . . 2.3 111.752 -178.069 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 15.0 t70 . . . . . 0 C--N 1.309 -1.168 0 CA-C-N 115.453 -0.794 . . . . 1.32 110.861 -179.627 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.516 -0.365 0 N-CA-C 108.821 -0.807 . . . . 1.46 108.821 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.693 ' O ' HG12 ' A' ' 7' ' ' ILE . 1.2 m -109.65 -162.45 0.81 Allowed 'General case' 0 C--N 1.313 -1.005 0 CA-C-O 118.666 -0.683 . . . . 2.11 110.082 179.741 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.402 ' H ' HG21 ' A' ' 3' ' ' THR . 8.7 tt0 -53.85 -56.73 14.96 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 115.01 1.485 . . . . 2.34 115.01 -165.65 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -67.22 -35.98 80.71 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 120.893 0.378 . . . . 3.05 110.777 -176.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -68.55 -32.18 71.93 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 115.576 -0.738 . . . . 2.53 111.196 177.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.693 HG12 ' O ' ' A' ' 3' ' ' THR . 43.0 mm -67.88 -51.68 47.47 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.544 0 N-CA-C 107.884 -1.154 . . . . 1.16 107.884 177.743 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.513 HG11 ' HD3' ' A' ' 27' ' ' LYS . 56.5 t -49.06 -47.48 17.31 Favored 'Isoleucine or valine' 0 C--O 1.242 0.688 0 C-N-CA 123.994 0.918 . . . . 1.22 111.092 177.58 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.41 ' O ' ' HG3' ' A' ' 13' ' ' GLU . . . -61.84 -44.41 96.9 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.834 -0.621 . . . . 1.24 111.174 179.476 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -69.08 -37.29 82.29 Favored Glycine 0 N--CA 1.445 -0.743 0 CA-C-N 115.9 -0.591 . . . . 0.38 111.93 -177.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 7' ' ' ILE . 91.3 mt -57.28 -46.61 82.94 Favored 'General case' 0 CA--C 1.506 -0.725 0 CA-C-O 121.047 0.451 . . . . 1.12 110.032 178.286 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.55 ' HB1' HG21 ' A' ' 23' ' ' VAL . . . -70.63 -24.85 62.8 Favored 'General case' 0 N--CA 1.429 -1.488 0 CA-C-N 115.619 -0.719 . . . . 1.1 111.816 -179.086 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.41 ' HG3' ' O ' ' A' ' 9' ' ' ALA . 47.3 mt-10 -61.47 -47.28 86.38 Favored 'General case' 0 CA--C 1.509 -0.63 0 C-N-CA 121.04 -0.264 . . . . 2.48 110.444 176.042 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.516 HG21 ' HA ' ' A' ' 46' ' ' VAL . 3.1 mp -73.26 -44.01 56.08 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.882 0 C-N-CA 119.734 -0.786 . . . . 1.14 109.584 177.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.481 HG11 HG13 ' A' ' 21' ' ' ILE . 48.3 t -63.58 -23.72 34.05 Favored 'Isoleucine or valine' 0 CA--C 1.571 1.763 0 C-N-CA 120.107 -0.637 . . . . 1.11 112.268 -179.323 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -70.14 -39.46 75.39 Favored 'General case' 0 N--CA 1.477 0.899 0 O-C-N 121.466 -0.771 . . . . 0.95 110.977 176.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -79.19 -28.73 42.65 Favored 'General case' 0 C--N 1.318 -0.769 0 C-N-CA 119.735 -0.786 . . . . 2.11 111.176 179.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 46.2 mm -81.95 -53.78 11.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 116.497 -0.32 . . . . 1.33 111.687 179.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -107.38 -18.23 13.92 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 113.378 0.881 . . . . 1.22 113.378 -173.132 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.54 24.95 40.8 Favored Glycine 0 C--N 1.318 -0.468 0 C-N-CA 120.669 -0.777 . . . . 0.93 113.568 177.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.481 HG13 HG11 ' A' ' 15' ' ' VAL . 2.5 pp -80.3 155.1 74.54 Favored Pre-proline 0 C--N 1.311 -1.068 0 N-CA-C 112.017 0.377 . . . . 1.31 112.017 -179.809 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_exo -65.37 148.3 88.09 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 122.075 1.85 . . . . 0.86 109.274 172.123 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.55 HG21 ' HB1' ' A' ' 12' ' ' ALA . 13.1 p -71.22 -16.8 19.55 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.018 0 CA-C-O 121.701 0.762 . . . . 2.05 111.228 -176.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -87.78 -6.58 58.09 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.851 -0.613 . . . . 2.03 110.463 176.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.482 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 35.6 t70 -79.36 -43.39 23.57 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-O 120.742 0.306 . . . . 1.07 111.335 -174.823 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.537 ' HB ' ' HB2' ' A' ' 12' ' ' ALA . 70.3 t -82.1 92.67 2.41 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.061 0 N-CA-C 109.172 -0.677 . . . . 1.46 109.172 179.124 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.513 ' HD3' HG11 ' A' ' 8' ' ' VAL . 53.1 mmtt -125.6 176.95 6.51 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 115.432 -0.804 . . . . 3.36 109.928 179.048 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.529 HD11 ' HA2' ' A' ' 70' ' ' GLY . 3.1 mm? -54.89 -35.51 64.18 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.931 0.892 . . . . 1.64 112.777 -172.46 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -77.59 -3.77 42.48 Favored 'General case' 0 C--N 1.316 -0.883 0 C-N-CA 123.588 0.755 . . . . 2.47 112.601 -175.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.482 ' HG3' ' O ' ' A' ' 25' ' ' ASP . 35.8 mmtp -103.03 142.24 34.45 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 122.207 -0.308 . . . . 1.67 111.299 -176.562 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.632 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 26.8 t -108.73 149.73 28.6 Favored 'General case' 0 C--O 1.255 1.359 0 N-CA-C 107.579 -1.267 . . . . 1.72 107.579 168.737 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.617 ' HA ' HD11 ' A' ' 36' ' ' LEU . 65.8 m-85 -61.71 -49.82 74.93 Favored 'General case' 0 C--O 1.215 -0.713 0 N-CA-C 115.089 1.515 . . . . 1.03 115.089 -167.71 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.591 HG23 ' HB3' ' A' ' 40' ' ' SER . 13.5 t -119.06 46.07 1.96 Allowed 'General case' 0 C--N 1.295 -1.796 0 C-N-CA 117.912 -1.515 . . . . 1.85 110.308 177.154 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.522 ' HB2' ' HB3' ' A' ' 31' ' ' SER . 22.4 m-20 -136.05 -47.84 0.66 Allowed 'General case' 0 CA--C 1.496 -1.119 0 CA-C-N 114.035 -1.439 . . . . 2.31 108.498 175.663 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -107.86 -32.22 7.69 Favored 'General case' 0 CA--C 1.481 -1.685 0 CA-C-N 115.294 -0.866 . . . . 1.67 110.322 -178.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.617 HD11 ' HA ' ' A' ' 32' ' ' PHE . 77.2 mt -89.69 156.26 18.67 Favored 'General case' 0 N--CA 1.426 -1.633 0 N-CA-C 107.875 -1.157 . . . . 1.23 107.875 178.344 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -92.88 18.84 8.4 Favored 'General case' 0 C--N 1.302 -1.498 0 CA-C-O 122.828 1.299 . . . . 2.15 109.437 -179.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.471 HG21 ' HB3' ' A' ' 36' ' ' LEU . 21.7 t -89.53 100.63 11.12 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.015 0 CA-C-N 113.731 -1.577 . . . . 2.86 107.856 -178.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.443 ' O ' ' HB2' ' A' ' 42' ' ' SER . 27.3 t70 -56.64 149.2 18.16 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 109.74 -0.467 . . . . 2.96 109.74 177.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.591 ' HB3' HG23 ' A' ' 33' ' ' THR . 35.8 p -60.74 -40.23 91.65 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 112.654 0.613 . . . . 1.56 112.654 -175.182 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.1 mp -65.84 -23.03 66.59 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.505 0.669 . . . . 1.81 110.415 -179.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.443 ' HB2' ' O ' ' A' ' 39' ' ' ASP . 48.9 m -81.99 -30.58 31.54 Favored 'General case' 0 N--CA 1.435 -1.178 0 CA-C-N 115.349 -0.841 . . . . 1.5 110.684 178.163 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 9.0 tmm? -70.08 -23.0 62.99 Favored 'General case' 0 C--O 1.219 -0.509 0 N-CA-C 108.95 -0.759 . . . . 1.2 108.95 -178.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 43.2 t -57.12 -31.89 38.6 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.165 0 CA-C-N 115.526 -0.761 . . . . 1.3 110.533 178.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -74.67 -29.1 61.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.72 0.772 . . . . 2.06 109.733 178.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.516 ' HA ' HG21 ' A' ' 14' ' ' ILE . 93.8 t -75.21 -58.91 3.82 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.068 0 CA-C-N 114.787 -1.097 . . . . 2.03 110.394 -178.243 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.41 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 12.1 p -51.7 -42.07 30.34 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.924 0 N-CA-C 113.327 0.862 . . . . 1.22 113.327 -175.589 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 11.5 p -69.94 -23.11 25.15 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.994 0 CA-C-O 121.576 0.703 . . . . 1.35 111.018 -178.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -86.21 -29.16 23.39 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.595 0.712 . . . . 1.09 109.233 177.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.64 -27.73 63.28 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.684 -0.689 . . . . 1.07 111.491 -179.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.446 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 91.7 mt-10 -53.95 -51.22 64.5 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-O 121.698 0.761 . . . . 0.8 110.247 177.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -79.74 -31.7 41.05 Favored 'General case' 0 C--N 1.307 -1.264 0 CA-C-N 115.391 -0.822 . . . . 0.96 111.453 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -62.86 -45.87 90.55 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 122.765 0.426 . . . . 4.41 110.98 -176.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.435 ' HB2' HG11 ' A' ' 56' ' ' VAL . 59.1 m-85 -104.05 6.52 36.05 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 120.541 -0.464 . . . . 0.49 112.137 -176.269 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 31.8 t70 63.34 38.17 10.4 Favored 'General case' 0 N--CA 1.489 1.487 0 CA-C-O 122.886 1.327 . . . . 1.95 110.454 177.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.973 HG12 HG22 ' A' ' 76' ' ' ILE . 6.8 p -131.97 104.66 8.48 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.277 0 CA-C-N 115.027 -0.988 . . . . 1.96 110.929 -176.273 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -72.77 93.95 1.73 Allowed 'General case' 0 C--N 1.292 -1.912 0 CA-C-N 115.124 -0.944 . . . . 3.77 108.946 176.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.576 HD13 HG12 ' A' ' 76' ' ' ILE . 73.7 mt -88.42 112.7 51.58 Favored Pre-proline 0 C--N 1.305 -1.337 0 CA-C-N 115.474 -0.785 . . . . 1.24 109.37 -179.118 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.439 ' O ' HG21 ' A' ' 63' ' ' VAL . 34.6 Cg_exo -63.8 146.78 92.27 Favored 'Trans proline' 0 N--CA 1.456 -0.711 0 C-N-CA 122.7 2.267 . . . . 0.79 110.798 179.377 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -53.88 -33.11 55.5 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.418 0.687 . . . . 2.3 111.149 -179.518 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -62.99 -44.55 95.71 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.672 -0.695 . . . . 2.38 110.767 177.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.515 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 6.7 m-20 -71.67 -29.8 65.01 Favored 'General case' 0 CA--C 1.499 -0.992 0 CA-C-N 116.159 -0.473 . . . . 1.52 111.988 -178.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.439 HG21 ' O ' ' A' ' 59' ' ' PRO . 59.9 t -60.5 -41.18 86.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 109.078 -0.712 . . . . 1.42 109.078 176.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -76.41 -13.41 60.12 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.214 -0.903 . . . . 1.93 111.136 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -89.88 -24.17 21.44 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-O 120.927 0.394 . . . . 2.65 110.888 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.515 ' HG ' ' O ' ' A' ' 62' ' ' ASP . 91.2 mt -77.55 169.53 18.14 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.361 -0.381 . . . . 1.24 110.286 -178.131 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.406 ' HG3' ' H ' ' A' ' 68' ' ' THR . 38.4 pttt -148.86 -75.09 0.17 Allowed 'General case' 0 C--N 1.311 -1.081 0 N-CA-C 112.368 0.507 . . . . 3.26 112.368 -177.809 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.632 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 69.5 p -85.96 175.32 8.67 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.906 -0.496 . . . . 1.17 110.213 -179.304 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 88.8 t -70.51 -37.09 68.85 Favored 'Isoleucine or valine' 0 N--CA 1.408 -2.538 0 N-CA-C 107.225 -1.398 . . . . 1.35 107.225 173.178 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.529 ' HA2' HD11 ' A' ' 28' ' ' LEU . . . -63.13 -37.38 94.82 Favored Glycine 0 N--CA 1.45 -0.409 0 CA-C-N 115.553 -0.749 . . . . 0.46 112.634 177.744 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -77.16 -36.64 55.04 Favored 'General case' 0 C--N 1.315 -0.921 0 O-C-N 122.332 -0.51 . . . . 1.62 110.411 179.058 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.439 ' O ' HG13 ' A' ' 76' ' ' ILE . . . -66.03 -53.78 34.22 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.544 -0.753 . . . . 1.21 110.791 -177.624 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.417 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 14.6 p -50.06 -53.01 29.92 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 123.869 0.868 . . . . 1.16 111.525 -178.821 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 21.5 tptm -51.14 -40.19 57.99 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.316 1.446 . . . . 4.01 111.416 -178.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 61.5 t80 -76.55 -48.21 20.07 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 120.755 0.312 . . . . 1.09 110.639 177.073 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.973 HG22 HG12 ' A' ' 56' ' ' VAL . 94.5 mt -50.4 -57.53 2.41 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 C-N-CA 123.982 0.913 . . . . 1.26 111.341 -178.782 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' ' 73' ' ' THR . 4.5 pp -64.76 -21.84 66.85 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 112.905 0.705 . . . . 2.3 112.905 -178.021 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 30.2 t70 . . . . . 0 C--N 1.3 -1.583 0 C-N-CA 120.523 -0.471 . . . . 1.32 111.303 -178.164 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.438 -1.066 0 CA-C-O 120.833 0.349 . . . . 1.46 110.339 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.493 ' O ' HG12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -92.6 -164.67 1.21 Allowed 'General case' 0 C--N 1.307 -1.246 0 CA-C-O 119.14 -0.457 . . . . 2.11 110.285 -178.2 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.564 ' HB2' HD11 ' A' ' 28' ' ' LEU . 0.3 OUTLIER -60.64 -40.22 91.16 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 114.431 1.271 . . . . 2.34 114.431 -170.375 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -68.06 -45.22 74.45 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.408 0.623 . . . . 3.05 109.457 179.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -64.66 -37.65 88.3 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 114.581 -1.19 . . . . 2.53 110.372 -179.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.493 HG12 ' O ' ' A' ' 3' ' ' THR . 39.2 mm -71.24 -52.84 23.96 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.378 0 CA-C-N 116.124 -0.489 . . . . 1.16 110.262 179.213 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.476 ' HA ' HD13 ' A' ' 11' ' ' LEU . 93.3 t -59.94 -36.98 70.2 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 N-CA-C 112.071 0.397 . . . . 1.22 112.071 -178.558 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.69 -34.02 76.27 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 121.127 0.489 . . . . 1.24 110.54 176.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.516 ' O ' ' HB3' ' A' ' 13' ' ' GLU . . . -77.53 -36.91 32.35 Favored Glycine 0 N--CA 1.439 -1.112 0 N-CA-C 110.684 -0.966 . . . . 0.38 110.684 176.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.476 HD13 ' HA ' ' A' ' 8' ' ' VAL . 95.1 mt -58.58 -51.72 68.69 Favored 'General case' 0 CA--C 1.51 -0.565 0 CA-C-O 121.294 0.569 . . . . 1.12 109.661 177.164 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.71 -18.67 64.99 Favored 'General case' 0 C--O 1.202 -1.442 0 CA-C-N 115.25 -0.886 . . . . 1.1 112.095 -178.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.516 ' HB3' ' O ' ' A' ' 10' ' ' GLY . 7.6 tp10 -66.27 -52.61 45.79 Favored 'General case' 0 N--CA 1.425 -1.724 0 N-CA-C 109.05 -0.722 . . . . 2.48 109.05 177.354 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.518 HG22 ' HA ' ' A' ' 46' ' ' VAL . 3.8 mp -72.41 -35.66 52.45 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.941 0 C-N-CA 119.614 -0.835 . . . . 1.14 109.607 178.133 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 56.2 t -67.07 -23.3 30.48 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.18 0 CA-C-O 121.274 0.559 . . . . 1.11 111.582 178.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.458 ' O ' ' HA2' ' A' ' 20' ' ' GLY . 28.1 t-20 -72.0 -29.86 64.64 Favored 'General case' 0 C--N 1.313 -1.018 0 O-C-N 121.473 -0.767 . . . . 0.95 109.946 175.497 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -80.86 -40.03 25.46 Favored 'General case' 0 C--N 1.302 -1.462 0 CA-C-N 115.619 -0.719 . . . . 2.11 109.738 178.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.45 HG13 HG22 ' A' ' 46' ' ' VAL . 47.2 mm -78.82 -53.46 13.62 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.267 0 CA-C-N 115.936 -0.574 . . . . 1.33 111.514 -177.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -100.04 -49.52 4.28 Favored 'General case' 0 C--N 1.302 -1.48 0 CA-C-O 120.802 0.334 . . . . 1.22 110.786 -176.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.458 ' HA2' ' O ' ' A' ' 16' ' ' ASN . . . 116.35 3.58 18.85 Favored Glycine 0 C--N 1.315 -0.608 0 C-N-CA 119.653 -1.261 . . . . 0.93 114.192 178.252 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.604 HG22 HD23 ' A' ' 36' ' ' LEU . 2.2 pp -64.63 146.95 98.15 Favored Pre-proline 0 C--N 1.317 -0.829 0 N-CA-C 112.513 0.56 . . . . 1.31 112.513 178.566 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 21' ' ' ILE . 13.4 Cg_exo -70.22 135.11 28.55 Favored 'Trans proline' 0 N--CA 1.445 -1.325 0 C-N-CA 122.299 1.999 . . . . 0.86 109.811 177.293 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.7 m -63.88 -28.88 45.88 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.951 0 CA-C-O 121.351 0.596 . . . . 2.05 110.599 -178.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -74.48 -14.84 60.88 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.329 -0.851 . . . . 2.03 110.788 -179.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -92.83 -19.12 22.04 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-O 121.271 0.558 . . . . 1.07 110.84 -175.14 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.7 ' HA ' ' HG3' ' A' ' 30' ' ' LYS . 39.8 t -94.03 94.96 4.85 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.583 0 CA-C-N 116.016 -0.538 . . . . 1.46 110.922 -176.139 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -93.68 -169.62 2.15 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 107.156 -1.424 . . . . 3.36 107.156 172.012 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.564 HD11 ' HB2' ' A' ' 4' ' ' GLN . 4.4 mm? -73.22 -11.91 60.68 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 112.353 0.501 . . . . 1.64 112.353 -178.524 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -90.3 18.46 6.04 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 121.535 0.683 . . . . 2.47 110.818 -177.135 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.7 ' HG3' ' HA ' ' A' ' 26' ' ' VAL . 72.3 mmtt -104.38 166.78 10.17 Favored 'General case' 0 C--N 1.303 -1.445 0 CA-C-O 121.574 0.702 . . . . 1.67 110.372 179.255 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.447 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 30.8 t -140.28 161.92 36.52 Favored 'General case' 0 C--N 1.286 -2.191 0 N-CA-C 106.162 -1.792 . . . . 1.72 106.162 176.226 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.485 ' O ' ' HB2' ' A' ' 36' ' ' LEU . 97.6 m-85 -77.67 -48.43 16.79 Favored 'General case' 0 CA--C 1.48 -1.716 0 C-N-CA 120.708 -0.397 . . . . 1.03 110.033 -171.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.613 HG22 ' OG ' ' A' ' 40' ' ' SER . 76.4 p -119.43 -2.24 10.6 Favored 'General case' 0 N--CA 1.412 -2.361 0 C-N-CA 118.033 -1.467 . . . . 1.85 113.64 -179.295 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -91.93 -25.49 18.87 Favored 'General case' 0 CA--C 1.484 -1.586 0 C-N-CA 120.007 -0.677 . . . . 2.31 110.059 176.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -117.88 -52.08 2.44 Favored 'General case' 0 C--N 1.309 -1.191 0 C-N-CA 120.082 -0.647 . . . . 1.67 109.557 178.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.604 HD23 HG22 ' A' ' 21' ' ' ILE . 82.9 mt -75.07 168.06 20.71 Favored 'General case' 0 C--O 1.241 0.647 0 CA-C-O 121.153 0.501 . . . . 1.23 110.813 -176.778 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -92.22 10.9 27.59 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 115.9 -0.591 . . . . 2.15 110.687 -173.145 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.538 HG12 ' HB2' ' A' ' 43' ' ' MET . 47.0 t -52.41 130.92 13.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 C-N-CA 123.706 0.802 . . . . 2.86 111.016 -177.106 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -70.35 16.73 0.07 Allowed 'General case' 0 CA--C 1.568 1.65 0 C-N-CA 125.621 1.568 . . . . 2.96 112.474 -176.399 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.613 ' OG ' HG22 ' A' ' 33' ' ' THR . 3.5 m 63.48 -74.13 0.04 OUTLIER 'General case' 0 CA--C 1.513 -0.475 0 N-CA-C 115.161 1.541 . . . . 1.56 115.161 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.9 mp -61.88 -25.8 67.76 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 122.212 1.006 . . . . 1.81 109.758 -176.375 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 41.3 m -74.95 -20.12 59.82 Favored 'General case' 0 C--N 1.301 -1.506 0 CA-C-N 114.34 -1.3 . . . . 1.5 112.268 179.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.538 ' HB2' HG12 ' A' ' 38' ' ' VAL . 8.0 tmm? -74.54 -21.6 59.44 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 108.454 -0.943 . . . . 1.2 108.454 -179.187 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 37.2 t -61.27 -27.19 41.32 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.488 0 CA-C-N 115.621 -0.718 . . . . 1.3 109.778 178.138 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -79.93 -18.4 50.6 Favored 'General case' 0 C--N 1.34 0.18 0 CA-C-N 115.937 -0.574 . . . . 2.06 111.187 175.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.518 ' HA ' HG22 ' A' ' 14' ' ' ILE . 94.8 t -77.58 -58.18 4.63 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.003 0 N-CA-C 108.093 -1.076 . . . . 2.03 108.093 176.286 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 11.9 p -57.46 -34.45 46.71 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.235 0 N-CA-C 113.486 0.921 . . . . 1.22 113.486 -176.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 14.8 p -66.58 -31.12 52.12 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.827 0 CA-C-O 121.507 0.67 . . . . 1.35 110.165 177.355 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.528 ' O ' ' HB2' ' A' ' 53' ' ' ARG . . . -82.7 -25.01 33.38 Favored 'General case' 0 N--CA 1.443 -0.806 0 N-CA-C 109.223 -0.658 . . . . 1.09 109.223 178.253 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.43 -38.13 80.9 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-N 115.751 -0.658 . . . . 1.07 111.43 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.452 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 41.0 mt-10 -53.32 -54.02 42.48 Favored 'General case' 0 C--O 1.214 -0.814 0 CA-C-O 121.275 0.56 . . . . 0.8 110.742 178.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -72.62 -31.92 65.53 Favored 'General case' 0 C--N 1.306 -1.316 0 CA-C-N 115.567 -0.742 . . . . 0.96 111.749 -179.009 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.528 ' HB2' ' O ' ' A' ' 49' ' ' ALA . 4.0 tpt180 -66.59 -40.51 88.94 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.166 0.507 . . . . 4.41 110.36 -176.602 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.402 ' HB2' HG13 ' A' ' 56' ' ' VAL . 36.4 m-85 -104.32 1.25 30.12 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 116.191 -0.459 . . . . 0.49 110.981 -177.578 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 29.8 t70 60.89 34.11 19.68 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.963 1.305 . . . . 1.95 110.73 177.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.548 HG11 HG22 ' A' ' 76' ' ' ILE . 5.6 p -138.1 109.03 5.36 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.129 0 CA-C-N 114.971 -1.013 . . . . 1.96 109.273 -178.41 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -74.03 143.26 45.6 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 115.326 -0.852 . . . . 3.77 112.732 -177.115 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.472 HG12 ' HE2' ' A' ' 75' ' ' TYR . 28.9 mt -132.54 100.35 15.09 Favored Pre-proline 0 C--N 1.306 -1.302 0 CA-C-N 114.593 -1.185 . . . . 1.24 108.492 -174.733 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.475 ' O ' HG23 ' A' ' 63' ' ' VAL . 52.3 Cg_exo -57.03 137.41 81.83 Favored 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 123.123 2.549 . . . . 0.79 111.676 178.395 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -47.99 -41.62 25.83 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 125.461 1.504 . . . . 2.3 112.673 -175.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -59.48 -43.95 93.15 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.866 -0.606 . . . . 2.38 111.777 178.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.424 ' HA ' ' ND2' ' A' ' 65' ' ' ASN . 10.8 t70 -86.2 -19.65 29.71 Favored 'General case' 0 C--N 1.314 -0.96 0 C-N-CA 120.657 -0.417 . . . . 1.52 111.562 -174.098 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 59' ' ' PRO . 83.4 t -53.87 -56.83 7.32 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.107 0 N-CA-C 108.887 -0.783 . . . . 1.42 108.887 174.782 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt -72.16 -2.07 17.32 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.162 -0.927 . . . . 1.93 112.817 -173.441 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.424 ' ND2' ' HA ' ' A' ' 62' ' ' ASP . 92.7 m-20 -83.26 -14.44 53.15 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.793 -0.639 . . . . 2.65 109.534 175.237 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.537 HD12 ' HA ' ' A' ' 72' ' ' ALA . 77.2 mt -87.75 177.07 7.12 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 109.162 -0.681 . . . . 1.24 109.162 179.818 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.416 ' HG3' ' H ' ' A' ' 68' ' ' THR . 14.9 ptpt -149.33 -70.61 0.2 Allowed 'General case' 0 C--N 1.312 -1.032 0 N-CA-C 113.691 0.997 . . . . 3.26 113.691 -177.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.437 HG22 ' HB2' ' A' ' 31' ' ' SER . 73.8 p -88.77 -178.74 5.84 Favored 'General case' 0 N--CA 1.438 -1.066 0 O-C-N 121.657 -0.652 . . . . 1.17 109.431 -178.517 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 28.6 m -83.59 -13.56 11.8 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 C-N-CA 119.455 -0.898 . . . . 1.35 109.002 175.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.524 ' HA2' HD13 ' A' ' 28' ' ' LEU . . . -83.42 -29.8 32.12 Favored Glycine 0 N--CA 1.439 -1.147 0 N-CA-C 110.029 -1.229 . . . . 0.46 110.029 175.663 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.467 ' OD2' ' HA ' ' A' ' 66' ' ' LEU . 35.7 t70 -83.07 -34.78 26.11 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 120.981 0.419 . . . . 1.62 110.292 176.653 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.537 ' HA ' HD12 ' A' ' 66' ' ' LEU . . . -64.82 -32.59 74.36 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.292 0.568 . . . . 1.21 111.125 -179.645 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.9 p -72.73 -21.58 61.01 Favored 'General case' 0 N--CA 1.413 -2.284 0 CA-C-N 115.766 -0.652 . . . . 1.16 112.61 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 55.5 tptt -61.21 -50.17 74.18 Favored 'General case' 0 C--O 1.219 -0.501 0 C-N-CA 123.032 0.533 . . . . 4.01 110.444 -179.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.472 ' HE2' HG12 ' A' ' 58' ' ' ILE . 85.9 t80 -62.19 -41.12 98.05 Favored 'General case' 0 C--O 1.244 0.799 0 CA-C-O 121.848 0.832 . . . . 1.09 110.869 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.548 HG22 HG11 ' A' ' 56' ' ' VAL . 93.8 mt -66.68 -65.37 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.455 0 CA-C-N 114.718 -1.128 . . . . 1.26 110.384 -178.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 10.8 mp -54.55 -21.98 11.81 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 125.191 1.396 . . . . 2.3 112.986 178.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 31.3 t70 . . . . . 0 C--N 1.31 -1.149 0 CA-C-O 120.907 0.384 . . . . 1.32 110.644 174.869 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.241 0.637 0 N-CA-C 107.576 -1.268 . . . . 1.46 107.576 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.594 ' O ' HG12 ' A' ' 7' ' ' ILE . 0.3 OUTLIER -93.18 175.72 6.67 Favored 'General case' 0 C--N 1.3 -1.558 0 C-N-CA 118.956 -1.098 . . . . 2.11 111.862 -174.873 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.418 ' H ' HG23 ' A' ' 3' ' ' THR . 3.9 pt20 -54.22 -41.02 68.2 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 114.206 1.188 . . . . 2.34 114.206 -170.065 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -65.69 -45.21 83.66 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.426 -0.583 . . . . 3.05 109.426 178.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 -59.97 -41.02 91.07 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 115.54 -0.755 . . . . 2.53 109.859 176.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.594 HG12 ' O ' ' A' ' 3' ' ' THR . 48.7 mm -62.18 -58.74 6.21 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.236 0 CA-C-N 115.428 -0.805 . . . . 1.16 109.625 179.612 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.528 ' HA ' HD11 ' A' ' 11' ' ' LEU . 94.2 t -54.42 -49.96 61.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 123.447 0.699 . . . . 1.22 111.68 -178.247 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.43 -36.74 74.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.435 -0.348 . . . . 1.24 110.934 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.433 ' C ' ' HZ ' ' A' ' 54' ' ' PHE . . . -70.68 -39.82 66.46 Favored Glycine 0 N--CA 1.445 -0.758 0 N-CA-C 110.74 -0.944 . . . . 0.38 110.74 178.66 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.528 HD11 ' HA ' ' A' ' 8' ' ' VAL . 96.9 mt -55.56 -46.24 77.2 Favored 'General case' 0 C--O 1.24 0.556 0 C-N-CA 123.342 0.657 . . . . 1.12 110.059 178.748 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.42 -23.9 67.06 Favored 'General case' 0 N--CA 1.44 -0.936 0 CA-C-N 115.275 -0.875 . . . . 1.1 112.259 -178.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -66.31 -43.77 85.27 Favored 'General case' 0 CA--C 1.508 -0.642 0 N-CA-C 110.454 -0.202 . . . . 2.48 110.454 177.36 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.861 ' HB ' HG21 ' A' ' 46' ' ' VAL . 4.6 mp -78.46 -36.85 20.77 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.876 0 C-N-CA 119.016 -1.074 . . . . 1.14 109.089 178.175 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.566 HG21 HG23 ' A' ' 46' ' ' VAL . 97.8 t -63.73 -23.18 32.7 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.316 0 CA-C-O 121.589 0.709 . . . . 1.11 111.618 177.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -66.36 -28.48 68.68 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.301 0.572 . . . . 0.95 110.159 174.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -83.43 -43.82 15.44 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 109.054 -0.721 . . . . 2.11 109.054 174.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.591 HG13 ' HB ' ' A' ' 46' ' ' VAL . 51.0 mm -58.04 -52.64 55.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.291 -0.868 . . . . 1.33 111.01 -178.259 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -124.23 -42.67 2.11 Favored 'General case' 0 C--N 1.313 -1.008 0 N-CA-C 112.196 0.443 . . . . 1.22 112.196 -177.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 106.23 52.82 0.76 Allowed Glycine 0 C--N 1.316 -0.567 0 C-N-CA 119.506 -1.33 . . . . 0.93 112.621 -179.365 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.454 HG13 HG12 ' A' ' 15' ' ' VAL . 1.8 pp -98.87 161.49 24.74 Favored Pre-proline 0 C--N 1.307 -1.254 0 O-C-N 122.72 -0.283 . . . . 1.31 110.926 177.682 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.415 ' HB2' ' HB2' ' A' ' 25' ' ' ASP . 16.3 Cg_exo -73.38 131.37 16.24 Favored 'Trans proline' 0 N--CA 1.451 -0.987 0 C-N-CA 122.547 2.164 . . . . 0.86 109.787 175.457 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 14.0 p -61.24 -33.03 54.63 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.143 0 N-CA-C 112.305 0.483 . . . . 2.05 112.305 -176.162 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -89.12 -2.9 58.74 Favored 'General case' 0 C--N 1.32 -0.685 0 O-C-N 122.08 -0.388 . . . . 2.03 111.532 -179.066 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.415 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 24.7 t70 -85.1 -28.56 25.51 Favored 'General case' 0 C--O 1.24 0.598 0 CA-C-O 121.903 0.859 . . . . 1.07 109.552 -177.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 32.9 t -82.06 95.35 3.07 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.581 0 CA-C-N 114.385 -1.28 . . . . 1.46 109.472 -179.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.416 ' HA ' ' HD3' ' A' ' 27' ' ' LYS . 73.4 mmtt -106.95 178.34 4.59 Favored 'General case' 0 C--N 1.309 -1.188 0 N-CA-C 109.134 -0.691 . . . . 3.36 109.134 173.226 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.431 HD12 HG23 ' A' ' 8' ' ' VAL . 3.8 mm? -51.29 -36.91 44.68 Favored 'General case' 0 N--CA 1.484 1.27 0 N-CA-C 114.659 1.355 . . . . 1.64 114.659 -172.83 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -85.0 10.96 10.46 Favored 'General case' 0 C--N 1.304 -1.376 0 N-CA-C 112.939 0.718 . . . . 2.47 112.939 -176.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.483 ' HD2' ' HB3' ' A' ' 35' ' ' ASP . 74.9 mmtt -98.17 140.97 31.69 Favored 'General case' 0 C--N 1.309 -1.182 0 O-C-N 122.268 -0.27 . . . . 1.67 110.655 179.138 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.656 ' OG ' ' HB2' ' A' ' 34' ' ' ASP . 8.7 p -113.89 163.77 14.65 Favored 'General case' 0 C--N 1.295 -1.793 0 N-CA-C 107.808 -1.182 . . . . 1.72 107.808 175.232 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.446 ' O ' ' HB2' ' A' ' 36' ' ' LEU . 91.1 m-85 -74.02 -39.64 63.44 Favored 'General case' 0 N--CA 1.445 -0.689 0 N-CA-C 113.396 0.888 . . . . 1.03 113.396 -170.392 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.572 HG21 ' HB3' ' A' ' 40' ' ' SER . 8.9 t -128.42 30.66 5.14 Favored 'General case' 0 C--N 1.298 -1.656 0 CA-C-O 122.885 1.326 . . . . 1.85 111.594 -175.771 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.656 ' HB2' ' OG ' ' A' ' 31' ' ' SER . 2.8 m-20 -126.94 -61.72 1.16 Allowed 'General case' 0 C--N 1.298 -1.636 0 CA-C-N 114.788 -1.097 . . . . 2.31 108.139 174.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.483 ' HB3' ' HD2' ' A' ' 30' ' ' LYS . 2.8 m-20 -80.9 -39.75 25.79 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 116.316 -0.402 . . . . 1.67 110.793 174.296 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.446 ' HB2' ' O ' ' A' ' 32' ' ' PHE . 77.4 mt -90.93 177.97 6.15 Favored 'General case' 0 N--CA 1.43 -1.464 0 C-N-CA 120.25 -0.58 . . . . 1.23 109.504 -179.059 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -124.3 72.48 1.19 Allowed 'General case' 0 C--N 1.294 -1.842 0 N-CA-C 106.416 -1.698 . . . . 2.15 106.416 -178.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 48.6 t -131.46 113.72 23.96 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.702 0 CA-C-N 113.411 -1.722 . . . . 2.86 107.865 -173.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -49.41 125.09 10.44 Favored 'General case' 0 CA--C 1.51 -0.589 0 O-C-N 124.236 0.96 . . . . 2.96 109.533 176.583 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.572 ' HB3' HG21 ' A' ' 33' ' ' THR . 78.6 p -72.22 -35.58 68.93 Favored 'General case' 0 C--N 1.279 -2.477 0 CA-C-N 115.008 -0.996 . . . . 1.56 112.064 -172.737 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.7 mp -64.83 -30.06 71.05 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.036 -1.098 . . . . 1.81 108.036 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 27.6 m -80.41 -15.3 57.15 Favored 'General case' 0 N--CA 1.434 -1.25 0 CA-C-N 114.106 -1.407 . . . . 1.5 111.692 179.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 30.4 ttp -67.73 -22.16 65.26 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-O 121.291 0.567 . . . . 1.2 110.341 -177.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.502 ' HA ' HG12 ' A' ' 47' ' ' VAL . 59.2 t -54.1 -40.2 45.25 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.468 0 CA-C-N 115.597 -0.729 . . . . 1.3 109.779 177.595 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -66.5 -29.89 70.1 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.93 -0.577 . . . . 2.06 111.97 -178.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.861 HG21 ' HB ' ' A' ' 14' ' ' ILE . 7.4 p -86.7 -37.05 10.97 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.838 0 C-N-CA 120.21 -0.596 . . . . 2.03 111.692 178.65 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.502 HG12 ' HA ' ' A' ' 44' ' ' VAL . 13.8 p -64.8 -39.9 87.22 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.705 0 C-N-CA 120.16 -0.616 . . . . 1.22 111.626 -178.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 12.4 p -69.84 -22.89 25.14 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.936 0 CA-C-O 121.676 0.751 . . . . 1.35 110.599 179.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -86.22 -29.16 23.38 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 121.712 0.768 . . . . 1.09 109.752 178.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.61 -32.92 73.14 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 115.427 -0.806 . . . . 1.07 111.287 -178.3 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -53.6 -59.34 4.72 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.578 0.704 . . . . 0.8 109.766 178.22 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -69.8 -36.0 75.32 Favored 'General case' 0 C--N 1.296 -1.732 0 CA-C-N 115.33 -0.85 . . . . 0.96 113.084 -177.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.6 -38.51 84.09 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.005 0.431 . . . . 4.41 110.211 -176.355 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.433 ' HZ ' ' C ' ' A' ' 10' ' ' GLY . 61.8 m-85 -103.88 14.71 30.27 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 112.86 0.689 . . . . 0.49 112.86 -174.702 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 58.82 49.55 9.79 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 124.143 0.902 . . . . 1.95 110.422 178.06 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.73 HG23 ' H ' ' A' ' 57' ' ' LYS . 7.5 p -141.25 -169.76 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.295 -1.796 0 N-CA-C 109.458 -0.571 . . . . 1.96 109.458 -177.428 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.73 ' H ' HG23 ' A' ' 56' ' ' VAL . 5.4 tmtm? -146.28 133.3 20.29 Favored 'General case' 0 C--N 1.294 -1.842 0 N-CA-C 103.963 -2.606 . . . . 3.77 103.963 176.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.493 ' N ' ' HD3' ' A' ' 57' ' ' LYS . 43.5 mt -130.52 98.07 20.82 Favored Pre-proline 0 C--N 1.303 -1.424 0 N-CA-C 108.655 -0.868 . . . . 1.24 108.655 -177.808 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.451 ' HD2' ' HA ' ' A' ' 58' ' ' ILE . 17.8 Cg_endo -61.16 131.15 35.26 Favored 'Trans proline' 0 N--CA 1.457 -0.675 0 C-N-CA 122.875 2.384 . . . . 0.79 111.024 179.029 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -52.82 -32.61 45.14 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.866 0.867 . . . . 2.3 112.666 -177.255 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -65.96 -34.2 77.57 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-O 120.876 0.37 . . . . 2.38 111.252 178.371 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -86.53 -23.01 26.03 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.644 -0.502 . . . . 1.52 109.644 -175.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 59' ' ' PRO . 81.2 t -54.98 -58.53 3.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 CA-C-N 115.168 -0.924 . . . . 1.42 109.595 175.522 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 57.0 mttp -61.32 -16.18 43.28 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 116.049 -0.523 . . . . 1.93 112.111 -178.009 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -85.0 -23.09 28.82 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-O 120.671 0.272 . . . . 2.65 110.844 -176.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.561 HD11 ' HA ' ' A' ' 72' ' ' ALA . 77.3 mt -91.16 -176.05 4.47 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.799 -0.445 . . . . 1.24 109.799 -179.456 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.513 ' HE3' ' HB2' ' A' ' 67' ' ' LYS . 17.7 ptmt -148.27 -67.38 0.24 Allowed 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 115.584 1.698 . . . . 3.26 115.584 178.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.426 HG22 ' HB3' ' A' ' 31' ' ' SER . 65.0 p -87.03 176.5 7.6 Favored 'General case' 0 N--CA 1.44 -0.94 0 N-CA-C 109.682 -0.488 . . . . 1.17 109.682 -176.629 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 22.3 m -79.08 -19.14 12.92 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.275 0 C-N-CA 120.393 -0.523 . . . . 1.35 109.814 177.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -80.1 -30.38 42.48 Favored Glycine 0 N--CA 1.444 -0.795 0 N-CA-C 110.066 -1.214 . . . . 0.46 110.066 174.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -76.52 -31.54 57.71 Favored 'General case' 0 C--N 1.311 -1.078 0 N-CA-C 108.35 -0.981 . . . . 1.62 108.35 176.017 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.561 ' HA ' HD11 ' A' ' 66' ' ' LEU . . . -73.92 -48.02 33.65 Favored 'General case' 0 CA--C 1.505 -0.758 0 CA-C-N 114.816 -1.084 . . . . 1.21 111.636 -178.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 13.2 p -61.17 -23.15 65.36 Favored 'General case' 0 N--CA 1.436 -1.151 0 N-CA-C 113.042 0.756 . . . . 1.16 113.042 -177.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -70.1 -26.98 64.24 Favored 'General case' 0 C--N 1.319 -0.732 0 O-C-N 123.351 0.407 . . . . 4.01 110.133 -179.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 79.8 t80 -84.58 -47.34 10.65 Favored 'General case' 0 C--O 1.246 0.917 0 CA-C-O 121.671 0.748 . . . . 1.09 109.548 176.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.638 HG22 HG13 ' A' ' 56' ' ' VAL . 79.7 mt -57.15 -55.51 20.14 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.008 0 CA-C-N 114.703 -1.135 . . . . 1.26 110.316 -179.534 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 67.7 tp -65.9 -24.01 66.75 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 123.299 0.64 . . . . 2.3 111.55 -179.352 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 28.5 t70 . . . . . 0 C--N 1.321 -0.672 0 C-N-CA 120.742 -0.383 . . . . 1.32 111.523 179.843 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.499 -0.992 0 N-CA-C 110.241 -0.281 . . . . 1.46 110.241 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.613 ' O ' HG12 ' A' ' 7' ' ' ILE . 8.9 t -80.05 171.0 15.67 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 120.55 -0.46 . . . . 2.11 111.214 179.172 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.461 ' HG2' HD12 ' A' ' 28' ' ' LEU . 31.5 tt0 -57.52 -28.43 63.47 Favored 'General case' 0 N--CA 1.434 -1.269 0 C-N-CA 124.118 0.967 . . . . 2.34 109.844 179.335 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -71.95 -49.03 40.98 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 109.109 -0.7 . . . . 3.05 109.109 179.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.44 ' HG3' HG22 ' A' ' 3' ' ' THR . 45.2 mt-10 -65.46 -35.89 82.25 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 114.909 -1.041 . . . . 2.53 109.859 179.569 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.613 HG12 ' O ' ' A' ' 3' ' ' THR . 37.2 mm -59.12 -56.76 14.87 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.323 0 O-C-N 123.794 0.684 . . . . 1.16 109.583 179.401 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.452 ' HA ' HD13 ' A' ' 11' ' ' LEU . 88.3 t -56.04 -47.9 79.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 CA-C-N 115.995 -0.548 . . . . 1.22 110.465 179.594 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.27 -38.59 71.38 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 115.925 -0.579 . . . . 1.24 111.345 178.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -69.61 -39.59 78.23 Favored Glycine 0 C--O 1.227 -0.343 0 N-CA-C 111.089 -0.805 . . . . 0.38 111.089 179.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.452 HD13 ' HA ' ' A' ' 8' ' ' VAL . 96.6 mt -58.25 -46.22 86.37 Favored 'General case' 0 C--O 1.24 0.58 0 CA-C-O 121.407 0.623 . . . . 1.12 109.973 178.34 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.5 -23.66 67.49 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 114.988 -1.005 . . . . 1.1 112.648 -178.139 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -64.28 -47.3 80.05 Favored 'General case' 0 CA--C 1.509 -0.624 0 N-CA-C 109.72 -0.474 . . . . 2.48 109.72 178.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.81 ' HB ' HG22 ' A' ' 46' ' ' VAL . 3.6 mp -79.42 -30.88 13.97 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.631 0 C-N-CA 119.53 -0.868 . . . . 1.14 109.572 179.396 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 59.0 t -65.58 -23.38 32.57 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.276 0 O-C-N 121.197 -0.94 . . . . 1.11 110.564 176.295 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -68.71 -39.98 80.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 122.012 -0.43 . . . . 0.95 109.995 176.062 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.409 ' HG2' ' HA ' ' A' ' 14' ' ' ILE . 12.5 pt-20 -80.99 -28.76 35.41 Favored 'General case' 0 C--N 1.318 -0.798 0 C-N-CA 120.545 -0.462 . . . . 2.11 111.062 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.581 HG13 ' HB ' ' A' ' 46' ' ' VAL . 46.5 mm -76.3 -53.8 14.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.889 0.376 . . . . 1.33 110.251 178.67 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -110.36 -56.8 2.29 Favored 'General case' 0 C--N 1.305 -1.333 0 CA-C-N 116.179 -0.464 . . . . 1.22 111.092 -175.148 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 113.81 80.33 0.95 Allowed Glycine 0 C--N 1.3 -1.444 0 C-N-CA 119.917 -1.135 . . . . 0.93 111.715 -177.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.413 ' O ' HD12 ' A' ' 21' ' ' ILE . 1.9 pp -139.34 150.22 63.35 Favored Pre-proline 0 C--N 1.3 -1.566 0 C-N-CA 123.442 0.697 . . . . 1.31 109.274 178.297 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -64.77 141.42 71.93 Favored 'Trans proline' 0 N--CA 1.45 -1.069 0 C-N-CA 121.731 1.621 . . . . 0.86 109.507 176.088 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 35.6 m -72.32 6.86 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.348 0 N-CA-C 113.558 0.947 . . . . 2.05 113.558 -177.246 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -112.97 -10.33 13.52 Favored 'General case' 0 N--CA 1.437 -1.115 0 CA-C-N 115.668 -0.696 . . . . 2.03 109.493 176.282 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -76.31 -34.01 59.05 Favored 'General case' 0 C--O 1.243 0.757 0 CA-C-O 121.851 0.834 . . . . 1.07 109.619 -177.518 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.478 HG22 HD23 ' A' ' 36' ' ' LEU . 24.5 t -79.42 92.3 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.447 0 CA-C-N 114.285 -1.325 . . . . 1.46 108.327 -179.652 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.527 ' H ' ' HG3' ' A' ' 30' ' ' LYS . 63.2 mttp -99.87 -177.93 3.7 Favored 'General case' 0 C--N 1.296 -1.721 0 N-CA-C 108.114 -1.069 . . . . 3.36 108.114 175.56 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.461 HD12 ' HG2' ' A' ' 4' ' ' GLN . 4.1 mm? -60.26 -42.03 94.47 Favored 'General case' 0 C--O 1.245 0.856 0 N-CA-C 115.35 1.611 . . . . 1.64 115.35 -171.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -99.6 64.18 1.28 Allowed 'General case' 0 C--N 1.299 -1.587 0 C-N-CA 118.175 -1.41 . . . . 2.47 110.71 -178.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.527 ' HG3' ' H ' ' A' ' 27' ' ' LYS . 27.4 mmmt -132.41 123.36 26.56 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 113.843 -1.526 . . . . 1.67 107.502 177.166 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.67 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 50.5 p -95.86 156.55 16.28 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 109.047 -0.723 . . . . 1.72 109.047 177.345 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.631 ' HA ' HD12 ' A' ' 36' ' ' LEU . 95.1 m-85 -75.2 28.47 0.09 Allowed 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 124.326 1.05 . . . . 1.03 113.076 -173.856 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.0 t -165.94 -56.96 0.03 OUTLIER 'General case' 0 N--CA 1.44 -0.974 0 N-CA-C 112.028 0.381 . . . . 1.85 112.028 -178.418 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -75.19 -41.45 57.88 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-O 121.136 0.493 . . . . 2.31 111.218 -175.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.497 ' HB3' ' HD2' ' A' ' 30' ' ' LYS . 9.4 m-20 -90.9 -47.89 7.33 Favored 'General case' 0 C--N 1.308 -1.213 0 CA-C-N 116.171 -0.468 . . . . 1.67 110.245 179.139 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.631 HD12 ' HA ' ' A' ' 32' ' ' PHE . 37.5 mt -72.33 156.35 39.19 Favored 'General case' 0 N--CA 1.436 -1.15 0 CA-C-N 115.86 -0.609 . . . . 1.23 112.05 -177.324 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -91.62 66.68 5.36 Favored 'General case' 0 CA--C 1.487 -1.466 0 N-CA-C 106.786 -1.561 . . . . 2.15 106.786 178.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.441 HG21 ' HB3' ' A' ' 36' ' ' LEU . 48.8 t -136.91 131.81 46.96 Favored 'Isoleucine or valine' 0 C--N 1.276 -2.6 0 CA-C-N 113.069 -1.878 . . . . 2.86 106.733 -179.022 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -41.52 -71.63 0.08 Allowed 'General case' 0 N--CA 1.477 0.878 0 O-C-N 124.646 1.216 . . . . 2.96 108.592 170.063 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.404 ' OG ' HD12 ' A' ' 41' ' ' LEU . 88.6 p 151.39 -48.76 0.01 OUTLIER 'General case' 0 CA--C 1.475 -1.915 0 C-N-CA 127.163 2.185 . . . . 1.56 109.389 167.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.404 HD12 ' OG ' ' A' ' 40' ' ' SER . 6.7 mp -63.14 -21.43 66.19 Favored 'General case' 0 C--O 1.212 -0.88 0 CA-C-O 121.569 0.7 . . . . 1.81 110.015 -176.552 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.7 m -68.76 -19.34 64.32 Favored 'General case' 0 CA--C 1.558 1.278 0 C-N-CA 124.238 1.015 . . . . 1.5 111.53 176.585 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.427 ' O ' HG12 ' A' ' 46' ' ' VAL . 9.6 tmm? -66.14 -24.76 66.72 Favored 'General case' 0 C--O 1.216 -0.679 0 CA-C-O 121.109 0.48 . . . . 1.2 110.183 -178.452 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.422 ' HA ' HG12 ' A' ' 47' ' ' VAL . 47.0 t -56.75 -33.64 41.26 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.198 0 CA-C-O 121.078 0.466 . . . . 1.3 110.674 179.319 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -73.54 -28.41 61.86 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 116.3 -0.409 . . . . 2.06 112.055 177.093 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.81 HG22 ' HB ' ' A' ' 14' ' ' ILE . 11.4 p -83.14 -36.67 13.06 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.549 0 C-N-CA 119.97 -0.692 . . . . 2.03 111.264 178.757 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.422 HG12 ' HA ' ' A' ' 44' ' ' VAL . 13.5 p -63.21 -41.29 92.24 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.738 0 C-N-CA 120.651 -0.419 . . . . 1.22 111.788 -179.422 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 13.2 p -71.56 -21.97 21.71 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.904 0 CA-C-O 121.771 0.796 . . . . 1.35 110.66 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.421 ' O ' ' HG2' ' A' ' 53' ' ' ARG . . . -86.16 -29.52 23.18 Favored 'General case' 0 N--CA 1.442 -0.841 0 CA-C-O 121.433 0.635 . . . . 1.09 109.814 178.456 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.63 -25.03 63.74 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 116.163 -0.471 . . . . 1.07 111.217 -178.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.468 ' HA ' HG23 ' A' ' 56' ' ' VAL . 43.9 mt-10 -57.38 -46.92 82.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.511 -0.313 . . . . 0.8 110.736 179.415 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -74.13 -36.32 64.16 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.136 0.493 . . . . 0.96 110.173 178.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.543 ' HG3' HD11 ' A' ' 14' ' ' ILE . 30.0 mmm180 -71.18 -24.8 62.3 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.943 0.72 . . . . 4.41 112.943 -173.572 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -116.43 10.1 14.54 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 112.458 0.54 . . . . 0.49 112.458 -179.082 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 60.22 41.94 15.97 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 123.7 0.625 . . . . 1.95 110.361 179.278 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.468 HG23 ' HA ' ' A' ' 51' ' ' GLU . 31.3 m -127.07 -171.25 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.023 0 CA-C-N 116.002 -0.545 . . . . 1.96 111.003 -177.66 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 42.7 tptt -155.79 125.34 6.34 Favored 'General case' 0 N--CA 1.428 -1.567 0 N-CA-C 104.24 -2.504 . . . . 3.77 104.24 173.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 60.1 mt -121.17 116.01 31.29 Favored Pre-proline 0 C--N 1.308 -1.203 0 C-N-CA 120.889 -0.324 . . . . 1.24 110.99 -171.394 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.417 ' O ' HG23 ' A' ' 63' ' ' VAL . 26.3 Cg_exo -63.96 135.31 47.19 Favored 'Trans proline' 0 C--O 1.24 0.592 0 C-N-CA 123.245 2.63 . . . . 0.79 111.226 179.202 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -58.57 -33.15 69.61 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 112.884 0.698 . . . . 2.3 112.884 -175.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -65.95 -30.56 71.15 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 116.349 -0.387 . . . . 2.38 110.061 179.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.415 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 5.6 t70 -85.05 -30.72 23.88 Favored 'General case' 0 N--CA 1.438 -1.029 0 N-CA-C 109.337 -0.616 . . . . 1.52 109.337 -175.318 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 59' ' ' PRO . 88.3 t -52.93 -60.79 1.01 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.363 0 CA-C-N 114.885 -1.052 . . . . 1.42 109.302 175.263 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -66.71 -7.79 23.39 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 112.809 0.67 . . . . 1.93 112.809 -178.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -87.9 -25.7 23.11 Favored 'General case' 0 C--N 1.305 -1.327 0 CA-C-O 120.907 0.384 . . . . 2.65 111.154 -179.497 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.536 HD12 ' HA ' ' A' ' 72' ' ' ALA . 79.7 mt -82.96 176.39 9.31 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 116.158 -0.474 . . . . 1.24 110.699 -176.376 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -135.4 -71.21 0.48 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.196 0.522 . . . . 3.26 111.992 -176.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.67 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 67.4 p -96.62 179.1 5.11 Favored 'General case' 0 N--CA 1.429 -1.48 0 CA-C-N 116.355 -0.384 . . . . 1.17 110.702 -177.29 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.503 HG13 ' CZ ' ' A' ' 32' ' ' PHE . 32.1 m -74.75 -17.81 16.45 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.108 0 N-CA-C 109.571 -0.529 . . . . 1.35 109.571 175.41 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -69.85 -32.69 70.23 Favored Glycine 0 N--CA 1.436 -1.306 0 N-CA-C 110.064 -1.214 . . . . 0.46 110.064 174.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -77.89 -37.55 47.76 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.98 -0.748 . . . . 1.62 108.98 177.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.536 ' HA ' HD12 ' A' ' 66' ' ' LEU . . . -65.92 -45.97 79.98 Favored 'General case' 0 CA--C 1.507 -0.701 0 CA-C-N 114.855 -1.066 . . . . 1.21 111.336 -176.603 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.654 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 17.3 p -59.0 -39.6 82.34 Favored 'General case' 0 N--CA 1.432 -1.339 0 CA-C-N 115.548 -0.751 . . . . 1.16 112.411 -178.194 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 60.5 tttm -60.65 -33.97 73.59 Favored 'General case' 0 CA--C 1.533 0.298 0 O-C-N 123.622 0.576 . . . . 4.01 110.577 -178.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -77.23 -48.5 17.37 Favored 'General case' 0 C--O 1.241 0.62 0 CA-C-O 121.355 0.598 . . . . 1.09 109.893 176.347 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.41 HG13 ' O ' ' A' ' 72' ' ' ALA . 83.1 mt -57.97 -56.84 13.39 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.95 0 CA-C-N 115.703 -0.68 . . . . 1.26 111.891 -175.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.654 ' HG ' ' O ' ' A' ' 73' ' ' THR . 2.9 pp -62.68 -21.28 65.62 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.666 0.617 . . . . 2.3 112.666 -178.714 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 28.1 t70 . . . . . 0 C--N 1.307 -1.26 0 CA-C-N 115.608 -0.724 . . . . 1.32 110.371 178.336 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . 0.447 ' HB2' ' HB2' ' A' ' 6' ' ' GLU . . . . . . . . 0 N--CA 1.435 -1.199 0 N-CA-C 109.345 -0.613 . . . . 1.46 109.345 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.553 ' O ' HG12 ' A' ' 7' ' ' ILE . 4.7 m -97.37 175.83 6.11 Favored 'General case' 0 C--N 1.307 -1.273 0 CA-C-O 119.009 -0.52 . . . . 2.11 110.014 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.475 ' O ' HG23 ' A' ' 8' ' ' VAL . 61.1 tt0 -39.76 -57.64 1.5 Allowed 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 116.003 1.853 . . . . 2.34 116.003 -172.039 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -74.09 -34.25 63.91 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 119.002 -1.079 . . . . 3.05 111.699 -175.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.447 ' HB2' ' HB2' ' A' ' 2' ' ' ALA . 56.4 mm-40 -65.9 -33.75 76.54 Favored 'General case' 0 N--CA 1.457 -0.12 0 N-CA-C 109.112 -0.699 . . . . 2.53 109.112 176.25 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.553 HG12 ' O ' ' A' ' 3' ' ' THR . 32.1 mm -62.46 -54.64 31.36 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.665 0 CA-C-N 115.435 -0.802 . . . . 1.16 109.546 175.509 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 4' ' ' GLN . 42.6 t -55.33 -48.56 76.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 N-CA-C 110.087 -0.338 . . . . 1.22 110.087 179.669 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.415 ' O ' ' HG3' ' A' ' 13' ' ' GLU . . . -60.48 -36.25 77.86 Favored 'General case' 0 C--O 1.22 -0.484 0 CA-C-N 115.912 -0.585 . . . . 1.24 110.828 178.733 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.464 ' HA2' ' OE2' ' A' ' 13' ' ' GLU . . . -66.88 -38.56 93.0 Favored Glycine 0 CA--C 1.505 -0.571 0 N-CA-C 111.216 -0.754 . . . . 0.38 111.216 179.11 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.46 HD12 ' HA ' ' A' ' 8' ' ' VAL . 89.8 mt -60.33 -46.96 88.05 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 108.599 -0.889 . . . . 1.12 108.599 176.052 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.83 -24.96 67.01 Favored 'General case' 0 N--CA 1.439 -1.023 0 CA-C-N 114.966 -1.016 . . . . 1.1 112.156 -179.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.464 ' OE2' ' HA2' ' A' ' 10' ' ' GLY . 49.4 mt-10 -57.86 -47.23 83.31 Favored 'General case' 0 CA--C 1.508 -0.641 0 CA-C-O 121.12 0.486 . . . . 2.48 109.764 177.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.919 ' HB ' HG23 ' A' ' 46' ' ' VAL . 3.6 mp -84.72 -36.36 11.37 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.575 0 C-N-CA 119.47 -0.892 . . . . 1.14 110.184 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.496 HG21 HG11 ' A' ' 46' ' ' VAL . 61.0 t -61.43 -23.26 29.99 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.408 0 CA-C-O 122.127 0.965 . . . . 1.11 110.786 178.431 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -66.29 -41.12 90.24 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.716 -0.674 . . . . 0.95 111.652 175.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -82.85 -31.6 27.94 Favored 'General case' 0 C--N 1.309 -1.154 0 C-N-CA 119.947 -0.701 . . . . 2.11 110.836 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.514 HG12 ' O ' ' A' ' 14' ' ' ILE . 50.0 mm -71.34 -53.67 20.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.034 -0.53 . . . . 1.33 110.029 179.134 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -102.91 -60.87 1.48 Allowed 'General case' 0 C--N 1.306 -1.285 0 CA-C-N 115.817 -0.628 . . . . 1.22 110.925 -176.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 132.59 8.4 2.51 Favored Glycine 0 C--N 1.312 -0.771 0 C-N-CA 119.334 -1.412 . . . . 0.93 113.875 -178.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.413 ' HA ' ' HD3' ' A' ' 22' ' ' PRO . 2.3 pp -74.28 148.82 86.49 Favored Pre-proline 0 C--N 1.318 -0.776 0 N-CA-C 112.555 0.576 . . . . 1.31 112.555 179.572 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 21' ' ' ILE . 33.7 Cg_exo -63.28 139.62 72.76 Favored 'Trans proline' 0 C--O 1.247 0.936 0 C-N-CA 122.479 2.12 . . . . 0.86 111.013 176.195 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 26.9 m -72.78 18.09 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 N-CA-C 113.35 0.87 . . . . 2.05 113.35 -178.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.412 ' H ' ' C ' ' A' ' 22' ' ' PRO . 11.4 pt-20 -137.24 2.59 2.54 Favored 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 108.803 -0.814 . . . . 2.03 108.803 178.311 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -89.79 -35.99 15.39 Favored 'General case' 0 CA--C 1.502 -0.89 0 CA-C-O 122.115 0.959 . . . . 1.07 108.828 -178.131 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.494 ' HA ' ' HG3' ' A' ' 30' ' ' LYS . 60.3 t -78.99 98.7 2.88 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.489 0 CA-C-N 114.345 -1.298 . . . . 1.46 108.232 177.257 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -111.98 -167.08 1.14 Allowed 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 107.714 -1.217 . . . . 3.36 107.714 174.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.432 HD13 ' HA ' ' A' ' 28' ' ' LEU 0.275 4.2 mm? -59.67 -33.12 71.14 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 117.012 2.227 . . . . 1.64 117.012 -172.514 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -91.8 69.71 5.59 Favored 'General case' 0 C--N 1.302 -1.458 0 CA-C-O 121.991 0.9 . . . . 2.47 111.291 178.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.522 ' HD2' HD21 ' A' ' 36' ' ' LEU . 34.7 mmtm -140.84 136.95 32.9 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-N 114.288 -1.324 . . . . 1.67 110.99 179.538 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.482 ' H ' ' HB3' ' A' ' 35' ' ' ASP . 52.0 p -118.26 157.19 27.49 Favored 'General case' 0 C--N 1.306 -1.307 0 N-CA-C 107.434 -1.321 . . . . 1.72 107.434 171.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.567 ' CZ ' HG12 ' A' ' 69' ' ' VAL . 83.8 m-85 -85.5 30.94 0.6 Allowed 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 113.545 0.943 . . . . 1.03 113.545 -169.495 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.543 ' HA ' ' O ' ' A' ' 38' ' ' VAL . 4.4 t -175.65 -54.68 0.01 OUTLIER 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 116.506 -0.315 . . . . 1.85 111.289 177.52 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -69.54 -47.18 64.59 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 112.148 0.425 . . . . 2.31 112.148 -175.119 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.506 ' OD2' ' HD3' ' A' ' 30' ' ' LYS . 17.8 t70 -83.34 -40.77 19.02 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.21 0.529 . . . . 1.67 110.314 179.47 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.522 HD21 ' HD2' ' A' ' 30' ' ' LYS . 67.8 mt -82.69 -171.63 3.61 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-N 115.936 -0.575 . . . . 1.23 111.775 -178.641 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -117.45 1.91 12.38 Favored 'General case' 0 C--N 1.31 -1.152 0 CA-C-O 121.957 0.884 . . . . 2.15 109.154 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.543 ' O ' ' HA ' ' A' ' 33' ' ' THR . 7.6 p -89.28 126.25 42.26 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.574 0 N-CA-C 106.794 -1.558 . . . . 2.86 106.794 175.756 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -74.34 164.09 27.01 Favored 'General case' 0 C--N 1.301 -1.507 0 C-N-CA 120.519 -0.473 . . . . 2.96 111.761 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.444 ' O ' HG23 ' A' ' 44' ' ' VAL . 33.8 p -66.88 -43.67 82.9 Favored 'General case' 0 C--N 1.298 -1.647 0 CA-C-N 115.685 -0.689 . . . . 1.56 110.226 -179.706 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.8 mp -61.83 -23.85 66.52 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-O 121.816 0.817 . . . . 1.81 109.638 177.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 46.8 t -84.12 -37.95 21.33 Favored 'General case' 0 N--CA 1.429 -1.512 0 CA-C-N 115.056 -0.975 . . . . 1.5 109.733 178.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.441 ' O ' ' HG2' ' A' ' 43' ' ' MET . 35.5 ttp -59.74 -23.24 63.04 Favored 'General case' 0 C--N 1.359 1.011 0 CA-C-O 121.28 0.562 . . . . 1.2 110.457 177.691 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.475 ' HA ' HG11 ' A' ' 47' ' ' VAL . 57.7 t -56.47 -24.06 18.02 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.349 0 C-N-CA 123.101 0.56 . . . . 1.3 111.473 178.477 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 -78.94 -38.07 38.14 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.999 0.428 . . . . 2.06 111.039 177.173 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.919 HG23 ' HB ' ' A' ' 14' ' ' ILE . 3.6 p -84.47 -32.99 8.27 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.792 0 N-CA-C 113.006 0.743 . . . . 2.03 113.006 -178.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.475 HG11 ' HA ' ' A' ' 44' ' ' VAL . 13.9 p -61.41 -40.25 85.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 O-C-N 122.212 -0.305 . . . . 1.22 111.714 -177.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 14.9 p -70.12 -31.77 48.66 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.765 0 CA-C-O 121.473 0.654 . . . . 1.35 110.121 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.69 -17.95 46.15 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.548 -0.751 . . . . 1.09 110.277 -179.342 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.63 -29.97 63.92 Favored 'General case' 0 C--N 1.31 -1.139 0 CA-C-N 116.197 -0.456 . . . . 1.07 110.046 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.455 ' HA ' HG22 ' A' ' 56' ' ' VAL . 42.2 mt-10 -58.57 -49.89 75.79 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 115.93 -0.577 . . . . 0.8 111.023 179.671 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -68.96 -42.96 75.93 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.137 -0.483 . . . . 0.96 111.25 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.713 ' HG3' HD12 ' A' ' 14' ' ' ILE . 27.3 mmt180 -62.58 -39.9 95.17 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 112.852 0.686 . . . . 4.41 112.852 -177.828 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -101.95 -4.69 25.71 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 113.752 1.019 . . . . 0.49 113.752 -175.077 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 70.64 46.15 0.55 Allowed 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 123.322 0.649 . . . . 1.95 109.779 -178.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.455 HG22 ' HA ' ' A' ' 51' ' ' GLU . 17.3 m -126.06 -174.26 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.507 0.67 . . . . 1.96 112.338 -178.344 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -139.51 123.13 17.38 Favored 'General case' 0 N--CA 1.43 -1.426 0 N-CA-C 105.984 -1.858 . . . . 3.77 105.984 174.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 38.4 mt -129.67 100.36 19.64 Favored Pre-proline 0 C--N 1.304 -1.401 0 N-CA-C 108.82 -0.808 . . . . 1.24 108.82 -177.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.538 ' O ' HG23 ' A' ' 63' ' ' VAL . 16.9 Cg_exo -70.84 149.51 60.09 Favored 'Trans proline' 0 C--O 1.235 0.363 0 C-N-CA 123.316 2.677 . . . . 0.79 111.989 178.624 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -53.18 -41.53 65.32 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 124.719 1.207 . . . . 2.3 112.075 -176.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -73.58 -34.26 65.02 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 120.707 0.289 . . . . 2.38 110.958 -178.642 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -71.88 -32.97 67.98 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.848 -0.615 . . . . 1.52 109.461 -175.084 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 59' ' ' PRO . 86.8 t -51.75 -47.15 39.6 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 CA-C-N 115.427 -0.806 . . . . 1.42 110.115 176.039 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -67.78 -5.04 14.35 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 115.443 -0.798 . . . . 1.93 112.422 -176.518 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -94.59 -10.14 32.94 Favored 'General case' 0 C--N 1.317 -0.834 0 O-C-N 121.975 -0.453 . . . . 2.65 110.546 -177.147 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.526 HD11 ' HA ' ' A' ' 72' ' ' ALA . 83.8 mt -101.97 -177.55 3.45 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 108.743 -0.836 . . . . 1.24 108.743 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.9 ptpp? -146.58 -52.75 0.23 Allowed 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 119.558 -0.857 . . . . 3.26 112.943 -178.067 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 71.6 p -112.74 -176.41 2.9 Favored 'General case' 0 C--O 1.247 0.946 0 O-C-N 121.662 -0.649 . . . . 1.17 109.871 179.285 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.567 HG12 ' CZ ' ' A' ' 32' ' ' PHE . 33.5 m -76.01 -14.03 15.01 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.09 0 N-CA-C 109.392 -0.595 . . . . 1.35 109.392 174.595 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.4 ' O ' ' HG2' ' A' ' 74' ' ' LYS . . . -72.08 -33.13 62.52 Favored Glycine 0 N--CA 1.437 -1.266 0 N-CA-C 110.23 -1.148 . . . . 0.46 110.23 176.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -80.21 -40.18 27.65 Favored 'General case' 0 CA--C 1.503 -0.838 0 N-CA-C 108.623 -0.88 . . . . 1.62 108.623 178.236 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.526 ' HA ' HD11 ' A' ' 66' ' ' LEU . . . -61.36 -46.84 88.52 Favored 'General case' 0 CA--C 1.501 -0.932 0 CA-C-N 114.557 -1.202 . . . . 1.21 110.615 -176.017 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.57 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 6.5 p -55.04 -45.95 75.27 Favored 'General case' 0 N--CA 1.44 -0.959 0 O-C-N 123.903 0.752 . . . . 1.16 112.061 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.4 ' HG2' ' O ' ' A' ' 70' ' ' GLY . 42.0 mmtm -59.26 -47.96 83.4 Favored 'General case' 0 C--O 1.219 -0.534 0 O-C-N 123.905 0.753 . . . . 4.01 110.417 -179.791 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -65.76 -42.46 90.86 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 123.629 0.581 . . . . 1.09 111.877 -178.093 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 89.2 mt -62.18 -65.01 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.309 -1.18 0 CA-C-O 119.021 -0.514 . . . . 1.26 111.172 -177.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.57 ' HG ' ' O ' ' A' ' 73' ' ' THR 0.271 1.8 pp -57.27 -21.11 32.2 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 113.194 0.813 . . . . 2.3 113.194 177.677 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.5 t70 . . . . . 0 N--CA 1.473 0.687 0 CA-C-N 115.86 -0.609 . . . . 1.32 110.622 174.395 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.736 0 N-CA-C 108.425 -0.954 . . . . 1.46 108.425 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.534 ' O ' HG12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -93.83 -167.26 1.65 Allowed 'General case' 0 C--N 1.299 -1.617 0 C-N-CA 118.852 -1.139 . . . . 2.11 110.952 -177.682 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -53.66 -49.87 67.03 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 113.709 1.003 . . . . 2.34 113.709 -169.04 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -61.37 -39.88 92.26 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 123.162 0.289 . . . . 3.05 111.231 -179.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -73.06 -32.27 64.93 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.831 -0.622 . . . . 2.53 110.083 -177.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.534 HG12 ' O ' ' A' ' 3' ' ' THR . 38.1 mm -61.77 -59.1 4.84 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.838 0 N-CA-C 108.293 -1.002 . . . . 1.16 108.293 175.413 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 91.5 t -53.79 -52.89 30.69 Favored 'Isoleucine or valine' 0 C--O 1.242 0.688 0 C-N-CA 123.604 0.762 . . . . 1.22 110.84 179.32 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.49 -39.84 77.31 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 116.097 -0.501 . . . . 1.24 111.143 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.85 -41.54 88.13 Favored Glycine 0 N--CA 1.437 -1.255 0 N-CA-C 110.944 -0.863 . . . . 0.38 110.944 -179.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.508 ' O ' HG23 ' A' ' 15' ' ' VAL . 96.5 mt -56.8 -48.69 77.36 Favored 'General case' 0 CA--C 1.503 -0.858 0 C-N-CA 123.088 0.555 . . . . 1.12 109.584 177.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.33 -27.81 62.55 Favored 'General case' 0 C--O 1.207 -1.141 0 CA-C-N 115.125 -0.943 . . . . 1.1 112.708 -178.088 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -68.0 -38.76 83.01 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 120.99 -0.284 . . . . 2.48 111.542 178.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.59 ' HB ' HG23 ' A' ' 46' ' ' VAL . 3.9 mp -82.55 -27.32 8.61 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.99 0 C-N-CA 119.561 -0.856 . . . . 1.14 109.004 176.309 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 11' ' ' LEU . 47.8 t -69.16 -26.84 32.92 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.014 0 CA-C-O 121.648 0.737 . . . . 1.11 109.334 175.726 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -72.91 -31.67 64.81 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 123.409 0.684 . . . . 0.95 109.696 173.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -68.49 -38.63 81.16 Favored 'General case' 0 C--N 1.308 -1.205 0 N-CA-C 108.719 -0.845 . . . . 2.11 108.719 178.102 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.418 HG12 ' O ' ' A' ' 14' ' ' ILE . 49.1 mm -83.66 -52.4 12.98 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.923 0 CA-C-N 114.897 -1.047 . . . . 1.33 112.407 -177.362 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.467 ' HB3' ' HB3' ' A' ' 37' ' ' ASP . . . -116.5 -1.98 12.11 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 114.138 1.162 . . . . 1.22 114.138 -172.718 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.02 27.68 73.61 Favored Glycine 0 C--N 1.31 -0.893 0 N-CA-C 115.048 0.779 . . . . 0.93 115.048 177.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.466 HD13 ' HB ' ' A' ' 15' ' ' VAL . 2.3 pp -80.16 151.53 72.87 Favored Pre-proline 0 C--N 1.32 -0.708 0 CA-C-N 117.758 0.779 . . . . 1.31 111.758 178.622 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.425 ' HG2' ' HB2' ' A' ' 25' ' ' ASP . 36.9 Cg_endo -71.11 144.71 47.6 Favored 'Trans proline' 0 N--CA 1.443 -1.483 0 C-N-CA 121.738 1.626 . . . . 0.86 110.232 173.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.1 m -79.98 8.06 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.313 -0.982 0 CA-C-O 121.587 0.708 . . . . 2.05 112.651 -175.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -100.76 -17.22 17.03 Favored 'General case' 0 C--N 1.308 -1.231 0 N-CA-C 108.43 -0.952 . . . . 2.03 108.43 178.153 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.661 ' O ' ' HE3' ' A' ' 30' ' ' LYS . 19.9 t70 -77.06 -44.16 31.71 Favored 'General case' 0 CA--C 1.505 -0.775 0 CA-C-N 115.586 -0.734 . . . . 1.07 109.666 -176.565 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.584 ' HA ' ' HG3' ' A' ' 30' ' ' LYS . 40.6 t -70.48 94.9 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.151 0 CA-C-N 114.82 -1.082 . . . . 1.46 111.336 -177.29 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -107.03 -164.12 0.96 Allowed 'General case' 0 C--N 1.3 -1.577 0 CA-C-N 113.875 -1.511 . . . . 3.36 107.175 171.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 77.8 mt -74.92 -31.15 61.46 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 112.525 0.565 . . . . 1.64 112.525 -174.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -88.47 61.25 6.04 Favored 'General case' 0 C--N 1.306 -1.309 0 CA-C-O 121.984 0.897 . . . . 2.47 110.395 178.371 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.661 ' HE3' ' O ' ' A' ' 25' ' ' ASP . 65.5 mmtt -137.6 156.55 47.94 Favored 'General case' 0 C--N 1.298 -1.652 0 CA-C-N 114.544 -1.207 . . . . 1.67 107.957 178.63 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.455 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 13.5 p -141.22 165.82 26.47 Favored 'General case' 0 C--N 1.286 -2.179 0 N-CA-C 107.809 -1.182 . . . . 1.72 107.809 -177.381 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.951 ' HB3' ' HG3' ' A' ' 43' ' ' MET . 97.0 m-85 -88.96 23.19 2.45 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 113.437 0.902 . . . . 1.03 113.437 -169.072 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.6 t -165.75 -53.98 0.03 OUTLIER 'General case' 0 C--N 1.309 -1.193 0 CA-C-N 115.773 -0.649 . . . . 1.85 110.911 173.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -63.41 -49.71 72.7 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 112.533 0.568 . . . . 2.31 112.533 -178.252 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.542 ' HB3' ' HD3' ' A' ' 30' ' ' LYS . 12.3 m-20 -97.83 2.39 49.3 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 113.688 0.995 . . . . 1.67 113.688 -179.084 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.4 HD13 HG11 ' A' ' 15' ' ' VAL . 68.3 mt -124.94 168.81 12.78 Favored 'General case' 0 C--N 1.309 -1.177 0 N-CA-C 112.935 0.717 . . . . 1.23 112.935 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.467 ' HB3' ' HB3' ' A' ' 19' ' ' ALA . 12.9 t70 -82.81 -13.48 56.15 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-N 114.659 -1.155 . . . . 2.15 109.131 -176.434 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.2 m -75.89 126.79 36.99 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.204 0 CA-C-N 115.105 -0.952 . . . . 2.86 110.977 -178.516 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -73.54 156.24 38.34 Favored 'General case' 0 C--N 1.283 -2.323 0 N-CA-C 106.237 -1.764 . . . . 2.96 106.237 171.544 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 78.0 p -64.42 -48.81 73.98 Favored 'General case' 0 C--N 1.295 -1.766 0 C-N-CA 120.948 -0.301 . . . . 1.56 110.964 -174.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.3 mp -62.3 -23.23 66.62 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-O 121.152 0.501 . . . . 1.81 111.124 179.111 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.3 m -81.48 -33.79 31.73 Favored 'General case' 0 N--CA 1.439 -1.017 0 C-N-CA 123.356 0.662 . . . . 1.5 110.279 178.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.951 ' HG3' ' HB3' ' A' ' 32' ' ' PHE . 13.6 tmm? -61.28 -26.34 67.71 Favored 'General case' 0 C--O 1.223 -0.339 0 C-N-CA 123.604 0.762 . . . . 1.2 110.412 -179.718 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.457 ' HA ' HG12 ' A' ' 47' ' ' VAL . 23.9 t -56.63 -23.58 17.53 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.41 0 CA-C-N 116.241 -0.436 . . . . 1.3 111.269 178.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -82.57 -28.17 31.1 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 122.096 -0.377 . . . . 2.06 111.644 177.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.59 HG23 ' HB ' ' A' ' 14' ' ' ILE . 7.1 p -83.85 -36.34 12.14 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 C-N-CA 120.257 -0.577 . . . . 2.03 110.978 178.775 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.457 HG12 ' HA ' ' A' ' 44' ' ' VAL . 11.8 p -62.03 -42.32 94.45 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.791 0 C-N-CA 120.89 -0.324 . . . . 1.22 111.657 -179.59 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 13.0 p -69.51 -28.92 39.77 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.817 0 CA-C-O 121.298 0.57 . . . . 1.35 110.707 -179.397 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -80.57 -29.77 37.01 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.298 0.57 . . . . 1.09 110.462 -179.337 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.91 -30.43 71.42 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 116.063 -0.517 . . . . 1.07 111.563 -179.346 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -55.47 -55.94 25.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.674 0.273 . . . . 0.8 111.311 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.517 ' HG3' ' N ' ' A' ' 53' ' ' ARG . 5.0 pt-20 -67.06 -37.24 83.68 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.952 0.406 . . . . 0.96 111.23 -178.309 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.55 ' HA ' ' CZ ' ' A' ' 53' ' ' ARG . 3.0 mmp_? -72.82 -32.78 65.77 Favored 'General case' 0 N--CA 1.443 -0.791 0 N-CA-C 112.642 0.608 . . . . 4.41 112.642 -172.638 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -102.74 4.82 38.43 Favored 'General case' 0 C--N 1.308 -1.219 0 N-CA-C 112.113 0.412 . . . . 0.49 112.113 -179.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 38.7 t70 63.2 33.31 14.41 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-O 122.954 1.359 . . . . 1.95 109.879 176.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.576 HG11 HG22 ' A' ' 76' ' ' ILE . 7.6 p -126.96 177.68 5.33 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.116 0 CA-C-N 114.559 -1.201 . . . . 1.96 109.801 -172.746 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.469 ' H ' HG23 ' A' ' 56' ' ' VAL . 50.8 mtpt -121.77 141.5 51.14 Favored 'General case' 0 C--N 1.305 -1.365 0 N-CA-C 108.254 -1.017 . . . . 3.77 108.254 174.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 45.9 mt -133.09 88.39 36.64 Favored Pre-proline 0 C--N 1.288 -2.08 0 N-CA-C 108.414 -0.958 . . . . 1.24 108.414 176.394 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.518 ' O ' HG22 ' A' ' 63' ' ' VAL . 29.3 Cg_exo -65.25 151.34 85.69 Favored 'Trans proline' 0 C--O 1.238 0.509 0 C-N-CA 123.419 2.746 . . . . 0.79 111.471 179.756 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -50.88 -42.99 59.49 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.381 1.072 . . . . 2.3 111.92 -177.05 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -66.02 -41.68 90.67 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.086 -0.506 . . . . 2.38 110.596 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.521 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 11.4 m-20 -69.46 -29.72 67.47 Favored 'General case' 0 CA--C 1.499 -1.018 0 CA-C-N 116.016 -0.538 . . . . 1.52 112.258 -179.745 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.518 HG22 ' O ' ' A' ' 59' ' ' PRO . 80.6 t -58.65 -60.61 2.09 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.909 0 N-CA-C 108.339 -0.985 . . . . 1.42 108.339 174.785 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -62.18 -13.75 30.6 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.4 1.08 . . . . 1.93 112.46 -176.173 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 12.3 t30 -85.66 -14.17 46.36 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-O 121.627 0.727 . . . . 2.65 110.972 179.016 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' A' ' 62' ' ' ASP . 67.4 mt -96.24 -174.61 3.12 Favored 'General case' 0 C--N 1.317 -0.848 0 N-CA-C 108.979 -0.749 . . . . 1.24 108.979 -178.755 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.2 ptpp? -163.61 -54.02 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.622 0.248 . . . . 3.26 111.175 179.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.455 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 52.5 p -104.4 -178.61 3.71 Favored 'General case' 0 N--CA 1.427 -1.583 0 N-CA-C 108.484 -0.932 . . . . 1.17 108.484 176.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.495 HG12 ' CZ ' ' A' ' 32' ' ' PHE . 25.4 m -79.49 -13.69 13.32 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.145 0 C-N-CA 120.227 -0.589 . . . . 1.35 109.416 176.003 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -74.73 -19.2 80.0 Favored Glycine 0 C--O 1.215 -1.038 0 N-CA-C 110.405 -1.078 . . . . 0.46 110.405 176.438 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -83.44 -47.02 11.83 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 108.569 -0.9 . . . . 1.62 108.569 175.107 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.507 ' HA ' HD11 ' A' ' 66' ' ' LEU . . . -62.87 -49.52 74.52 Favored 'General case' 0 CA--C 1.506 -0.714 0 CA-C-N 113.957 -1.474 . . . . 1.21 112.045 -173.433 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.674 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 2.1 p -48.56 -56.0 9.57 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.238 0.961 . . . . 1.16 112.631 -177.001 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 62.9 mmtt -54.58 -39.76 68.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.393 1.058 . . . . 4.01 111.262 -174.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 82.9 t80 -75.07 -47.13 30.32 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.255 -0.43 . . . . 1.09 110.404 -179.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.576 HG22 HG11 ' A' ' 56' ' ' VAL . 91.2 mt -58.95 -63.39 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.621 -0.718 . . . . 1.26 110.841 -178.708 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.674 ' HG ' ' O ' ' A' ' 73' ' ' THR . 2.7 pp -58.77 -22.44 58.06 Favored 'General case' 0 C--O 1.236 0.379 0 N-CA-C 113.646 0.98 . . . . 2.3 113.646 -173.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 38.5 t70 . . . . . 0 C--N 1.306 -1.311 0 CA-C-N 116.041 -0.527 . . . . 1.32 111.396 -177.253 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.502 -0.902 0 N-CA-C 107.849 -1.167 . . . . 1.46 107.849 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.441 ' O ' HG12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -102.15 -170.5 1.82 Allowed 'General case' 0 C--N 1.3 -1.547 0 C-N-CA 119.974 -0.691 . . . . 2.11 109.527 178.706 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.536 ' HG3' HD21 ' A' ' 77' ' ' LEU . 55.5 mt-30 -62.02 -38.13 87.5 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 113.01 0.744 . . . . 2.34 113.01 -172.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -62.74 -50.75 69.85 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.772 0.32 . . . . 3.05 110.396 177.39 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -66.65 -36.16 81.89 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 115.828 -0.623 . . . . 2.53 110.601 -179.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.441 HG12 ' O ' ' A' ' 3' ' ' THR . 25.9 mm -64.42 -51.83 63.08 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.882 0 N-CA-C 109.046 -0.724 . . . . 1.16 109.046 179.316 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.516 ' HA ' HD12 ' A' ' 11' ' ' LEU . 89.9 t -63.41 -35.5 72.61 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.771 0 CA-C-N 116.238 -0.437 . . . . 1.22 111.22 179.345 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.43 -42.44 96.06 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-O 121.081 0.467 . . . . 1.24 110.034 176.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.27 -40.81 92.13 Favored Glycine 0 N--CA 1.435 -1.421 0 N-CA-C 110.728 -0.949 . . . . 0.38 110.728 179.183 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.516 HD12 ' HA ' ' A' ' 8' ' ' VAL . 92.5 mt -56.09 -52.68 63.44 Favored 'General case' 0 CA--C 1.51 -0.59 0 C-N-CA 122.931 0.493 . . . . 1.12 110.644 177.446 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.408 ' HB3' ' HB ' ' A' ' 26' ' ' VAL . . . -59.8 -29.99 68.61 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.509 -0.769 . . . . 1.1 112.711 -177.402 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -63.11 -44.9 94.37 Favored 'General case' 0 N--CA 1.421 -1.882 0 CA-C-O 120.825 0.345 . . . . 2.48 110.499 178.481 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.626 HG23 ' HB3' ' A' ' 49' ' ' ALA . 3.1 mp -79.14 -29.27 13.8 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.492 0 C-N-CA 118.796 -1.162 . . . . 1.14 109.925 178.465 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 11' ' ' LEU . 40.7 t -65.61 -27.78 42.46 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 CA-C-O 121.688 0.756 . . . . 1.11 109.728 177.038 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -70.62 -40.39 73.17 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 115.896 -0.593 . . . . 0.95 110.23 174.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -69.66 -44.55 70.31 Favored 'General case' 0 C--N 1.303 -1.428 0 CA-C-N 115.769 -0.65 . . . . 2.11 109.852 -179.639 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.504 HG13 ' HB ' ' A' ' 46' ' ' VAL . 41.6 mm -73.49 -53.67 17.44 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-N 115.939 -0.573 . . . . 1.33 112.039 -177.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.78 ' HB2' HG22 ' A' ' 38' ' ' VAL . . . -108.5 -48.53 3.31 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-O 121.066 0.46 . . . . 1.22 111.766 -174.823 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 106.19 62.25 0.61 Allowed Glycine 0 C--N 1.302 -1.317 0 C-N-CA 119.633 -1.27 . . . . 0.93 113.209 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 2.1 pp -104.94 158.46 31.99 Favored Pre-proline 0 C--N 1.301 -1.523 0 N-CA-C 109.163 -0.68 . . . . 1.31 109.163 173.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.454 ' C ' ' H ' ' A' ' 24' ' ' GLU . 24.0 Cg_exo -66.24 142.42 66.78 Favored 'Trans proline' 0 N--CA 1.445 -1.326 0 C-N-CA 121.612 1.541 . . . . 0.86 108.689 173.161 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.7 p -84.64 32.26 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.304 -1.411 0 CA-C-O 123.134 1.445 . . . . 2.05 110.26 -176.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.454 ' H ' ' C ' ' A' ' 22' ' ' PRO . 11.8 pt-20 -138.88 10.21 2.62 Favored 'General case' 0 C--N 1.302 -1.477 0 CA-C-N 113.86 -1.518 . . . . 2.03 108.079 178.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -100.52 -38.44 8.38 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.25 -0.886 . . . . 1.07 110.928 -178.213 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.408 ' HB ' ' HB3' ' A' ' 12' ' ' ALA . 20.1 t -82.39 91.98 2.4 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.396 0 CA-C-N 115.003 -0.999 . . . . 1.46 110.685 -173.455 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.534 ' H ' ' HG3' ' A' ' 30' ' ' LYS . 96.2 mttt -103.0 -178.27 3.61 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 108.184 -1.043 . . . . 3.36 108.184 173.549 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.427 HD11 ' HB3' ' A' ' 4' ' ' GLN . 4.6 mm? -65.02 -28.1 69.27 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 114.376 1.25 . . . . 1.64 114.376 -175.735 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -88.39 15.96 7.07 Favored 'General case' 0 N--CA 1.486 1.328 0 N-CA-C 112.147 0.425 . . . . 2.47 112.147 -178.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.534 ' HG3' ' H ' ' A' ' 27' ' ' LYS . 28.5 mmmt -100.76 134.57 43.53 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 108.899 -0.778 . . . . 1.67 108.899 179.727 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.58 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 0.7 OUTLIER -109.65 151.09 27.32 Favored 'General case' 0 C--N 1.291 -1.956 0 N-CA-C 107.246 -1.391 . . . . 1.72 107.246 176.03 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.53 ' HA ' HD11 ' A' ' 36' ' ' LEU . 98.5 m-85 -54.88 -48.0 73.53 Favored 'General case' 0 C--N 1.311 -1.066 0 N-CA-C 114.557 1.317 . . . . 1.03 114.557 -172.029 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.0 t -121.77 23.1 10.28 Favored 'General case' 0 C--N 1.297 -1.702 0 C-N-CA 118.448 -1.301 . . . . 1.85 110.577 -178.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.486 ' HB2' ' HB2' ' A' ' 31' ' ' SER . 10.2 m-20 -115.2 -36.41 4.38 Favored 'General case' 0 C--N 1.307 -1.276 0 N-CA-C 108.856 -0.794 . . . . 2.31 108.856 176.258 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -123.28 -27.61 4.11 Favored 'General case' 0 CA--C 1.494 -1.185 0 CA-C-N 115.643 -0.708 . . . . 1.67 110.891 -176.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.53 HD11 ' HA ' ' A' ' 32' ' ' PHE . 71.3 mt -88.34 147.96 24.51 Favored 'General case' 0 N--CA 1.429 -1.524 0 CA-C-O 121.436 0.636 . . . . 1.23 112.069 -176.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -96.75 70.69 2.54 Favored 'General case' 0 C--N 1.284 -2.254 0 CA-C-O 123.08 1.419 . . . . 2.15 110.354 -178.106 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.78 HG22 ' HB2' ' A' ' 19' ' ' ALA . 12.9 p -127.67 171.4 16.01 Favored 'Isoleucine or valine' 0 C--N 1.267 -3.018 0 N-CA-C 105.041 -2.207 . . . . 2.86 105.041 173.118 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -69.91 -84.62 0.03 OUTLIER 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 109.003 -0.74 . . . . 2.96 109.003 172.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 68.1 p 156.89 -47.73 0.0 OUTLIER 'General case' 0 C--O 1.212 -0.873 0 C-N-CA 127.089 2.155 . . . . 1.56 108.386 173.319 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.4 mp -69.33 -25.68 64.33 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 107.234 -1.395 . . . . 1.81 107.234 177.401 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 34.0 t -81.56 -14.89 56.29 Favored 'General case' 0 CA--C 1.562 1.406 0 CA-C-N 113.959 -1.473 . . . . 1.5 110.819 175.051 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.405 ' HA ' HG12 ' A' ' 46' ' ' VAL . 7.8 tmm? -73.06 -23.01 60.51 Favored 'General case' 0 N--CA 1.484 1.234 0 N-CA-C 108.004 -1.11 . . . . 1.2 108.004 -179.395 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.494 ' HA ' HG13 ' A' ' 47' ' ' VAL . 27.7 t -61.77 -22.7 29.05 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.718 0 CA-C-O 121.671 0.748 . . . . 1.3 109.904 176.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -76.85 -30.73 56.43 Favored 'General case' 0 CA--C 1.555 1.15 0 CA-C-N 115.595 -0.73 . . . . 2.06 110.575 176.49 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.543 HG22 ' CG2' ' A' ' 14' ' ' ILE . 7.2 p -81.27 -40.11 17.94 Favored 'Isoleucine or valine' 0 C--N 1.343 0.32 0 O-C-N 121.903 -0.498 . . . . 2.03 111.255 179.422 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.494 HG13 ' HA ' ' A' ' 44' ' ' VAL . 10.2 p -60.76 -37.33 75.85 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.98 0 C-N-CA 120.579 -0.449 . . . . 1.22 112.024 -179.59 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 13.4 p -70.55 -26.59 28.9 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.748 0 CA-C-O 121.458 0.647 . . . . 1.35 110.71 179.256 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.626 ' HB3' HG23 ' A' ' 14' ' ' ILE . . . -82.82 -26.22 31.93 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.522 0.677 . . . . 1.09 109.356 177.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.78 -34.24 77.4 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 115.888 -0.596 . . . . 1.07 110.806 178.17 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -52.95 -56.91 12.46 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.134 -0.484 . . . . 0.8 111.837 179.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.556 ' HG3' ' N ' ' A' ' 53' ' ' ARG . 5.4 pt-20 -62.42 -38.7 90.73 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 121.003 0.43 . . . . 0.96 111.43 -179.766 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.556 ' N ' ' HG3' ' A' ' 52' ' ' GLU . 4.2 mmp_? -70.19 -41.12 74.14 Favored 'General case' 0 N--CA 1.441 -0.879 0 CA-C-N 116.003 -0.544 . . . . 4.41 112.303 -172.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -94.14 2.86 55.91 Favored 'General case' 0 CA--C 1.5 -0.952 0 C-N-CA 120.488 -0.485 . . . . 0.49 111.728 -178.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 33.4 t70 65.51 33.81 8.41 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-O 122.311 1.053 . . . . 1.95 109.975 175.251 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 16.8 m -114.93 -172.78 0.58 Allowed 'Isoleucine or valine' 0 C--O 1.242 0.687 0 CA-C-N 115.005 -0.998 . . . . 1.96 111.488 -178.286 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 32.3 mtmm -138.53 129.37 26.63 Favored 'General case' 0 C--N 1.315 -0.928 0 N-CA-C 105.294 -2.113 . . . . 3.77 105.294 176.523 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.466 HG12 ' HE2' ' A' ' 75' ' ' TYR . 23.8 mt -131.42 109.64 14.89 Favored Pre-proline 0 C--N 1.304 -1.41 0 N-CA-C 109.529 -0.545 . . . . 1.24 109.529 -179.079 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.551 ' O ' HG23 ' A' ' 63' ' ' VAL . 20.8 Cg_exo -65.83 141.22 64.38 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 123.328 2.685 . . . . 0.79 111.216 -179.192 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -48.6 -46.56 39.61 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 124.277 1.031 . . . . 2.3 112.365 -176.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -69.31 -35.3 75.83 Favored 'General case' 0 CA--C 1.494 -1.187 0 CA-C-N 115.75 -0.659 . . . . 2.38 111.314 -177.511 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -80.32 -26.22 38.89 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-N 116.085 -0.507 . . . . 1.52 110.053 -175.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 59' ' ' PRO . 79.1 t -55.63 -62.53 0.78 Allowed 'Isoleucine or valine' 0 C--O 1.213 -0.838 0 N-CA-C 107.734 -1.209 . . . . 1.42 107.734 171.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -65.51 -2.81 3.66 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.872 -1.058 . . . . 1.93 113.534 -174.596 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -86.98 -19.24 29.02 Favored 'General case' 0 C--N 1.31 -1.133 0 N-CA-C 109.611 -0.514 . . . . 2.65 109.611 178.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.564 HD11 ' HA ' ' A' ' 72' ' ' ALA . 80.5 mt -83.05 179.55 7.72 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.814 -0.63 . . . . 1.24 110.602 -178.055 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.474 ' HG3' HG23 ' A' ' 68' ' ' THR . 14.3 ptmm? -148.83 -53.49 0.18 Allowed 'General case' 0 CA--C 1.555 1.139 0 N-CA-C 113.492 0.923 . . . . 3.26 113.492 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.58 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 58.1 p -101.56 175.8 5.44 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 121.506 -0.746 . . . . 1.17 109.242 -178.359 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 25.0 m -77.39 -22.65 14.32 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.767 0 C-N-CA 119.186 -1.005 . . . . 1.35 108.949 174.202 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -70.64 -43.19 60.92 Favored Glycine 0 N--CA 1.444 -0.77 0 N-CA-C 109.957 -1.257 . . . . 0.46 109.957 177.122 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.425 ' OD2' ' HA ' ' A' ' 66' ' ' LEU . 30.9 t70 -67.0 -29.63 69.51 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.678 0.752 . . . . 1.62 109.519 179.013 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.564 ' HA ' HD11 ' A' ' 66' ' ' LEU . . . -77.12 -43.33 34.5 Favored 'General case' 0 N--CA 1.441 -0.918 0 CA-C-N 115.096 -0.956 . . . . 1.21 110.412 179.033 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 37.0 p -60.66 -27.99 68.24 Favored 'General case' 0 N--CA 1.441 -0.917 0 N-CA-C 112.73 0.641 . . . . 1.16 112.73 179.279 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -62.12 -50.23 72.74 Favored 'General case' 0 C--O 1.216 -0.684 0 O-C-N 123.668 0.605 . . . . 4.01 109.496 177.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.466 ' HE2' HG12 ' A' ' 58' ' ' ILE . 84.2 t80 -54.97 -44.29 74.27 Favored 'General case' 0 C--O 1.246 0.912 0 CA-C-O 121.329 0.585 . . . . 1.09 111.016 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 62.5 mt -71.84 -66.65 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.46 0 CA-C-N 114.804 -1.089 . . . . 1.26 109.639 -177.173 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.536 HD21 ' HG3' ' A' ' 4' ' ' GLN . 50.1 tp -53.3 -34.12 56.06 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.933 1.293 . . . . 2.3 113.502 -175.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 17.9 t70 . . . . . 0 C--N 1.315 -0.919 0 CA-C-O 120.935 0.398 . . . . 1.32 111.771 -179.336 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.097 0 CA-C-O 120.551 0.215 . . . . 2.71 110.504 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.509 ' HB3' ' CB ' ' A' ' 6' ' ' GLU . . . -152.79 155.82 37.88 Favored 'General case' 0 N--CA 1.445 -0.695 0 N-CA-C 108.135 -1.061 . . . . 1.46 108.135 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.616 ' O ' HG12 ' A' ' 7' ' ' ILE . 1.0 OUTLIER -93.85 -168.98 1.99 Allowed 'General case' 0 C--O 1.206 -1.185 0 N-CA-C 108.748 -0.834 . . . . 2.11 108.748 177.707 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.412 ' H ' HG23 ' A' ' 3' ' ' THR . 13.1 pt20 -58.46 -43.15 88.78 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 119.665 1.12 . . . . 2.34 113.801 -170.444 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.435 ' HG2' ' HG3' ' A' ' 6' ' ' GLU . 2.9 pm0 -74.51 -35.13 63.19 Favored 'General case' 0 N--CA 1.439 -1.005 0 CA-C-O 121.728 0.775 . . . . 3.05 109.422 -178.101 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.509 ' CB ' ' HB3' ' A' ' 2' ' ' ALA . 41.4 mt-10 -74.72 -32.34 62.11 Favored 'General case' 0 N--CA 1.431 -1.404 0 CA-C-N 114.743 -1.117 . . . . 2.53 110.593 -176.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.616 HG12 ' O ' ' A' ' 3' ' ' THR . 42.8 mm -61.16 -54.8 30.3 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.523 0 N-CA-C 107.21 -1.404 . . . . 1.16 107.21 174.77 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.536 ' HA ' HD12 ' A' ' 11' ' ' LEU . 88.2 t -53.88 -48.78 62.21 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 CA-C-N 115.199 -0.91 . . . . 1.22 110.562 178.373 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.95 -42.68 85.47 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.227 -0.442 . . . . 1.24 111.4 177.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.83 -41.41 95.61 Favored Glycine 0 C--O 1.222 -0.62 0 N-CA-C 110.875 -0.89 . . . . 0.38 110.875 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.536 HD12 ' HA ' ' A' ' 8' ' ' VAL . 94.4 mt -56.46 -48.85 76.21 Favored 'General case' 0 C--O 1.239 0.512 0 C-N-CA 123.279 0.631 . . . . 1.12 110.296 177.318 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.1 -28.17 68.9 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.248 -0.887 . . . . 1.1 113.227 -176.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -59.06 -45.53 90.54 Favored 'General case' 0 C--O 1.237 0.411 0 N-CA-C 109.63 -0.507 . . . . 2.48 109.63 177.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.579 HG23 ' HA ' ' A' ' 46' ' ' VAL . 3.6 mp -75.01 -42.27 45.66 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.279 0 CA-C-N 115.862 -0.608 . . . . 1.14 109.839 179.185 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.639 HG11 HD13 ' A' ' 36' ' ' LEU . 21.6 t -62.53 -27.02 42.02 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.198 0 CA-C-O 121.979 0.895 . . . . 1.11 111.234 -178.706 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -69.72 -39.53 76.78 Favored 'General case' 0 C--N 1.32 -0.702 0 O-C-N 121.748 -0.595 . . . . 0.95 111.196 176.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -80.71 -26.95 37.13 Favored 'General case' 0 C--N 1.315 -0.915 0 C-N-CA 119.657 -0.817 . . . . 2.11 111.509 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 47.3 mm -81.15 -55.18 8.64 Favored 'Isoleucine or valine' 0 C--O 1.244 0.767 0 C-N-CA 120.62 -0.432 . . . . 1.33 110.92 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.462 ' HB3' ' HB3' ' A' ' 37' ' ' ASP . . . -104.27 -53.88 2.64 Favored 'General case' 0 C--N 1.303 -1.45 0 CA-C-O 121.036 0.446 . . . . 1.22 111.203 -177.525 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 114.17 71.96 0.55 Allowed Glycine 0 N--CA 1.434 -1.478 0 C-N-CA 119.744 -1.217 . . . . 0.93 111.964 -178.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.406 ' O ' HD11 ' A' ' 21' ' ' ILE . 2.2 pp -113.89 151.03 44.4 Favored Pre-proline 0 C--N 1.294 -1.837 0 N-CA-C 109.725 -0.472 . . . . 1.31 109.725 176.449 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.443 ' C ' ' H ' ' A' ' 24' ' ' GLU . 17.4 Cg_exo -67.06 132.26 27.52 Favored 'Trans proline' 0 N--CA 1.449 -1.134 0 C-N-CA 121.782 1.655 . . . . 0.86 110.05 176.61 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.6 m -80.47 28.33 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.31 -1.115 0 CA-C-O 122.439 1.114 . . . . 2.05 112.876 -178.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.443 ' H ' ' C ' ' A' ' 22' ' ' PRO . 11.8 pt-20 -131.78 -3.95 3.65 Favored 'General case' 0 C--N 1.297 -1.705 0 CA-C-N 113.789 -1.551 . . . . 2.03 107.728 176.596 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.657 ' O ' ' HE3' ' A' ' 30' ' ' LYS . 18.2 t70 -94.11 -48.54 6.17 Favored 'General case' 0 CA--C 1.493 -1.215 0 CA-C-N 115.007 -0.997 . . . . 1.07 109.624 -174.301 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.463 ' HA ' ' HG3' ' A' ' 30' ' ' LYS . 35.0 t -71.04 94.91 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.076 0 CA-C-N 114.49 -1.232 . . . . 1.46 109.779 -177.106 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -113.62 -164.85 0.95 Allowed 'General case' 0 C--N 1.3 -1.548 0 CA-C-N 114.442 -1.253 . . . . 3.36 107.688 177.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.453 HD11 HG23 ' A' ' 8' ' ' VAL . 4.0 mm? -68.64 -33.33 73.83 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 113.087 0.773 . . . . 1.64 113.087 -177.539 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -88.35 63.92 7.33 Favored 'General case' 0 C--O 1.247 0.93 0 CA-C-O 122.718 1.247 . . . . 2.47 110.64 179.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.657 ' HE3' ' O ' ' A' ' 25' ' ' ASP . 67.2 mmtt -142.34 164.97 28.7 Favored 'General case' 0 C--N 1.309 -1.153 0 CA-C-N 113.938 -1.483 . . . . 1.67 109.775 -178.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.512 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 41.0 t -144.92 161.76 38.53 Favored 'General case' 0 C--N 1.296 -1.746 0 N-CA-C 105.304 -2.11 . . . . 1.72 105.304 175.208 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.413 ' CZ ' ' H6 ' ' A' ' 101' ' ' SXO . 80.0 m-85 -81.54 -66.35 0.9 Allowed 'General case' 0 CA--C 1.49 -1.334 0 CA-C-O 121.331 0.586 . . . . 1.03 111.066 -168.158 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 27.9 p -92.45 36.1 1.01 Allowed 'General case' 0 C--N 1.268 -2.935 0 C-N-CA 119.369 -0.933 . . . . 1.85 112.175 -177.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.475 ' HB2' ' HB3' ' A' ' 31' ' ' SER . 6.8 m-20 -140.89 -50.89 0.45 Allowed 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.437 -0.801 . . . . 2.31 109.162 -179.319 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -110.32 6.06 22.12 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.874 -0.603 . . . . 1.67 110.91 -173.365 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.639 HD13 HG11 ' A' ' 15' ' ' VAL . 64.4 mt -112.42 -166.26 1.06 Allowed 'General case' 0 CA--C 1.504 -0.79 0 N-CA-C 108.494 -0.928 . . . . 1.23 108.494 177.737 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.462 ' HB3' ' HB3' ' A' ' 19' ' ' ALA . 19.4 t70 -74.84 -8.02 55.19 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.48 0.657 . . . . 2.15 110.393 -178.373 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 57.8 t 65.82 75.92 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.448 -0.569 0 CA-C-O 122.929 1.347 . . . . 2.86 110.876 177.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.75 -30.32 70.71 Favored 'General case' 0 C--N 1.303 -1.441 0 CA-C-N 113.204 -1.817 . . . . 2.96 109.256 178.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.542 ' OG ' HD23 ' A' ' 41' ' ' LEU . 28.8 t 56.13 -102.61 0.16 Allowed 'General case' 0 N--CA 1.44 -0.96 0 C-N-CA 125.543 1.537 . . . . 1.56 112.081 -178.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.542 HD23 ' OG ' ' A' ' 40' ' ' SER . 3.1 mm? -72.68 -29.15 63.17 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-O 121.748 0.785 . . . . 1.81 110.037 -177.605 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 25.6 m -73.85 -13.02 60.86 Favored 'General case' 0 C--N 1.306 -1.312 0 CA-C-N 115.302 -0.863 . . . . 1.5 111.027 179.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 20.2 ttp -67.81 -21.47 65.22 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-O 121.262 0.553 . . . . 1.2 109.554 179.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.535 ' HA ' HG11 ' A' ' 47' ' ' VAL . 41.7 t -65.84 -26.04 37.71 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.78 0 N-CA-C 109.387 -0.598 . . . . 1.3 109.387 176.689 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -76.12 -26.56 56.49 Favored 'General case' 0 N--CA 1.463 0.177 0 N-CA-C 108.739 -0.838 . . . . 2.06 108.739 177.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.579 ' HA ' HG23 ' A' ' 14' ' ' ILE . 76.0 t -71.26 -60.95 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 115.106 -0.952 . . . . 2.03 108.765 177.118 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.576 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 10.1 p -55.29 -43.27 70.39 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 N-CA-C 113.08 0.77 . . . . 1.22 113.08 -176.494 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 14.8 p -61.5 -34.46 61.62 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.845 0 CA-C-O 121.463 0.649 . . . . 1.35 111.012 -178.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.655 ' O ' ' HG2' ' A' ' 53' ' ' ARG . . . -78.02 -33.36 51.19 Favored 'General case' 0 N--CA 1.439 -0.994 0 N-CA-C 109.634 -0.506 . . . . 1.09 109.634 178.364 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.83 -33.74 75.37 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 116.013 -0.54 . . . . 1.07 111.841 -178.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.576 ' HG3' ' O ' ' A' ' 47' ' ' VAL . 41.5 mt-10 -53.89 -53.56 50.88 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 123.48 0.487 . . . . 0.8 110.558 178.492 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.463 ' HG3' ' HE ' ' A' ' 53' ' ' ARG . 12.8 pt-20 -69.83 -32.28 70.6 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 116.272 -0.422 . . . . 0.96 111.412 -178.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.655 ' HG2' ' O ' ' A' ' 49' ' ' ALA . 6.7 mmp_? -63.75 -44.39 93.66 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.874 0.369 . . . . 4.41 111.079 -178.165 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -101.77 8.93 41.26 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 112.683 0.623 . . . . 0.49 112.683 -174.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 65.24 36.65 6.93 Favored 'General case' 0 N--CA 1.478 0.928 0 O-C-N 123.608 0.567 . . . . 1.95 111.803 177.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.482 HG23 ' HA ' ' A' ' 51' ' ' GLU . 21.4 m -119.89 -176.96 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.253 0 CA-C-N 116.194 -0.457 . . . . 1.96 110.553 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.405 ' HA ' ' HD2' ' A' ' 57' ' ' LYS . 23.5 tptp -149.66 105.79 3.48 Favored 'General case' 0 C--N 1.294 -1.805 0 N-CA-C 106.168 -1.79 . . . . 3.77 106.168 175.127 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 61.9 mt -104.9 110.65 64.76 Favored Pre-proline 0 C--N 1.286 -2.194 0 N-CA-C 109.926 -0.398 . . . . 1.24 109.926 -171.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.497 ' O ' HG22 ' A' ' 63' ' ' VAL . 35.5 Cg_exo -63.16 148.5 93.12 Favored 'Trans proline' 0 C--O 1.242 0.681 0 C-N-CA 122.791 2.327 . . . . 0.79 111.049 178.053 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -55.77 -31.42 62.58 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 124.775 1.23 . . . . 2.3 110.059 -177.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -61.96 -57.1 12.98 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 114.254 -1.339 . . . . 2.38 109.865 178.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.481 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 8.1 m-20 -62.2 -32.9 73.6 Favored 'General case' 0 CA--C 1.495 -1.156 0 CA-C-N 115.635 -0.711 . . . . 1.52 112.702 -177.155 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.497 HG22 ' O ' ' A' ' 59' ' ' PRO . 34.6 t -54.7 -51.2 53.71 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.714 0 O-C-N 123.603 0.564 . . . . 1.42 110.085 179.752 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 35.9 mtmm -82.08 -6.41 59.14 Favored 'General case' 0 C--N 1.322 -0.628 0 O-C-N 122.137 -0.352 . . . . 1.93 111.819 -178.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -94.44 -7.42 41.51 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.962 0.411 . . . . 2.65 111.026 179.104 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.675 ' HB2' ' H4 ' ' A' ' 101' ' ' SXO . 98.4 mt -96.96 163.45 12.95 Favored 'General case' 0 C--N 1.308 -1.236 0 N-CA-C 108.276 -1.009 . . . . 1.24 108.276 176.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.2 pttp -122.69 -83.2 0.66 Allowed 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 114.755 1.391 . . . . 3.26 114.755 -176.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.459 HG21 ' HB2' ' A' ' 31' ' ' SER . 77.3 p -88.01 -177.0 5.65 Favored 'General case' 0 C--N 1.304 -1.407 0 C-N-CA 120.415 -0.514 . . . . 1.17 110.132 -175.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.6 m -81.87 -20.43 10.5 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.065 0 N-CA-C 109.015 -0.735 . . . . 1.35 109.015 176.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -79.21 -25.48 59.38 Favored Glycine 0 N--CA 1.44 -1.092 0 N-CA-C 109.375 -1.49 . . . . 0.46 109.375 176.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -83.11 -43.19 16.52 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 114.715 -0.742 . . . . 1.62 110.709 176.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.545 ' HA ' HD12 ' A' ' 66' ' ' LEU . . . -65.64 -37.65 87.15 Favored 'General case' 0 CA--C 1.503 -0.85 0 CA-C-N 115.836 -0.62 . . . . 1.21 111.173 -176.538 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.638 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 2.9 p -57.22 -34.16 68.27 Favored 'General case' 0 N--CA 1.432 -1.372 0 CA-C-N 115.735 -0.666 . . . . 1.16 112.277 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 49.4 tptt -53.56 -46.46 70.27 Favored 'General case' 0 C--O 1.224 -0.281 0 O-C-N 123.792 0.683 . . . . 4.01 111.342 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -72.5 -43.72 63.24 Favored 'General case' 0 C--N 1.309 -1.195 0 CA-C-O 121.108 0.48 . . . . 1.09 110.375 -178.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.455 ' O ' ' HG2' ' A' ' 80' ' ' GLN . 70.7 mt -65.23 -65.33 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 CA-C-N 115.278 -0.874 . . . . 1.26 111.715 -175.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.638 ' HG ' ' O ' ' A' ' 73' ' ' THR . 4.2 pp -59.95 -22.08 62.01 Favored 'General case' 0 CA--C 1.516 -0.346 0 N-CA-C 113.071 0.767 . . . . 2.3 113.071 -173.594 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -84.64 -33.77 23.2 Favored 'General case' 0 C--N 1.308 -1.229 0 CA-C-N 116.133 -0.485 . . . . 1.32 111.628 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 23.0 t-80 -86.85 -26.49 24.0 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 120.329 -0.549 . . . . 3.57 110.942 -173.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.455 ' HG2' ' O ' ' A' ' 76' ' ' ILE . 2.0 pt20 -71.99 177.4 4.35 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 122.125 0.964 . . . . 2.23 112.57 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.41 -2.425 0 N-CA-C 105.751 -1.944 . . . . 3.38 105.751 174.674 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' SXO . . . . . 0.675 ' H4 ' ' HB2' ' A' ' 66' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.514 -0.408 0 N-CA-C 108.043 -1.095 . . . . 2.71 108.043 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.474 ' HB1' HD11 ' A' ' 7' ' ' ILE . . . -158.03 160.74 37.76 Favored 'General case' 0 C--N 1.312 -1.048 0 N-CA-C 107.585 -1.265 . . . . 1.46 107.585 -178.469 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.6 m -90.21 168.72 11.72 Favored 'General case' 0 C--N 1.289 -2.063 0 C-N-CA 119.667 -0.813 . . . . 2.11 109.417 178.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.445 ' HG2' HD22 ' A' ' 28' ' ' LEU . 29.9 tt0 -44.26 -50.05 9.07 Favored 'General case' 0 CA--C 1.551 1.002 0 N-CA-C 115.944 1.831 . . . . 2.34 115.944 -169.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -64.0 -48.38 76.6 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 109.255 -0.646 . . . . 3.05 109.255 179.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -64.95 -30.23 71.21 Favored 'General case' 0 C--O 1.222 -0.347 0 CA-C-N 115.932 -0.577 . . . . 2.53 111.47 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.474 HD11 ' HB1' ' A' ' 2' ' ' ALA . 31.5 mm -59.5 -53.32 49.83 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 N-CA-C 108.733 -0.84 . . . . 1.16 108.733 175.199 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.554 HG21 HD21 ' A' ' 28' ' ' LEU . 80.0 t -59.89 -47.1 92.83 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 CA-C-N 116.373 -0.376 . . . . 1.22 110.138 178.675 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.98 -41.37 74.69 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.967 -0.56 . . . . 1.24 111.142 178.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.27 -46.19 80.9 Favored Glycine 0 N--CA 1.435 -1.368 0 N-CA-C 110.39 -1.084 . . . . 0.38 110.39 178.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.512 HD13 ' HA ' ' A' ' 8' ' ' VAL . 94.3 mt -54.13 -48.51 70.71 Favored 'General case' 0 CA--C 1.514 -0.426 0 C-N-CA 123.725 0.81 . . . . 1.12 110.27 177.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.61 -27.92 65.12 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.119 -0.946 . . . . 1.1 113.416 -177.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -68.25 -44.32 75.91 Favored 'General case' 0 C--O 1.245 0.826 0 C-N-CA 119.645 -0.822 . . . . 2.48 110.546 178.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.775 ' HB ' HG23 ' A' ' 46' ' ' VAL . 3.6 mp -75.86 -33.19 25.09 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.885 0 N-CA-C 108.347 -0.983 . . . . 1.14 108.347 178.56 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.514 HG12 HG13 ' A' ' 21' ' ' ILE . 96.3 t -65.78 -28.95 45.45 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.201 0 CA-C-O 121.504 0.668 . . . . 1.11 110.763 177.005 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -72.1 -33.28 67.73 Favored 'General case' 0 C--O 1.212 -0.921 0 CA-C-O 121.209 0.528 . . . . 0.95 109.86 174.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -70.31 -51.23 31.79 Favored 'General case' 0 C--N 1.307 -1.24 0 N-CA-C 109.434 -0.58 . . . . 2.11 109.434 177.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.557 HG13 ' HB ' ' A' ' 46' ' ' VAL . 49.7 mm -70.35 -53.67 21.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.616 -0.72 . . . . 1.33 111.829 -177.254 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -102.89 -50.91 3.4 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-O 120.972 0.415 . . . . 1.22 111.245 -174.566 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 107.12 41.54 1.65 Allowed Glycine 0 C--N 1.308 -1.009 0 C-N-CA 119.818 -1.182 . . . . 0.93 113.277 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.514 HG13 HG12 ' A' ' 15' ' ' VAL . 2.2 pp -91.2 158.67 40.94 Favored Pre-proline 0 C--N 1.308 -1.224 0 O-C-N 122.673 -0.31 . . . . 1.31 111.446 178.653 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -69.26 124.77 11.63 Favored 'Trans proline' 0 N--CA 1.446 -1.323 0 C-N-CA 121.938 1.759 . . . . 0.86 109.282 173.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 10.6 p -54.25 -30.5 20.82 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.076 0 C-N-CA 124.042 0.937 . . . . 2.05 112.343 -178.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -88.96 -4.74 58.35 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 111.951 0.352 . . . . 2.03 111.951 -178.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -84.94 -46.29 11.39 Favored 'General case' 0 CA--C 1.502 -0.879 0 C-N-CA 120.426 -0.51 . . . . 1.07 109.676 -178.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 1.032 ' HB ' HD23 ' A' ' 36' ' ' LEU . 1.9 p -80.45 101.54 5.58 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.581 0 CA-C-O 122.138 0.97 . . . . 1.46 111.127 178.27 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 64.7 mttm -118.0 -165.43 1.1 Allowed 'General case' 0 C--N 1.294 -1.819 0 CA-C-N 113.86 -1.518 . . . . 3.36 107.725 175.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.554 HD21 HG21 ' A' ' 8' ' ' VAL . 4.0 mm? -55.74 -26.43 45.48 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 115.06 1.504 . . . . 1.64 115.06 -178.074 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -93.16 64.23 3.78 Favored 'General case' 0 C--N 1.31 -1.151 0 C-N-CA 120.536 -0.466 . . . . 2.47 110.233 178.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.716 ' HG3' ' HA ' ' A' ' 26' ' ' VAL . 35.0 mmtm -144.46 160.68 40.68 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.118 -0.946 . . . . 1.67 111.885 178.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.439 ' H ' ' HB3' ' A' ' 35' ' ' ASP . 30.3 t -140.59 149.94 42.99 Favored 'General case' 0 C--N 1.285 -2.235 0 N-CA-C 104.334 -2.469 . . . . 1.72 104.334 172.3 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.532 ' CE1' ' H5A' ' A' ' 101' ' ' SXO . 97.5 m-85 -66.98 -46.34 74.88 Favored 'General case' 0 C--N 1.297 -1.684 0 N-CA-C 114.02 1.118 . . . . 1.03 114.02 -165.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.867 HG21 ' HB3' ' A' ' 40' ' ' SER . 10.1 t -120.12 18.98 12.32 Favored 'General case' 0 C--N 1.278 -2.535 0 C-N-CA 118.861 -1.136 . . . . 1.85 110.456 -179.56 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -121.26 -43.28 2.43 Favored 'General case' 0 C--N 1.3 -1.553 0 CA-C-N 115.22 -0.9 . . . . 2.31 111.56 -179.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.447 ' HB3' ' HD3' ' A' ' 30' ' ' LYS . 3.9 t70 -104.67 -23.55 13.07 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 108.094 -1.076 . . . . 1.67 108.094 179.168 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 1.032 HD23 ' HB ' ' A' ' 26' ' ' VAL . 39.2 mt -97.7 179.63 4.76 Favored 'General case' 0 CA--C 1.51 -0.586 0 CA-C-N 115.433 -0.803 . . . . 1.23 110.247 178.448 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -108.37 23.21 14.86 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-O 121.622 0.725 . . . . 2.15 110.033 -177.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.426 HG23 ' HB3' ' A' ' 36' ' ' LEU . 23.4 t -88.49 128.84 40.47 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.718 0 N-CA-C 107.441 -1.318 . . . . 2.86 107.441 -179.296 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.458 ' O ' ' HB3' ' A' ' 42' ' ' SER . 37.4 m-20 -69.94 144.41 52.39 Favored 'General case' 0 C--N 1.293 -1.855 0 N-CA-C 108.079 -1.082 . . . . 2.96 108.079 175.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.867 ' HB3' HG21 ' A' ' 33' ' ' THR . 46.8 p -67.58 -39.02 84.87 Favored 'General case' 0 C--N 1.295 -1.761 0 CA-C-O 121.438 0.637 . . . . 1.56 111.538 -177.219 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.7 mp -71.17 -15.78 62.5 Favored 'General case' 0 C--N 1.307 -1.279 0 CA-C-O 121.595 0.712 . . . . 1.81 109.854 177.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.458 ' HB3' ' O ' ' A' ' 39' ' ' ASP . 47.4 t -85.28 -39.35 17.83 Favored 'General case' 0 CA--C 1.554 1.121 0 C-N-CA 124.456 1.102 . . . . 1.5 111.439 179.733 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.481 ' HE3' ' H5 ' ' A' ' 101' ' ' SXO . 30.2 ttp -57.89 -22.84 50.4 Favored 'General case' 0 N--CA 1.496 1.834 0 CA-C-O 121.173 0.511 . . . . 1.2 111.955 -176.406 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 61.9 t -51.41 -36.27 17.33 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.693 0 C-N-CA 123.866 0.866 . . . . 1.3 111.331 179.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -72.52 -42.46 64.77 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.879 0.371 . . . . 2.06 111.596 178.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.775 HG23 ' HB ' ' A' ' 14' ' ' ILE . 5.2 p -74.11 -31.15 28.92 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.523 0 O-C-N 121.807 -0.558 . . . . 2.03 112.275 -178.381 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 13.4 p -67.87 -33.3 60.66 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.695 0 C-N-CA 119.995 -0.682 . . . . 1.22 111.831 -179.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 14.1 p -77.47 -25.19 14.88 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.655 0 CA-C-O 121.63 0.728 . . . . 1.35 110.188 178.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.35 -19.07 36.8 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.317 0.579 . . . . 1.09 110.567 178.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.12 -25.68 55.62 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 116.059 -0.519 . . . . 1.07 111.426 -179.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -60.05 -58.55 8.07 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.158 -0.474 . . . . 0.8 110.42 -179.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.4 ' HG3' ' N ' ' A' ' 53' ' ' ARG . 9.4 pt-20 -63.22 -33.37 75.35 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 121.8 0.809 . . . . 0.96 110.861 -179.709 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.4 ' N ' ' HG3' ' A' ' 52' ' ' GLU . 10.0 tpt180 -66.16 -43.72 86.17 Favored 'General case' 0 N--CA 1.435 -1.177 0 CA-C-N 114.911 -1.04 . . . . 4.41 111.479 -175.613 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -103.39 7.94 38.08 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 112.689 0.626 . . . . 0.49 112.689 -176.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 64.99 33.5 9.69 Favored 'General case' 0 N--CA 1.486 1.357 0 O-C-N 123.965 0.791 . . . . 1.95 110.558 178.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.714 HG23 ' H ' ' A' ' 57' ' ' LYS . 9.1 p -122.09 -169.88 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.295 -1.791 0 N-CA-C 108.581 -0.896 . . . . 1.96 108.581 -175.704 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.714 ' H ' HG23 ' A' ' 56' ' ' VAL . 25.6 tptp -150.94 129.61 12.3 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 104.396 -2.446 . . . . 3.77 104.396 176.54 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.453 HD11 ' H8 ' ' A' ' 101' ' ' SXO . 39.0 mt -126.76 102.51 25.32 Favored Pre-proline 0 C--N 1.307 -1.273 0 CA-C-N 118.198 0.453 . . . . 1.24 110.265 -172.212 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.458 ' O ' HG21 ' A' ' 63' ' ' VAL . 19.9 Cg_exo -65.8 144.48 77.57 Favored 'Trans proline' 0 C--O 1.237 0.464 0 C-N-CA 122.894 2.396 . . . . 0.79 111.672 -179.363 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.421 ' O ' ' HB ' ' A' ' 63' ' ' VAL . 17.6 t70 -56.72 -39.44 73.93 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.326 0.65 . . . . 2.3 112.646 -176.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -63.5 -36.66 84.5 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 120.736 -0.386 . . . . 2.38 110.893 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.551 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 3.6 m-20 -74.34 -30.64 62.12 Favored 'General case' 0 C--O 1.215 -0.722 0 CA-C-N 116.521 -0.309 . . . . 1.52 110.61 177.476 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.458 HG21 ' O ' ' A' ' 59' ' ' PRO . 94.2 t -58.82 -58.06 8.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 108.235 -1.024 . . . . 1.42 108.235 173.487 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -61.22 -22.08 64.45 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 115.925 -0.58 . . . . 1.93 111.505 178.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.498 ' HB3' ' HA ' ' A' ' 62' ' ' ASP . 24.4 t-20 -79.91 -23.68 41.63 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 115.874 -0.603 . . . . 2.65 112.275 -179.777 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' A' ' 62' ' ' ASP . 89.5 mt -85.52 -176.87 6.27 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.803 -0.443 . . . . 1.24 109.803 -179.156 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -145.86 -52.77 0.26 Allowed 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 113.051 0.759 . . . . 3.26 113.051 -179.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.481 ' HB ' ' O ' ' A' ' 30' ' ' LYS . 61.0 p -112.0 -171.82 1.92 Allowed 'General case' 0 C--N 1.319 -0.733 0 O-C-N 121.165 -0.959 . . . . 1.17 110.279 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.409 HG11 ' CZ ' ' A' ' 32' ' ' PHE . 23.7 m -81.4 -13.83 12.56 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.766 0 N-CA-C 109.29 -0.633 . . . . 1.35 109.29 176.042 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -74.77 -28.9 62.06 Favored Glycine 0 N--CA 1.441 -1.011 0 N-CA-C 109.29 -1.524 . . . . 0.46 109.29 175.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.445 ' HB3' HD23 ' A' ' 66' ' ' LEU . 9.4 m-20 -79.9 -37.0 35.63 Favored 'General case' 0 C--N 1.312 -1.024 0 N-CA-C 109.197 -0.668 . . . . 1.62 109.197 177.072 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.483 ' HA ' HD11 ' A' ' 66' ' ' LEU . . . -63.91 -53.5 49.4 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 114.817 -1.083 . . . . 1.21 110.084 -178.727 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.471 ' HA ' HG23 ' A' ' 7' ' ' ILE . 8.6 p -52.55 -47.04 67.03 Favored 'General case' 0 N--CA 1.449 -0.518 0 O-C-N 123.969 0.793 . . . . 1.16 111.802 -179.733 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -54.74 -54.04 47.18 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 124.101 0.876 . . . . 4.01 110.466 179.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -62.9 -45.5 92.23 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 123.523 0.514 . . . . 1.09 110.841 -176.177 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.42 HG21 HG13 ' A' ' 56' ' ' VAL . 91.9 mt -61.78 -60.89 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.039 0 CA-C-N 115.725 -0.671 . . . . 1.26 110.121 -179.683 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 60.9 tp -56.87 -31.4 64.78 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 123.839 0.855 . . . . 2.3 112.228 -177.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -76.89 -40.86 45.92 Favored 'General case' 0 C--N 1.307 -1.257 0 CA-C-O 121.039 0.447 . . . . 1.32 111.656 -179.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 37.3 m-70 -94.32 4.45 53.85 Favored 'General case' 0 C--N 1.314 -0.96 0 N-CA-C 113.389 0.885 . . . . 3.57 113.389 -173.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -104.24 165.02 11.32 Favored 'General case' 0 C--N 1.308 -1.204 0 CA-C-O 120.86 0.362 . . . . 2.23 111.076 -179.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.31 -1.146 0 N-CA-C 106.87 -1.53 . . . . 3.38 106.87 176.271 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' SXO . . . . . 0.532 ' H5A' ' CE1' ' A' ' 32' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.503 -0.833 0 N-CA-C 109.748 -0.464 . . . . 2.71 109.748 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.462 ' HB1' ' HB2' ' A' ' 6' ' ' GLU . . . -102.77 154.91 18.71 Favored 'General case' 0 C--N 1.294 -1.819 0 N-CA-C 107.681 -1.229 . . . . 1.46 107.681 177.788 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.448 ' O ' HG12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -92.29 179.68 5.48 Favored 'General case' 0 C--N 1.297 -1.688 0 C-N-CA 118.531 -1.267 . . . . 2.11 109.929 -178.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -46.01 -47.81 16.77 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.37 1.068 . . . . 2.34 112.991 -174.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -59.84 -53.24 60.18 Favored 'General case' 0 C--N 1.307 -1.254 0 C-N-CA 123.503 0.721 . . . . 3.05 110.131 -177.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.462 ' HB2' ' HB1' ' A' ' 2' ' ' ALA . 15.2 mm-40 -67.75 -30.83 70.39 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.341 -0.845 . . . . 2.53 110.888 -179.497 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.448 HG12 ' O ' ' A' ' 3' ' ' THR . 30.3 mm -65.36 -48.45 83.15 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.103 0 CA-C-N 116.074 -0.512 . . . . 1.16 109.641 177.434 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.539 ' HA ' HD11 ' A' ' 11' ' ' LEU . 82.5 t -58.42 -39.7 75.63 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 CA-C-O 120.822 0.344 . . . . 1.22 110.429 177.4 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.86 -37.12 75.79 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 115.962 -0.563 . . . . 1.24 110.564 176.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -75.9 -40.11 31.55 Favored Glycine 0 C--O 1.216 -1.003 0 N-CA-C 111.254 -0.739 . . . . 0.38 111.254 177.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.539 HD11 ' HA ' ' A' ' 8' ' ' VAL . 99.2 mt -55.43 -44.23 76.11 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.25 0.62 . . . . 1.12 110.634 179.142 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.3 -20.23 66.31 Favored 'General case' 0 N--CA 1.433 -1.275 0 CA-C-N 115.366 -0.834 . . . . 1.1 112.875 -178.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -62.74 -53.88 47.6 Favored 'General case' 0 CA--C 1.5 -0.959 0 N-CA-C 108.439 -0.949 . . . . 2.48 108.439 177.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.606 ' HB ' HG12 ' A' ' 46' ' ' VAL . 2.9 mp -69.51 -40.49 79.77 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.059 0 CA-C-N 115.506 -0.77 . . . . 1.14 109.105 -177.145 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.603 HG11 HG23 ' A' ' 38' ' ' VAL . 61.1 t -63.06 -36.13 74.59 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.336 0 C-N-CA 120.552 -0.459 . . . . 1.11 111.371 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.431 ' HA ' ' H ' ' A' ' 21' ' ' ILE . 24.7 t-20 -72.42 -39.13 68.12 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 122.046 -0.409 . . . . 0.95 110.309 175.458 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -63.08 -45.68 90.99 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.741 -0.663 . . . . 2.11 110.255 179.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 35.6 mm -80.59 -54.27 10.91 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.93 0 CA-C-N 115.726 -0.67 . . . . 1.33 112.672 -176.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -105.14 -35.94 7.43 Favored 'General case' 0 C--N 1.304 -1.371 0 C-N-CA 120.198 -0.601 . . . . 1.22 112.33 -172.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.74 65.46 1.05 Allowed Glycine 0 C--N 1.306 -1.138 0 C-N-CA 119.991 -1.1 . . . . 0.93 112.573 178.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.477 ' CG1' HG12 ' A' ' 15' ' ' VAL . 2.5 pp -104.08 159.11 30.38 Favored Pre-proline 0 C--N 1.305 -1.348 0 CA-C-N 115.682 -0.259 . . . . 1.31 110.619 178.48 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_exo -72.5 133.58 20.91 Favored 'Trans proline' 0 N--CA 1.446 -1.316 0 C-N-CA 121.746 1.631 . . . . 0.86 108.415 171.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 10.6 p -66.34 -21.63 28.96 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.149 0 CA-C-O 121.458 0.647 . . . . 2.05 112.248 -174.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.443 ' O ' ' HE2' ' A' ' 27' ' ' LYS . 0.8 OUTLIER -93.19 -4.44 52.06 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-N 116.136 -0.484 . . . . 2.03 111.266 179.13 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -82.8 -33.98 27.12 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-O 121.488 0.661 . . . . 1.07 109.218 -179.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 40.0 t -76.98 90.48 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 114.894 -1.048 . . . . 1.46 110.444 -178.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.443 ' HE2' ' O ' ' A' ' 24' ' ' GLU . 74.7 mmtt -113.08 179.89 3.83 Favored 'General case' 0 C--N 1.303 -1.425 0 CA-C-N 114.662 -1.154 . . . . 3.36 108.24 175.788 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.521 HD11 ' HA2' ' A' ' 70' ' ' GLY . 3.7 mm? -67.58 -17.07 64.5 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 115.483 1.66 . . . . 1.64 115.483 -172.774 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -91.08 13.6 16.42 Favored 'General case' 0 C--N 1.311 -1.1 0 CA-C-O 121.069 0.461 . . . . 2.47 111.414 178.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 29.5 mmmt -103.55 143.23 33.02 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 116.115 -0.493 . . . . 1.67 109.733 179.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.513 ' OG ' ' HB3' ' A' ' 34' ' ' ASP . 11.5 p -114.1 156.73 23.64 Favored 'General case' 0 C--N 1.286 -2.155 0 N-CA-C 107.122 -1.436 . . . . 1.72 107.122 172.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.616 ' HA ' HD11 ' A' ' 36' ' ' LEU . 96.3 m-85 -70.45 -36.23 73.82 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 114.206 1.187 . . . . 1.03 114.206 -168.169 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.539 HG22 ' HB3' ' A' ' 40' ' ' SER . 10.6 t -122.51 11.26 9.89 Favored 'General case' 0 N--CA 1.422 -1.844 0 C-N-CA 119.47 -0.892 . . . . 1.85 111.913 -176.295 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.513 ' HB3' ' OG ' ' A' ' 31' ' ' SER . 36.2 t70 -117.46 -50.52 2.54 Favored 'General case' 0 C--N 1.305 -1.357 0 C-N-CA 119.215 -0.994 . . . . 2.31 111.455 177.249 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -90.14 -21.14 22.38 Favored 'General case' 0 CA--C 1.493 -1.215 0 C-N-CA 120.388 -0.525 . . . . 1.67 110.502 178.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.616 HD11 ' HA ' ' A' ' 32' ' ' PHE . 92.8 mt -99.06 171.51 7.99 Favored 'General case' 0 N--CA 1.428 -1.544 0 N-CA-C 109.15 -0.685 . . . . 1.23 109.15 178.38 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -99.33 12.13 37.13 Favored 'General case' 0 C--N 1.309 -1.157 0 CA-C-O 122.758 1.266 . . . . 2.15 109.299 -176.045 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.603 HG23 HG11 ' A' ' 15' ' ' VAL . 23.2 t -85.14 113.93 24.43 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.972 0 CA-C-N 114.266 -1.334 . . . . 2.86 108.797 -176.516 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.457 ' O ' ' HB2' ' A' ' 42' ' ' SER . 22.1 m-20 -62.01 144.17 55.53 Favored 'General case' 0 C--N 1.306 -1.305 0 N-CA-C 107.824 -1.176 . . . . 2.96 107.824 174.155 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.539 ' HB3' HG22 ' A' ' 33' ' ' THR . 26.4 p -62.79 -40.15 96.45 Favored 'General case' 0 C--N 1.285 -2.226 0 N-CA-C 112.633 0.605 . . . . 1.56 112.633 -175.421 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.0 mp -65.54 -19.95 66.13 Favored 'General case' 0 CA--C 1.552 1.035 0 CA-C-O 121.812 0.815 . . . . 1.81 110.17 177.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.457 ' HB2' ' O ' ' A' ' 39' ' ' ASP . 50.9 m -83.95 -32.1 25.23 Favored 'General case' 0 N--CA 1.439 -0.975 0 CA-C-N 115.607 -0.724 . . . . 1.5 110.465 176.746 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.516 ' HE2' ' H5A' ' A' ' 101' ' ' SXO . 15.7 ttp -65.86 -21.25 66.45 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.374 0.607 . . . . 1.2 109.784 178.062 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.487 ' HA ' HG12 ' A' ' 47' ' ' VAL . 31.1 t -59.99 -23.51 27.18 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.233 0 CA-C-N 116.094 -0.503 . . . . 1.3 110.346 175.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 -80.19 -22.93 41.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.865 0.84 . . . . 2.06 109.321 176.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.606 HG12 ' HB ' ' A' ' 14' ' ' ILE . 98.2 t -80.62 -50.66 16.9 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.964 0 CA-C-N 114.842 -1.072 . . . . 2.03 109.658 -177.763 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.487 HG12 ' HA ' ' A' ' 44' ' ' VAL . 3.8 p -49.65 -50.16 18.17 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 N-CA-C 113.734 1.013 . . . . 1.22 113.734 -178.233 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -56.78 -51.11 71.38 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.309 0 N-CA-C 108.226 -1.028 . . . . 1.35 108.226 -179.436 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.473 ' O ' ' HG3' ' A' ' 53' ' ' ARG . . . -63.94 -29.45 70.62 Favored 'General case' 0 N--CA 1.423 -1.821 0 CA-C-N 113.623 -1.626 . . . . 1.09 111.426 -176.476 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.7 -39.53 66.92 Favored 'General case' 0 C--N 1.308 -1.235 0 CA-C-N 116.156 -0.474 . . . . 1.07 111.298 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -54.67 -48.19 72.67 Favored 'General case' 0 C--O 1.223 -0.292 0 O-C-N 123.348 0.405 . . . . 0.8 110.299 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -69.82 -43.84 71.17 Favored 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 112.555 0.576 . . . . 0.96 112.555 -178.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.473 ' HG3' ' O ' ' A' ' 49' ' ' ALA . 89.3 mtt180 -67.29 -37.99 84.3 Favored 'General case' 0 N--CA 1.462 0.165 0 C-N-CA 120.556 -0.458 . . . . 4.41 112.04 -176.102 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -95.24 0.56 54.05 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 112.191 0.441 . . . . 0.49 112.191 -177.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 61.32 36.92 17.42 Favored 'General case' 0 N--CA 1.486 1.357 0 CA-C-O 121.635 0.731 . . . . 1.95 110.729 -179.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.665 HG23 ' H ' ' A' ' 57' ' ' LYS . 8.7 p -122.49 -171.85 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.452 0 CA-C-N 115.583 -0.735 . . . . 1.96 109.487 -175.002 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.665 ' H ' HG23 ' A' ' 56' ' ' VAL . 68.5 mttm -138.18 131.31 30.15 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 106.141 -1.8 . . . . 3.77 106.141 175.769 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.571 HD11 ' H8 ' ' A' ' 101' ' ' SXO . 52.7 mt -133.89 88.61 31.97 Favored Pre-proline 0 C--N 1.298 -1.664 0 N-CA-C 108.263 -1.014 . . . . 1.24 108.263 -178.728 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.407 ' O ' HG21 ' A' ' 63' ' ' VAL . 26.6 Cg_exo -65.43 143.47 76.21 Favored 'Trans proline' 0 N--CA 1.453 -0.866 0 C-N-CA 122.961 2.441 . . . . 0.79 112.137 -178.693 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -58.24 -24.27 58.71 Favored 'General case' 0 C--N 1.317 -0.814 0 C-N-CA 124.242 1.017 . . . . 2.3 113.36 -177.117 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -74.63 -41.48 60.32 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 108.825 -0.806 . . . . 2.38 108.825 177.003 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.487 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 22.8 m-20 -68.79 -33.46 73.91 Favored 'General case' 0 CA--C 1.498 -1.027 0 CA-C-N 115.929 -0.578 . . . . 1.52 110.642 177.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.449 HG13 ' HE2' ' A' ' 43' ' ' MET . 52.7 t -52.89 -54.48 16.33 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.525 0 O-C-N 124.06 0.85 . . . . 1.42 109.9 173.601 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 39.3 mtmm -67.04 -11.85 58.25 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 112.833 0.679 . . . . 1.93 112.833 -177.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -91.94 -20.29 21.55 Favored 'General case' 0 C--N 1.307 -1.254 0 CA-C-O 121.282 0.563 . . . . 2.65 109.685 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.534 HD12 ' HA ' ' A' ' 72' ' ' ALA . 89.0 mt -88.07 166.03 14.72 Favored 'General case' 0 N--CA 1.44 -0.97 0 N-CA-C 109.245 -0.65 . . . . 1.24 109.245 -178.424 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.402 ' HB3' ' HE3' ' A' ' 67' ' ' LYS . 4.4 ptpp? -137.43 -56.26 0.7 Allowed 'General case' 0 C--N 1.311 -1.107 0 N-CA-C 113.924 1.083 . . . . 3.26 113.924 -176.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.458 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 68.9 p -105.82 -179.87 4.07 Favored 'General case' 0 C--N 1.309 -1.174 0 O-C-N 121.435 -0.791 . . . . 1.17 109.974 -179.099 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.404 HG13 ' CZ ' ' A' ' 32' ' ' PHE . 19.6 m -77.24 -22.75 14.48 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.948 0 N-CA-C 109.444 -0.576 . . . . 1.35 109.444 176.399 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.521 ' HA2' HD11 ' A' ' 28' ' ' LEU . . . -76.17 -36.61 39.72 Favored Glycine 0 CA--C 1.496 -1.129 0 N-CA-C 109.793 -1.323 . . . . 0.46 109.793 177.543 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.419 ' OD2' ' HA ' ' A' ' 66' ' ' LEU . 21.5 t0 -72.82 -34.49 66.88 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-N 114.835 -0.683 . . . . 1.62 110.278 177.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.534 ' HA ' HD12 ' A' ' 66' ' ' LEU . . . -76.01 -37.93 57.88 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.912 -0.585 . . . . 1.21 111.856 -177.695 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.428 ' HA ' HD13 ' A' ' 76' ' ' ILE . 6.0 p -63.58 -24.55 67.85 Favored 'General case' 0 N--CA 1.44 -0.934 0 N-CA-C 113.808 1.04 . . . . 1.16 113.808 -177.371 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -69.98 -39.14 76.12 Favored 'General case' 0 C--O 1.211 -0.948 0 N-CA-C 110.121 -0.325 . . . . 4.01 110.121 178.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 78.4 t80 -68.08 -34.71 76.94 Favored 'General case' 0 C--O 1.25 1.121 0 CA-C-O 121.931 0.872 . . . . 1.09 109.943 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.428 HD13 ' HA ' ' A' ' 73' ' ' THR . 82.2 mt -68.3 -57.44 9.13 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.231 0 CA-C-N 114.977 -1.011 . . . . 1.26 108.855 177.678 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.486 ' HA ' ' CG ' ' A' ' 80' ' ' GLN . 51.7 tp -59.47 -24.42 63.55 Favored 'General case' 0 C--N 1.345 0.406 0 C-N-CA 123.739 0.816 . . . . 2.3 111.504 -178.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -60.14 -36.77 78.27 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 115.212 -0.904 . . . . 1.32 111.142 176.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.442 ' HB2' HG22 ' A' ' 56' ' ' VAL . 76.6 m80 -102.23 -62.56 1.25 Allowed 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 120.511 -0.475 . . . . 3.57 111.207 -175.164 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.526 ' HA ' ' OE1' ' A' ' 80' ' ' GLN . 9.7 mm-40 46.24 -174.45 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 116.262 1.949 . . . . 2.23 116.262 -179.709 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.431 -1.379 0 CA-C-N 114.398 -1.274 . . . . 3.38 107.658 175.262 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' SXO . . . . . 0.571 ' H8 ' HD11 ' A' ' 58' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.508 -0.65 0 N-CA-C 108.988 -0.745 . . . . 2.71 108.988 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -104.89 140.93 37.41 Favored 'General case' 0 CA--C 1.489 -1.401 0 CA-C-O 121.553 0.692 . . . . 1.46 110.01 179.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.512 ' O ' HG12 ' A' ' 7' ' ' ILE . 25.0 p -105.12 -174.96 2.66 Favored 'General case' 0 N--CA 1.409 -2.476 0 CA-C-N 114.859 -1.064 . . . . 2.11 112.03 -178.325 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -46.46 -46.42 18.86 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 115.598 1.703 . . . . 2.34 115.598 -171.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -74.91 -25.55 59.0 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-O 121.649 0.738 . . . . 3.05 110.624 -174.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -83.82 -36.79 23.24 Favored 'General case' 0 C--N 1.299 -1.623 0 N-CA-C 108.532 -0.914 . . . . 2.53 108.532 178.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.512 HG12 ' O ' ' A' ' 3' ' ' THR . 35.8 mm -65.73 -59.6 3.82 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.98 0 CA-C-N 114.513 -1.222 . . . . 1.16 111.156 -179.304 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 89.2 t -55.16 -48.0 76.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 O-C-N 122.992 0.182 . . . . 1.22 110.739 -177.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.451 ' O ' ' HG2' ' A' ' 13' ' ' GLU . . . -55.13 -45.6 75.6 Favored 'General case' 0 C--O 1.22 -0.474 0 O-C-N 123.52 0.512 . . . . 1.24 110.969 177.09 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.428 ' HA3' ' CZ ' ' A' ' 54' ' ' PHE . . . -66.21 -40.3 94.8 Favored Glycine 0 C--O 1.221 -0.718 0 N-CA-C 111.058 -0.817 . . . . 0.38 111.058 -179.247 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 97.2 mt -58.34 -47.27 84.29 Favored 'General case' 0 CA--C 1.511 -0.527 0 N-CA-C 109.547 -0.538 . . . . 1.12 109.547 176.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.79 -25.63 64.8 Favored 'General case' 0 C--O 1.201 -1.474 0 CA-C-N 115.474 -0.785 . . . . 1.1 111.897 -179.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.451 ' HG2' ' O ' ' A' ' 9' ' ' ALA . 33.8 mm-40 -59.8 -49.64 76.91 Favored 'General case' 0 C--O 1.239 0.537 0 N-CA-C 109.802 -0.444 . . . . 2.48 109.802 174.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.834 ' HB ' HG22 ' A' ' 46' ' ' VAL . 5.2 mp -73.51 -45.73 50.75 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.977 0 C-N-CA 119.963 -0.695 . . . . 1.14 109.752 177.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.77 HG23 HG21 ' A' ' 46' ' ' VAL . 91.1 t -60.92 -23.71 30.43 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.159 0 N-CA-C 112.554 0.575 . . . . 1.11 112.554 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -65.59 -38.48 89.6 Favored 'General case' 0 C--N 1.313 -0.996 0 O-C-N 121.463 -0.773 . . . . 0.95 110.718 176.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -76.61 -32.61 58.17 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-O 121.232 0.539 . . . . 2.11 109.84 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 65.8 mt -81.63 -53.49 11.98 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.812 0 CA-C-N 115.565 -0.743 . . . . 1.33 112.408 -177.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -100.8 -30.52 11.65 Favored 'General case' 0 C--N 1.314 -0.962 0 N-CA-C 112.32 0.489 . . . . 1.22 112.32 -175.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.71 47.07 5.5 Favored Glycine 0 C--N 1.31 -0.893 0 C-N-CA 120.372 -0.918 . . . . 0.93 111.219 -177.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 2.3 pp -106.01 157.46 34.73 Favored Pre-proline 0 C--N 1.31 -1.139 0 N-CA-C 111.612 0.227 . . . . 1.31 111.612 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_exo -75.62 135.37 17.88 Favored 'Trans proline' 0 N--CA 1.449 -1.14 0 C-N-CA 122.641 2.227 . . . . 0.86 109.431 174.009 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 32.8 m -68.13 -20.36 25.62 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.175 0 N-CA-C 112.425 0.528 . . . . 2.05 112.425 -176.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -94.74 -5.14 46.02 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-O 120.92 0.39 . . . . 2.03 110.926 178.657 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 39.2 t70 -82.49 -34.52 27.99 Favored 'General case' 0 CA--C 1.496 -1.108 0 N-CA-C 108.296 -1.002 . . . . 1.07 108.296 178.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.704 ' HA ' ' HG3' ' A' ' 30' ' ' LYS . 41.8 t -79.17 88.75 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.338 0 CA-C-N 114.275 -1.33 . . . . 1.46 109.535 178.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -99.29 -178.37 3.89 Favored 'General case' 0 C--N 1.304 -1.407 0 N-CA-C 107.218 -1.401 . . . . 3.36 107.218 172.131 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.587 ' HA ' HG21 ' A' ' 69' ' ' VAL . 5.6 mp -64.88 -20.88 66.66 Favored 'General case' 0 C--N 1.312 -1.062 0 N-CA-C 115.35 1.611 . . . . 1.64 115.35 -169.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -85.96 -0.92 56.68 Favored 'General case' 0 C--N 1.311 -1.088 0 C-N-CA 120.486 -0.486 . . . . 2.47 111.398 -179.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.704 ' HG3' ' HA ' ' A' ' 26' ' ' VAL . 28.4 mmtm -80.45 132.08 35.67 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 112.16 0.43 . . . . 1.67 112.16 -179.077 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.4 ' HB2' HG21 ' A' ' 68' ' ' THR . 30.7 t -111.12 149.45 30.83 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 108.088 -1.078 . . . . 1.72 108.088 173.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.436 ' O ' ' HB2' ' A' ' 36' ' ' LEU . 97.8 m-85 -64.73 -54.59 29.12 Favored 'General case' 0 C--O 1.22 -0.464 0 N-CA-C 113.493 0.923 . . . . 1.03 113.493 -169.62 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.604 HG23 ' HB3' ' A' ' 40' ' ' SER . 8.0 t -128.27 71.99 1.41 Allowed 'General case' 0 C--N 1.29 -1.983 0 CA-C-O 122.958 1.361 . . . . 1.85 109.3 178.198 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -170.19 -42.93 0.02 OUTLIER 'General case' 0 C--N 1.31 -1.15 0 CA-C-N 112.958 -1.928 . . . . 2.31 107.543 -176.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -107.89 -44.87 4.11 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 107.874 -1.158 . . . . 1.67 107.874 176.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.682 HD22 ' HD2' ' A' ' 30' ' ' LYS . 79.0 mt -90.7 174.61 7.39 Favored 'General case' 0 N--CA 1.443 -0.822 0 CA-C-N 114.707 -1.133 . . . . 1.23 110.202 178.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -109.04 29.26 7.66 Favored 'General case' 0 C--N 1.315 -0.928 0 C-N-CA 123.786 0.834 . . . . 2.15 109.599 -178.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.464 ' O ' ' HB ' ' A' ' 33' ' ' THR . 47.1 t -77.93 118.1 24.31 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.118 0 CA-C-N 115.115 -0.948 . . . . 2.86 109.038 -178.659 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.402 ' HB2' ' HB2' ' A' ' 42' ' ' SER . 9.2 m-20 -52.66 130.85 33.59 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 108.86 -0.793 . . . . 2.96 108.86 175.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.604 ' HB3' HG23 ' A' ' 33' ' ' THR . 70.3 p -66.66 -49.49 65.99 Favored 'General case' 0 C--N 1.299 -1.626 0 CA-C-N 116.369 -0.378 . . . . 1.56 111.735 -173.108 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.7 mp -60.67 -26.43 67.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.685 0.755 . . . . 1.81 110.199 178.11 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.402 ' HB2' ' HB2' ' A' ' 39' ' ' ASP . 32.4 m -82.9 -24.32 33.18 Favored 'General case' 0 N--CA 1.432 -1.374 0 CA-C-N 115.558 -0.746 . . . . 1.5 110.892 179.455 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.482 ' O ' HG11 ' A' ' 46' ' ' VAL . 12.5 tmm? -70.85 -25.56 62.88 Favored 'General case' 0 C--O 1.215 -0.738 0 CA-C-O 122.142 0.973 . . . . 1.2 108.444 177.325 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.464 ' HA ' HG11 ' A' ' 47' ' ' VAL . 33.2 t -61.61 -27.92 43.06 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.739 0 CA-C-O 122.067 0.937 . . . . 1.3 108.792 175.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -80.09 -20.41 45.16 Favored 'General case' 0 N--CA 1.424 -1.728 0 CA-C-N 114.668 -1.151 . . . . 2.06 111.314 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.834 HG22 ' HB ' ' A' ' 14' ' ' ILE . 12.6 p -87.95 -35.64 8.43 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.05 0 C-N-CA 119.825 -0.75 . . . . 2.03 110.053 175.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.52 HG23 HG21 ' A' ' 63' ' ' VAL . 12.9 p -66.18 -40.7 87.71 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 C-N-CA 119.872 -0.731 . . . . 1.22 111.36 179.568 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 11.9 p -65.58 -34.53 71.04 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 CA-C-O 121.353 0.596 . . . . 1.35 110.036 177.098 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -75.28 -26.86 59.1 Favored 'General case' 0 C--O 1.21 -1.004 0 CA-C-N 115.982 -0.554 . . . . 1.09 110.335 178.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.38 -34.29 70.28 Favored 'General case' 0 C--N 1.308 -1.225 0 CA-C-N 116.57 -0.286 . . . . 1.07 110.323 179.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.578 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 39.8 mt-10 -59.1 -41.36 87.94 Favored 'General case' 0 C--O 1.217 -0.646 0 O-C-N 123.607 0.567 . . . . 0.8 110.69 179.011 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -83.75 -35.78 24.11 Favored 'General case' 0 C--N 1.307 -1.244 0 CA-C-N 116.16 -0.473 . . . . 0.96 111.839 178.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.5 tpm_? -67.99 -49.24 62.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.165 0.507 . . . . 4.41 111.269 -177.009 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.44 ' HB2' HG11 ' A' ' 56' ' ' VAL . 51.5 m-85 -97.66 -5.39 35.45 Favored 'General case' 0 C--N 1.306 -1.32 0 CA-C-N 115.95 -0.568 . . . . 0.49 111.165 -175.741 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.446 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 30.7 t70 76.57 -12.45 1.04 Allowed 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 124.631 1.172 . . . . 1.95 112.175 178.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.613 HG12 HG22 ' A' ' 76' ' ' ILE . 6.4 p -83.07 110.76 18.44 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.258 0 CA-C-O 121.837 0.827 . . . . 1.96 110.514 178.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 33.5 mtmm -75.27 129.21 37.05 Favored 'General case' 0 C--N 1.289 -2.034 0 CA-C-N 115.316 -0.856 . . . . 3.77 109.356 179.089 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 46.0 mt -122.31 103.77 38.37 Favored Pre-proline 0 C--N 1.304 -1.373 0 N-CA-C 108.868 -0.79 . . . . 1.24 108.868 -172.405 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.497 ' O ' HG23 ' A' ' 63' ' ' VAL . 27.6 Cg_exo -65.87 152.45 81.45 Favored 'Trans proline' 0 CA--C 1.534 0.499 0 C-N-CA 123.801 3.001 . . . . 0.79 113.341 -178.733 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -52.66 -44.83 66.43 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 125.257 1.423 . . . . 2.3 111.417 -179.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -63.69 -25.3 68.14 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.081 -0.963 . . . . 2.38 111.806 179.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.418 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 54.0 m-20 -86.51 -37.32 18.34 Favored 'General case' 0 CA--C 1.503 -0.864 0 O-C-N 122.252 -0.28 . . . . 1.52 111.23 178.337 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.52 HG21 HG23 ' A' ' 47' ' ' VAL . 64.6 t -54.44 -55.24 15.96 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 123.111 0.564 . . . . 1.42 109.535 177.559 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -66.23 -12.06 53.85 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.408 -0.815 . . . . 1.93 112.347 -178.172 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -95.81 -3.54 45.44 Favored 'General case' 0 C--N 1.308 -1.199 0 CA-C-O 121.113 0.482 . . . . 2.65 110.092 -175.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.457 HD11 ' HA ' ' A' ' 72' ' ' ALA . 78.4 mt -106.95 175.74 5.4 Favored 'General case' 0 C--N 1.313 -1.009 0 C-N-CA 120.399 -0.52 . . . . 1.24 110.398 -178.806 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 47.6 pttt -139.97 -59.6 0.55 Allowed 'General case' 0 N--CA 1.438 -1.053 0 N-CA-C 113.262 0.838 . . . . 3.26 113.262 178.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.4 HG21 ' HB2' ' A' ' 31' ' ' SER . 68.3 p -98.97 -179.26 4.21 Favored 'General case' 0 C--N 1.309 -1.173 0 O-C-N 121.457 -0.777 . . . . 1.17 110.86 -179.42 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.587 HG21 ' HA ' ' A' ' 28' ' ' LEU . 35.7 m -79.48 -13.11 13.31 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.669 0 CA-C-O 121.395 0.617 . . . . 1.35 109.455 173.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -75.64 -25.83 66.66 Favored Glycine 0 N--CA 1.435 -1.413 0 N-CA-C 109.087 -1.605 . . . . 0.46 109.087 172.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.735 ' HA ' ' HE2' ' A' ' 74' ' ' LYS . 18.8 m-20 -80.67 -34.95 34.37 Favored 'General case' 0 CA--C 1.505 -0.755 0 N-CA-C 109.628 -0.508 . . . . 1.62 109.628 174.602 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.481 ' HB3' ' H8 ' ' A' ' 101' ' ' SXO . . . -63.18 -53.24 56.27 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 115.238 -0.892 . . . . 1.21 110.063 -179.567 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.5 p -57.0 -51.0 70.99 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 115.711 -0.677 . . . . 1.16 110.606 177.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.735 ' HE2' ' HA ' ' A' ' 71' ' ' ASP . 37.6 ttpt -49.06 -42.74 39.67 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 124.432 1.093 . . . . 4.01 111.803 177.639 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -73.05 -50.17 24.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.091 0.472 . . . . 1.09 110.742 178.371 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.613 HG22 HG12 ' A' ' 56' ' ' VAL . 56.2 mt -53.9 -57.71 5.03 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.226 0 CA-C-N 115.456 -0.793 . . . . 1.26 112.168 -178.623 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 10.9 mp -58.84 -21.78 57.49 Favored 'General case' 0 C--N 1.317 -0.832 0 C-N-CA 123.641 0.776 . . . . 2.3 112.272 179.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -81.62 -45.7 15.43 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-O 121.594 0.711 . . . . 1.32 110.041 177.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 12.5 t-80 -76.76 -60.45 2.35 Favored 'General case' 0 C--N 1.31 -1.151 0 CA-C-N 114.659 -1.155 . . . . 3.57 110.661 -174.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.411 ' HA ' ' OE1' ' A' ' 80' ' ' GLN . 14.1 mm-40 49.8 105.43 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.565 1.546 . . . . 2.23 113.209 -175.483 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.446 ' HA ' ' O ' ' A' ' 55' ' ' ASP . . . . . . . . 0 C--O 1.254 1.307 0 C-N-CA 124.608 1.163 . . . . 3.38 110.844 -176.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' SXO . . . . . 0.481 ' H8 ' ' HB3' ' A' ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.225 0 CA-C-O 120.499 0.19 . . . . 2.71 111.008 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -81.04 140.34 35.2 Favored 'General case' 0 N--CA 1.445 -0.704 0 N-CA-C 106.479 -1.675 . . . . 1.46 106.479 174.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.469 ' O ' HG12 ' A' ' 7' ' ' ILE . 1.2 m -97.09 172.86 7.57 Favored 'General case' 0 C--N 1.295 -1.767 0 C-N-CA 119.031 -1.068 . . . . 2.11 112.771 -171.447 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.448 ' O ' HG23 ' A' ' 8' ' ' VAL . 62.2 tt0 -40.01 -56.31 1.87 Allowed 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 126.452 1.901 . . . . 2.34 115.345 -170.3 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -66.23 -37.74 86.25 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 118.816 0.734 . . . . 3.05 111.438 -177.179 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -74.51 -27.52 60.58 Favored 'General case' 0 N--CA 1.438 -1.05 0 N-CA-C 109.077 -0.712 . . . . 2.53 109.077 -178.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.469 HG12 ' O ' ' A' ' 3' ' ' THR . 37.0 mm -68.22 -48.8 72.05 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.105 0 N-CA-C 108.594 -0.891 . . . . 1.16 108.594 173.577 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.455 ' HA ' HD11 ' A' ' 11' ' ' LEU . 88.8 t -53.19 -46.87 56.56 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 CA-C-N 115.881 -0.599 . . . . 1.22 110.233 177.323 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.539 ' O ' ' HG3' ' A' ' 13' ' ' GLU . . . -53.31 -46.6 69.46 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 123.852 0.72 . . . . 1.24 110.807 177.489 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.8 -39.95 93.63 Favored Glycine 0 N--CA 1.444 -0.828 0 N-CA-C 111.529 -0.628 . . . . 0.38 111.529 -179.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.455 HD11 ' HA ' ' A' ' 8' ' ' VAL . 91.0 mt -57.86 -51.66 68.69 Favored 'General case' 0 C--O 1.243 0.744 0 C-N-CA 123.257 0.623 . . . . 1.12 111.018 178.642 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.33 -22.35 66.92 Favored 'General case' 0 N--CA 1.443 -0.803 0 CA-C-N 115.371 -0.831 . . . . 1.1 112.797 -176.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.539 ' HG3' ' O ' ' A' ' 9' ' ' ALA . 42.7 mt-10 -62.78 -49.98 72.83 Favored 'General case' 0 C--O 1.243 0.761 0 CA-C-O 120.737 0.303 . . . . 2.48 110.523 178.102 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.549 HG22 ' HA ' ' A' ' 46' ' ' VAL . 3.6 mp -71.39 -35.4 57.09 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 N-CA-C 109.281 -0.637 . . . . 1.14 109.281 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 11' ' ' LEU . 21.5 t -69.42 -26.46 31.38 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.213 0 C-N-CA 120.215 -0.594 . . . . 1.11 110.946 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.472 ' O ' ' HA2' ' A' ' 20' ' ' GLY . 24.8 t-20 -74.24 -28.23 61.14 Favored 'General case' 0 C--O 1.214 -0.794 0 O-C-N 121.785 -0.572 . . . . 0.95 110.26 175.685 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -77.46 -52.36 9.23 Favored 'General case' 0 C--N 1.304 -1.386 0 CA-C-O 121.442 0.639 . . . . 2.11 109.741 178.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.595 HD11 HG23 ' A' ' 46' ' ' VAL . 48.3 mt -73.02 -52.41 22.32 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 CA-C-N 115.533 -0.758 . . . . 1.33 112.637 -176.46 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -97.25 -41.86 8.08 Favored 'General case' 0 C--N 1.31 -1.144 0 CA-C-O 120.999 0.428 . . . . 1.22 111.095 -177.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.472 ' HA2' ' O ' ' A' ' 16' ' ' ASN . . . 93.88 43.28 3.9 Favored Glycine 0 C--N 1.309 -0.961 0 C-N-CA 120.155 -1.022 . . . . 0.93 111.821 -179.081 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 2.4 pp -86.55 159.63 52.36 Favored Pre-proline 0 C--N 1.307 -1.251 0 N-CA-C 111.559 0.207 . . . . 1.31 111.559 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -70.4 133.58 24.72 Favored 'Trans proline' 0 N--CA 1.446 -1.306 0 C-N-CA 121.922 1.748 . . . . 0.86 108.6 171.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.9 m -66.36 -26.5 37.96 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.269 0 C-N-CA 120.43 -0.508 . . . . 2.05 112.271 -177.05 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -83.39 -7.67 59.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.838 0.351 . . . . 2.03 110.88 178.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.42 ' O ' ' HE3' ' A' ' 30' ' ' LYS . 25.9 t70 -78.11 -39.71 40.47 Favored 'General case' 0 CA--C 1.501 -0.917 0 N-CA-C 109.346 -0.612 . . . . 1.07 109.346 -177.757 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 52.6 t -71.01 91.34 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.036 0 CA-C-N 114.658 -1.155 . . . . 1.46 110.793 -178.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -113.77 169.83 8.7 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 107.708 -1.219 . . . . 3.36 107.708 173.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 55.3 mt -52.04 -31.12 28.58 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 114.733 1.382 . . . . 1.64 114.733 -170.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -79.24 -5.1 53.58 Favored 'General case' 0 C--N 1.312 -1.032 0 N-CA-C 112.708 0.633 . . . . 2.47 112.708 -179.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.559 ' HB3' ' HG ' ' A' ' 36' ' ' LEU . 73.8 mmtt -87.17 122.22 30.68 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 120.768 0.318 . . . . 1.67 111.387 -178.04 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.627 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 24.1 t -96.22 147.83 23.36 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 107.68 -1.23 . . . . 1.72 107.68 171.768 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.523 ' CZ ' HG13 ' A' ' 69' ' ' VAL . 91.9 m-85 -59.01 -36.96 75.81 Favored 'General case' 0 CA--C 1.513 -0.457 0 N-CA-C 113.316 0.858 . . . . 1.03 113.316 -170.403 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.8 t -136.63 76.2 1.58 Allowed 'General case' 0 N--CA 1.42 -1.929 0 CA-C-O 122.671 1.224 . . . . 1.85 110.999 177.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -173.54 -54.14 0.02 OUTLIER 'General case' 0 CA--C 1.488 -1.438 0 CA-C-N 113.252 -1.795 . . . . 2.31 106.508 175.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -95.97 -47.39 6.13 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 114.537 -1.21 . . . . 1.67 108.168 176.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.559 ' HG ' ' HB3' ' A' ' 30' ' ' LYS . 76.6 mt -77.7 156.29 30.76 Favored 'General case' 0 CA--C 1.494 -1.186 0 CA-C-N 115.562 -0.744 . . . . 1.23 110.287 -179.593 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -102.92 71.75 1.16 Allowed 'General case' 0 C--N 1.297 -1.694 0 CA-C-O 122.402 1.096 . . . . 2.15 109.315 -174.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 45.7 t -126.91 145.07 35.12 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.701 0 N-CA-C 105.409 -2.071 . . . . 2.86 105.409 175.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -59.65 -77.55 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 118.292 0.496 . . . . 2.96 110.37 -179.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 97.0 p -179.17 -72.83 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.329 0.652 . . . . 1.56 111.843 169.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.671 ' HA ' H37A ' A' ' 101' ' ' SXO . 9.2 mp -58.64 -23.68 59.6 Favored 'General case' 0 N--CA 1.489 1.475 0 CA-C-O 121.993 0.902 . . . . 1.81 111.374 -179.142 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.0 m -63.75 -23.81 67.51 Favored 'General case' 0 C--N 1.295 -1.772 0 CA-C-N 115.273 -0.876 . . . . 1.5 111.75 178.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.47 ' HE3' ' H3 ' ' A' ' 101' ' ' SXO . 11.2 tmm? -70.17 -21.97 63.0 Favored 'General case' 0 C--O 1.21 -1.004 0 N-CA-C 109.056 -0.72 . . . . 1.2 109.056 178.637 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.519 ' HA ' HG13 ' A' ' 47' ' ' VAL . 31.3 t -64.21 -23.68 33.95 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.833 0 CA-C-O 121.581 0.705 . . . . 1.3 110.428 178.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.3 mm-40 -79.0 -21.53 46.87 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 121.56 0.695 . . . . 2.06 109.459 175.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.595 HG23 HD11 ' A' ' 18' ' ' ILE . 91.6 t -77.74 -63.23 1.13 Allowed 'Isoleucine or valine' 0 C--O 1.213 -0.854 0 N-CA-C 108.139 -1.06 . . . . 2.03 108.139 177.249 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.519 HG13 ' HA ' ' A' ' 44' ' ' VAL . 13.8 p -50.82 -39.43 18.68 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.79 0 N-CA-C 114.127 1.158 . . . . 1.22 114.127 -174.724 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 14.5 p -66.53 -33.16 61.6 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.957 0 CA-C-O 121.52 0.676 . . . . 1.35 110.737 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -86.25 -16.25 38.24 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.6 -0.727 . . . . 1.09 109.736 178.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -81.37 -53.44 6.32 Favored 'General case' 0 CA--C 1.493 -1.235 0 CA-C-N 115.14 -0.936 . . . . 1.07 110.837 -179.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.451 ' OE1' ' HD2' ' A' ' 57' ' ' LYS . 17.2 pt-20 -55.33 -45.9 76.36 Favored 'General case' 0 C--N 1.315 -0.927 0 O-C-N 123.773 0.671 . . . . 0.8 111.144 -176.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -64.7 -38.9 92.55 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-O 120.776 0.322 . . . . 0.96 111.161 178.047 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.44 ' HA ' ' HE ' ' A' ' 53' ' ' ARG . 1.2 tpm_? -62.95 -41.68 99.58 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 123.483 0.713 . . . . 4.41 110.52 -178.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -90.56 9.58 28.91 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.899 -0.591 . . . . 0.49 112.354 -176.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 62.7 29.66 16.81 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 123.543 0.737 . . . . 1.95 111.148 178.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.528 HG21 ' H ' ' A' ' 57' ' ' LYS . 9.1 p -120.52 -179.95 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.581 0 N-CA-C 109.171 -0.677 . . . . 1.96 109.171 -176.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.528 ' H ' HG21 ' A' ' 56' ' ' VAL . 31.1 tptt -134.03 119.81 19.44 Favored 'General case' 0 N--CA 1.427 -1.586 0 N-CA-C 107.718 -1.216 . . . . 3.77 107.718 174.601 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.589 HD11 ' H8A' ' A' ' 101' ' ' SXO . 58.5 mt -114.4 104.05 54.74 Favored Pre-proline 0 C--N 1.299 -1.604 0 N-CA-C 109.68 -0.489 . . . . 1.24 109.68 -178.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.518 ' O ' HG23 ' A' ' 63' ' ' VAL . 25.7 Cg_exo -63.72 148.29 92.17 Favored 'Trans proline' 0 CA--C 1.537 0.63 0 C-N-CA 123.394 2.73 . . . . 0.79 112.295 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -57.2 -39.96 76.48 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 124.289 1.036 . . . . 2.3 113.654 -172.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -81.03 -30.97 34.77 Favored 'General case' 0 C--N 1.306 -1.325 0 CA-C-O 121.414 0.626 . . . . 2.38 110.31 -178.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -65.49 -29.95 70.66 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.675 -0.693 . . . . 1.52 110.474 176.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 59' ' ' PRO . 92.2 t -58.8 -50.11 80.51 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.555 0 N-CA-C 109.046 -0.724 . . . . 1.42 109.046 173.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 60.6 mttm -64.55 -16.5 62.71 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.716 0.806 . . . . 1.93 111.491 -175.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 17.2 m-80 -85.89 -17.13 36.38 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.708 -0.678 . . . . 2.65 112.397 -178.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.505 HD13 ' HA ' ' A' ' 72' ' ' ALA . 81.6 mt -89.26 173.63 8.29 Favored 'General case' 0 C--N 1.313 -0.997 0 C-N-CA 120.337 -0.545 . . . . 1.24 110.054 -177.778 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.482 ' HB2' ' HZ1' ' A' ' 67' ' ' LYS . 9.4 mtmp? -130.6 -72.84 0.55 Allowed 'General case' 0 C--N 1.311 -1.099 0 CA-C-O 121.019 0.438 . . . . 3.26 111.359 -178.425 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.627 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 45.3 p -97.21 -179.18 4.43 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 122.239 -0.288 . . . . 1.17 111.591 -176.14 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.523 HG13 ' CZ ' ' A' ' 32' ' ' PHE . 34.6 m -74.72 -17.52 16.45 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 N-CA-C 109.337 -0.616 . . . . 1.35 109.337 174.264 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -72.78 -27.42 69.09 Favored Glycine 0 N--CA 1.432 -1.633 0 N-CA-C 109.427 -1.469 . . . . 0.46 109.427 174.053 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.424 ' OD2' ' HB2' ' A' ' 67' ' ' LYS . 59.9 m-20 -83.69 -31.92 25.84 Favored 'General case' 0 C--N 1.311 -1.096 0 O-C-N 122.315 -0.52 . . . . 1.62 110.204 177.552 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.505 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -63.44 -52.47 61.36 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.352 -0.84 . . . . 1.21 109.365 178.17 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.523 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 16.5 p -54.09 -51.48 64.03 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-N 115.121 -0.945 . . . . 1.16 112.444 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.1 mtmm -56.69 -38.97 73.0 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 112.534 0.568 . . . . 4.01 112.534 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 56.6 t80 -70.04 -41.02 74.79 Favored 'General case' 0 C--O 1.242 0.681 0 CA-C-O 121.543 0.687 . . . . 1.09 109.961 -178.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.84 -59.13 4.76 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.049 0 CA-C-N 115.08 -0.963 . . . . 1.26 111.162 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' A' ' 73' ' ' THR . 3.3 pp -62.7 -22.96 66.89 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 112.993 0.738 . . . . 2.3 112.993 -177.598 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -71.7 -38.5 70.54 Favored 'General case' 0 C--N 1.306 -1.297 0 CA-C-O 121.326 0.584 . . . . 1.32 109.861 177.054 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 11.3 m170 -94.97 1.05 55.17 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.499 -0.773 . . . . 3.57 112.866 -177.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.431 HE21 ' HA ' ' A' ' 77' ' ' LEU . 38.6 mt-30 -82.95 -178.29 7.06 Favored 'General case' 0 C--N 1.314 -0.978 0 O-C-N 121.924 -0.485 . . . . 2.23 111.677 178.589 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.429 -1.482 0 N-CA-C 107.587 -1.264 . . . . 3.38 107.587 177.313 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' SXO . . . . . 0.671 H37A ' HA ' ' A' ' 41' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.404 ' H2 ' ' C ' ' A' ' 81' ' ' ALA . . . . . . . . 0 C--O 1.235 0.34 0 CA-C-O 120.773 0.32 . . . . 2.71 110.238 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -154.1 154.7 34.09 Favored 'General case' 0 CA--C 1.473 -1.988 0 N-CA-C 108.343 -0.984 . . . . 1.46 108.343 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.576 ' O ' HG12 ' A' ' 7' ' ' ILE 0.285 7.4 p -95.18 176.82 6.08 Favored 'General case' 0 N--CA 1.403 -2.796 0 N-CA-C 113.518 0.933 . . . . 2.11 113.518 -177.056 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -55.9 -38.7 70.55 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 115.946 1.832 . . . . 2.34 115.946 -168.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -74.12 -33.33 63.54 Favored 'General case' 0 C--N 1.314 -0.935 0 N-CA-C 108.769 -0.826 . . . . 3.05 108.769 -178.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -72.18 -38.18 69.15 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.631 -0.713 . . . . 2.53 109.428 177.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.576 HG12 ' O ' ' A' ' 3' ' ' THR . 44.9 mm -60.46 -54.07 40.1 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.705 0 N-CA-C 109.099 -0.704 . . . . 1.16 109.099 177.721 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.58 HG23 HD13 ' A' ' 28' ' ' LEU . 86.6 t -57.26 -42.13 79.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 CA-C-N 116.4 -0.364 . . . . 1.22 111.18 179.392 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.39 -40.89 95.99 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.327 -0.397 . . . . 1.24 110.944 177.364 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.48 -38.31 90.68 Favored Glycine 0 C--O 1.216 -0.971 0 N-CA-C 110.881 -0.888 . . . . 0.38 110.881 178.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.573 HD13 ' HA ' ' A' ' 8' ' ' VAL . 94.4 mt -58.01 -43.74 86.86 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.356 0.598 . . . . 1.12 109.431 176.293 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.56 -25.91 67.64 Favored 'General case' 0 C--O 1.211 -0.952 0 CA-C-N 115.107 -0.951 . . . . 1.1 112.392 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -59.52 -48.74 80.5 Favored 'General case' 0 C--O 1.245 0.847 0 CA-C-O 121.565 0.697 . . . . 2.48 109.159 175.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.741 HD11 ' HG3' ' A' ' 53' ' ' ARG . 3.5 mp -74.38 -41.03 50.07 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.274 0 CA-C-N 115.334 -0.848 . . . . 1.14 109.771 179.517 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.544 HG11 HD11 ' A' ' 36' ' ' LEU . 53.6 t -63.78 -26.34 40.39 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.292 0 O-C-N 121.748 -0.595 . . . . 1.11 111.472 179.394 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -72.28 -31.27 65.6 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 121.253 0.549 . . . . 0.95 109.758 175.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -79.61 -35.91 38.81 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 115.457 -0.792 . . . . 2.11 110.39 -179.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 45.6 mm -82.99 -53.63 11.09 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.072 0 CA-C-N 115.645 -0.707 . . . . 1.33 111.473 -178.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -110.14 -45.15 3.63 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-O 120.706 0.289 . . . . 1.22 111.554 -175.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 102.6 87.17 1.99 Allowed Glycine 0 C--N 1.317 -0.522 0 C-N-CA 120.15 -1.024 . . . . 0.93 112.466 179.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.7 pp -136.79 154.77 76.62 Favored Pre-proline 0 C--N 1.303 -1.417 0 C-N-CA 123.031 0.532 . . . . 1.31 109.939 179.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -67.23 124.47 12.17 Favored 'Trans proline' 0 N--CA 1.446 -1.292 0 C-N-CA 121.921 1.747 . . . . 0.86 109.968 176.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 27.5 m -64.35 -8.6 4.97 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.03 0 N-CA-C 114.098 1.147 . . . . 2.05 114.098 -177.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.25 -17.42 19.84 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-O 121.115 0.483 . . . . 2.03 110.011 177.176 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -85.92 -28.86 24.05 Favored 'General case' 0 CA--C 1.497 -1.063 0 CA-C-O 121.621 0.724 . . . . 1.07 109.931 -172.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.905 ' HA ' ' HG3' ' A' ' 30' ' ' LYS . 48.6 t -77.66 89.33 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.361 0 N-CA-C 107.741 -1.207 . . . . 1.46 107.741 175.347 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -101.57 -178.29 3.68 Favored 'General case' 0 C--N 1.306 -1.31 0 CA-C-N 114.375 -1.284 . . . . 3.36 108.436 179.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.58 HD13 HG23 ' A' ' 8' ' ' VAL . 3.9 mm? -57.18 -26.37 60.51 Favored 'General case' 0 N--CA 1.482 1.127 0 N-CA-C 114.104 1.15 . . . . 1.64 114.104 -175.517 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -94.59 19.77 9.41 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 113.043 0.757 . . . . 2.47 113.043 -177.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.905 ' HG3' ' HA ' ' A' ' 26' ' ' VAL . 32.4 mmtm -89.4 167.67 12.83 Favored 'General case' 0 C--N 1.296 -1.718 0 CA-C-O 121.184 0.516 . . . . 1.67 110.289 175.008 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.539 ' OG ' ' HB2' ' A' ' 34' ' ' ASP . 12.6 p -146.25 168.43 21.08 Favored 'General case' 0 C--N 1.292 -1.918 0 N-CA-C 105.252 -2.129 . . . . 1.72 105.252 174.55 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.497 ' O ' ' HB2' ' A' ' 36' ' ' LEU . 94.5 m-85 -88.94 -38.92 14.12 Favored 'General case' 0 C--N 1.307 -1.28 0 CA-C-N 119.509 1.05 . . . . 1.03 112.557 -170.574 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.2 t -112.99 -7.69 13.7 Favored 'General case' 0 C--N 1.287 -2.115 0 C-N-CA 118.542 -1.263 . . . . 1.85 112.539 -177.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.539 ' HB2' ' OG ' ' A' ' 31' ' ' SER . 8.6 m-20 -95.95 -55.93 2.82 Favored 'General case' 0 C--N 1.29 -2.021 0 C-N-CA 119.485 -0.886 . . . . 2.31 109.056 -179.096 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -88.48 -37.61 15.65 Favored 'General case' 0 C--N 1.307 -1.24 0 CA-C-N 115.968 -0.56 . . . . 1.67 110.45 -179.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.544 HD11 HG11 ' A' ' 15' ' ' VAL . 78.0 mt -84.89 169.15 14.38 Favored 'General case' 0 CA--C 1.506 -0.728 0 C-N-CA 120.434 -0.506 . . . . 1.23 112.12 -177.258 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -92.77 17.3 10.64 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.43 -0.805 . . . . 2.15 110.696 -178.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.478 ' HB ' ' O ' ' A' ' 32' ' ' PHE . 59.4 t -82.05 123.2 37.89 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.43 0 N-CA-C 106.864 -1.532 . . . . 2.86 106.864 177.669 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -48.83 -69.32 0.12 Allowed 'General case' 0 CA--C 1.493 -1.223 0 O-C-N 124.173 0.921 . . . . 2.96 110.622 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 44.0 p 157.87 -51.05 0.0 OUTLIER 'General case' 0 C--O 1.217 -0.656 0 C-N-CA 127.143 2.177 . . . . 1.56 108.689 173.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.1 mp -59.62 -31.78 69.81 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-O 122.432 1.111 . . . . 1.81 108.638 178.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 36.9 t -68.02 -29.76 68.84 Favored 'General case' 0 CA--C 1.562 1.424 0 CA-C-N 113.979 -1.464 . . . . 1.5 112.214 176.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.607 ' HE3' ' H5A' ' A' ' 101' ' ' SXO . 27.4 ttp -68.46 -21.06 64.65 Favored 'General case' 0 N--CA 1.483 1.224 0 O-C-N 121.482 -0.761 . . . . 1.2 110.698 -176.591 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.495 ' HA ' HG11 ' A' ' 47' ' ' VAL . 36.5 t -58.53 -25.98 29.6 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.468 0 CA-C-N 115.959 -0.564 . . . . 1.3 111.404 -179.137 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -77.27 -28.03 53.32 Favored 'General case' 0 C--O 1.222 -0.342 0 CA-C-O 121.456 0.646 . . . . 2.06 110.248 175.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.581 ' HA ' HG23 ' A' ' 14' ' ' ILE . 57.8 t -73.66 -56.69 8.61 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.068 0 CA-C-N 115.4 -0.818 . . . . 2.03 109.444 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.495 HG11 ' HA ' ' A' ' 44' ' ' VAL . 12.3 p -56.87 -38.01 56.95 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.953 0 N-CA-C 112.743 0.646 . . . . 1.22 112.743 -176.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 9.5 p -69.93 -30.93 46.16 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 CA-C-O 121.142 0.496 . . . . 1.35 110.646 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.478 ' O ' ' HG2' ' A' ' 53' ' ' ARG . . . -79.56 -29.95 41.53 Favored 'General case' 0 C--O 1.212 -0.904 0 CA-C-O 121.41 0.624 . . . . 1.09 109.692 177.764 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.78 -35.11 79.53 Favored 'General case' 0 C--N 1.309 -1.177 0 O-C-N 122.113 -0.367 . . . . 1.07 111.424 179.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -55.66 -47.3 76.93 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-O 120.942 0.401 . . . . 0.8 111.088 178.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -75.54 -37.3 60.13 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 116.3 -0.409 . . . . 0.96 112.036 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.741 ' HG3' HD11 ' A' ' 14' ' ' ILE . 10.3 mmm180 -64.12 -44.54 91.92 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 112.759 0.652 . . . . 4.41 112.759 -176.722 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -99.76 6.75 45.43 Favored 'General case' 0 C--N 1.31 -1.144 0 N-CA-C 112.337 0.495 . . . . 0.49 112.337 -174.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 32.6 t70 57.28 63.81 1.78 Allowed 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 122.444 1.116 . . . . 1.95 109.768 -178.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.739 HG23 ' H ' ' A' ' 57' ' ' LYS . 9.3 p -145.64 -170.43 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.426 -1.632 0 CA-C-N 115.169 -0.923 . . . . 1.96 108.797 -175.704 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.739 ' H ' HG23 ' A' ' 56' ' ' VAL . 65.5 tttp -151.87 129.08 11.18 Favored 'General case' 0 C--N 1.297 -1.7 0 N-CA-C 105.794 -1.928 . . . . 3.77 105.794 179.041 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 59.2 mt -131.1 115.22 16.42 Favored Pre-proline 0 C--N 1.294 -1.816 0 N-CA-C 108.854 -0.795 . . . . 1.24 108.854 -175.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.541 ' HD3' ' OH ' ' A' ' 75' ' ' TYR . 7.5 Cg_exo -72.82 136.73 25.82 Favored 'Trans proline' 0 N--CA 1.445 -1.342 0 C-N-CA 122.326 2.017 . . . . 0.79 110.469 178.465 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -56.33 -28.74 59.92 Favored 'General case' 0 N--CA 1.482 1.173 0 CA-C-O 121.701 0.763 . . . . 2.3 110.745 178.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -59.51 -48.08 83.03 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.238 -0.892 . . . . 2.38 110.135 174.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -80.61 -20.08 44.03 Favored 'General case' 0 C--O 1.215 -0.741 0 CA-C-N 115.331 -0.85 . . . . 1.52 110.942 -173.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.42 HG21 ' O ' ' A' ' 59' ' ' PRO . 84.4 t -56.84 -43.29 79.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 N-CA-C 109.168 -0.678 . . . . 1.42 109.168 174.105 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 36.7 mtmm -75.36 -9.12 58.28 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.81 -0.632 . . . . 1.93 112.002 179.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -91.72 -29.21 16.95 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 109.482 -0.562 . . . . 2.65 109.482 178.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 91.5 mt -77.54 170.32 16.77 Favored 'General case' 0 C--O 1.24 0.605 0 CA-C-N 116.19 -0.459 . . . . 1.24 110.147 -179.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.0 pttp -139.72 -80.46 0.29 Allowed 'General case' 0 C--N 1.31 -1.14 0 N-CA-C 114.836 1.421 . . . . 3.26 114.836 -176.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.455 HG21 ' HB3' ' A' ' 31' ' ' SER . 69.1 p -90.75 -178.67 5.32 Favored 'General case' 0 C--N 1.306 -1.313 0 O-C-N 121.724 -0.61 . . . . 1.17 110.238 -176.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 34.2 m -81.09 -15.18 12.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 C-N-CA 120.202 -0.599 . . . . 1.35 109.598 176.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -85.76 -20.19 56.49 Favored Glycine 0 N--CA 1.444 -0.793 0 N-CA-C 109.604 -1.398 . . . . 0.46 109.604 176.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -83.51 -47.01 11.8 Favored 'General case' 0 C--N 1.306 -1.321 0 CA-C-N 114.795 -0.703 . . . . 1.62 109.356 175.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.12 -39.66 87.02 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.148 -0.933 . . . . 1.21 111.319 -178.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -55.72 -44.09 77.18 Favored 'General case' 0 C--O 1.216 -0.686 0 C-N-CA 122.713 0.405 . . . . 1.16 111.945 179.021 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -55.66 -37.0 67.68 Favored 'General case' 0 N--CA 1.451 -0.409 0 O-C-N 123.854 0.721 . . . . 4.01 111.044 -179.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.541 ' OH ' ' HD3' ' A' ' 59' ' ' PRO . 49.4 t80 -80.02 -50.78 9.89 Favored 'General case' 0 N--CA 1.446 -0.636 0 C-N-CA 120.704 -0.398 . . . . 1.09 111.19 177.432 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 90.7 mt -55.87 -57.57 7.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 C-N-CA 122.78 0.432 . . . . 1.26 110.75 -178.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 61.0 tp -57.98 -29.02 64.89 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 123.944 0.898 . . . . 2.3 112.045 -178.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -87.43 -36.01 17.96 Favored 'General case' 0 C--N 1.311 -1.078 0 C-N-CA 119.807 -0.757 . . . . 1.32 111.784 -177.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 17.8 t60 -86.36 -11.1 52.97 Favored 'General case' 0 C--N 1.308 -1.204 0 CA-C-N 116.196 -0.456 . . . . 3.57 111.117 -175.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -89.3 -175.41 4.75 Favored 'General case' 0 C--N 1.311 -1.069 0 O-C-N 121.764 -0.585 . . . . 2.23 110.775 -178.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.404 ' C ' ' H2 ' ' A' ' 1' ' ' ALA . . . . . . . . 0 N--CA 1.43 -1.467 0 N-CA-C 108.772 -0.825 . . . . 3.38 108.772 175.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' SXO . . . . . 0.607 ' H5A' ' HE3' ' A' ' 43' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.19 0 CA-C-O 120.381 0.134 . . . . 2.71 110.774 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -119.82 179.11 4.35 Favored 'General case' 0 C--N 1.314 -0.97 0 N-CA-C 108.365 -0.976 . . . . 1.46 108.365 179.184 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.579 ' O ' HG12 ' A' ' 7' ' ' ILE . 3.6 m -119.64 177.71 4.84 Favored 'General case' 0 C--N 1.304 -1.373 0 CA-C-O 117.945 -1.026 . . . . 2.11 108.762 178.753 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -42.98 -56.49 3.28 Favored 'General case' 0 N--CA 1.485 1.287 0 N-CA-C 114.61 1.337 . . . . 2.34 114.61 -172.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -74.41 -30.22 61.84 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 109.668 -0.493 . . . . 3.05 109.668 -175.056 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.468 ' HB2' ' H ' ' A' ' 3' ' ' THR . 21.2 mm-40 -71.19 -33.06 69.6 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.718 -0.674 . . . . 2.53 109.324 178.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.579 HG12 ' O ' ' A' ' 3' ' ' THR . 41.3 mm -61.49 -54.53 33.71 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.915 0 N-CA-C 107.541 -1.281 . . . . 1.16 107.541 174.637 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 91.5 t -51.52 -53.86 14.49 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 CA-C-N 115.488 -0.778 . . . . 1.22 110.275 177.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.48 -38.48 80.93 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.78 -0.645 . . . . 1.24 111.852 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -68.67 -33.64 76.54 Favored Glycine 0 C--O 1.214 -1.154 0 N-CA-C 111.007 -0.837 . . . . 0.38 111.007 179.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.465 ' O ' HG23 ' A' ' 15' ' ' VAL . 90.4 mt -67.59 -55.07 14.83 Favored 'General case' 0 C--N 1.306 -1.287 0 N-CA-C 109.055 -0.72 . . . . 1.12 109.055 175.344 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.82 -30.57 69.03 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.841 -1.072 . . . . 1.1 113.752 -175.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.574 ' HG3' HD11 ' A' ' 14' ' ' ILE . 12.2 pt-20 -66.07 -41.2 91.04 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.196 -0.602 . . . . 2.48 111.03 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.662 ' HB ' HG21 ' A' ' 46' ' ' VAL . 4.7 mp -77.86 -32.04 17.46 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.082 0 C-N-CA 118.906 -1.118 . . . . 1.14 109.312 176.103 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 11' ' ' LEU . 75.7 t -62.76 -30.09 48.58 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.397 0 CA-C-O 121.752 0.787 . . . . 1.11 110.448 177.1 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -68.89 -28.67 66.89 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 115.597 -0.729 . . . . 0.95 110.341 175.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -82.24 -42.86 18.36 Favored 'General case' 0 C--N 1.309 -1.177 0 CA-C-N 116.239 -0.437 . . . . 2.11 109.846 178.034 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.666 HG13 ' HB ' ' A' ' 46' ' ' VAL . 48.3 mm -62.8 -53.06 51.75 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 CA-C-N 115.908 -0.587 . . . . 1.33 110.706 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -118.04 -58.4 2.01 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-O 120.888 0.375 . . . . 1.22 110.633 -178.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 120.12 65.0 0.27 Allowed Glycine 0 N--CA 1.438 -1.169 0 C-N-CA 119.77 -1.205 . . . . 0.93 112.847 -179.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.418 HG13 HG13 ' A' ' 15' ' ' VAL . 1.9 pp -102.87 156.79 34.86 Favored Pre-proline 0 C--N 1.307 -1.245 0 N-CA-C 109.75 -0.463 . . . . 1.31 109.75 174.296 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.642 ' HB2' ' HB2' ' A' ' 25' ' ' ASP . 24.2 Cg_exo -64.93 128.48 20.88 Favored 'Trans proline' 0 N--CA 1.443 -1.452 0 C-N-CA 121.473 1.448 . . . . 0.86 108.975 174.673 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 12.2 p -74.42 -9.22 12.69 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.062 0 CA-C-O 122.206 1.003 . . . . 2.05 110.369 -175.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -92.51 -18.42 23.19 Favored 'General case' 0 C--N 1.305 -1.329 0 CA-C-N 114.554 -1.203 . . . . 2.03 109.958 177.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.642 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 24.8 t70 -84.7 -23.82 29.21 Favored 'General case' 0 CA--C 1.505 -0.771 0 CA-C-N 115.822 -0.626 . . . . 1.07 111.38 -170.476 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.828 ' HA ' ' HG3' ' A' ' 30' ' ' LYS . 38.9 t -78.52 87.13 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.299 -1.6 0 CA-C-O 121.803 0.811 . . . . 1.46 110.716 -176.61 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 47.8 mtmt -94.37 177.92 5.79 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 107.625 -1.25 . . . . 3.36 107.625 173.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.46 ' HA ' HG21 ' A' ' 69' ' ' VAL . 3.6 mm? -65.49 -15.35 62.57 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 113.165 0.802 . . . . 1.64 113.165 -174.182 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -85.29 0.49 51.81 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 111.835 0.309 . . . . 2.47 111.835 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.828 ' HG3' ' HA ' ' A' ' 26' ' ' VAL . 74.7 mmtt -84.81 128.15 34.47 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-N 116.326 -0.397 . . . . 1.67 111.836 -179.144 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.64 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 1.8 p -112.27 154.33 25.8 Favored 'General case' 0 C--N 1.288 -2.09 0 N-CA-C 107.04 -1.467 . . . . 1.72 107.04 173.192 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.648 ' CE1' ' H5 ' ' A' ' 101' ' ' SXO . 77.2 m-85 -74.35 -53.48 9.57 Favored 'General case' 0 CA--C 1.479 -1.758 0 N-CA-C 112.645 0.609 . . . . 1.03 112.645 -161.766 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.513 HG23 ' HB3' ' A' ' 40' ' ' SER . 6.1 p -118.42 30.52 7.17 Favored 'General case' 0 N--CA 1.402 -2.87 0 C-N-CA 118.913 -1.115 . . . . 1.85 110.942 176.305 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.521 ' HB2' ' OG ' ' A' ' 31' ' ' SER . 16.4 m-20 -118.82 -36.64 3.4 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 114.911 -1.04 . . . . 2.31 108.874 176.003 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -123.09 -25.04 4.59 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 120.383 -0.527 . . . . 1.67 111.733 -179.056 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.602 HD11 ' HA ' ' A' ' 32' ' ' PHE . 89.9 mt -84.16 -175.79 5.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.037 0.446 . . . . 1.23 111.951 -177.14 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -129.89 77.84 1.81 Allowed 'General case' 0 CA--C 1.483 -1.603 0 CA-C-N 115.683 -0.69 . . . . 2.15 109.46 -177.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.2 m -134.95 175.76 10.3 Favored 'Isoleucine or valine' 0 N--CA 1.414 -2.229 0 CA-C-N 114.926 -1.034 . . . . 2.86 110.621 178.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.45 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 11.5 t70 -94.13 132.76 38.33 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 105.711 -1.959 . . . . 2.96 105.711 170.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.513 ' HB3' HG23 ' A' ' 33' ' ' THR . 66.6 p -65.19 -52.59 53.94 Favored 'General case' 0 C--N 1.293 -1.851 0 N-CA-C 112.133 0.42 . . . . 1.56 112.133 -174.323 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.0 mp -61.05 -27.4 68.31 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.547 0.689 . . . . 1.81 110.439 -178.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.45 ' HB2' ' HB3' ' A' ' 39' ' ' ASP . 25.2 m -79.8 -13.39 59.46 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 115.897 -0.592 . . . . 1.5 112.363 176.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.418 ' HA ' HG12 ' A' ' 46' ' ' VAL . 36.6 ttp -68.93 -24.79 64.32 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 107.782 -1.192 . . . . 1.2 107.782 174.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.473 ' HA ' HG11 ' A' ' 47' ' ' VAL . 47.3 t -66.43 -23.53 31.72 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.235 0 CA-C-N 114.663 -1.153 . . . . 1.3 109.579 178.141 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -78.9 -35.45 43.56 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 115.466 -0.788 . . . . 2.06 110.113 178.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.666 ' HB ' HG13 ' A' ' 18' ' ' ILE . 7.6 p -78.13 -41.2 26.67 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.438 0 O-C-N 121.872 -0.517 . . . . 2.03 111.496 178.744 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.484 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 7.5 p -61.27 -39.43 82.58 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 C-N-CA 120.819 -0.352 . . . . 1.22 111.594 -178.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.407 ' HA ' ' OE2' ' A' ' 51' ' ' GLU . 12.7 p -67.72 -25.55 33.03 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.823 0 CA-C-O 121.397 0.618 . . . . 1.35 110.824 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.525 ' O ' ' HG2' ' A' ' 53' ' ' ARG . . . -86.17 -26.19 25.29 Favored 'General case' 0 C--O 1.217 -0.618 0 CA-C-O 121.405 0.621 . . . . 1.09 109.766 177.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.22 -34.1 70.5 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-N 116.086 -0.506 . . . . 1.07 110.531 179.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.489 ' HA ' HG23 ' A' ' 56' ' ' VAL . 42.3 mt-10 -55.61 -45.75 77.43 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 115.853 -0.612 . . . . 0.8 110.882 178.496 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -76.64 -18.88 58.34 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 116.004 -0.544 . . . . 0.96 111.909 -178.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.525 ' HG2' ' O ' ' A' ' 49' ' ' ALA . 80.3 mmt-85 -80.29 -51.61 8.69 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.806 0.336 . . . . 4.41 110.614 179.165 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.422 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 46.9 m-85 -89.25 7.93 32.94 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 113.102 0.779 . . . . 0.49 113.102 -172.736 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 65.11 30.09 11.72 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 121.325 0.583 . . . . 1.95 111.383 178.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.489 HG23 ' HA ' ' A' ' 51' ' ' GLU . 17.3 m -114.64 -173.0 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.286 -0.87 . . . . 1.96 111.774 -178.418 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -148.66 129.26 14.04 Favored 'General case' 0 N--CA 1.421 -1.922 0 N-CA-C 105.52 -2.03 . . . . 3.77 105.52 171.013 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 45.9 mt -123.43 103.3 35.4 Favored Pre-proline 0 C--N 1.288 -2.1 0 N-CA-C 109.169 -0.678 . . . . 1.24 109.169 -175.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -63.92 138.42 62.81 Favored 'Trans proline' 0 N--CA 1.452 -0.92 0 C-N-CA 122.749 2.3 . . . . 0.79 111.007 178.184 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.475 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 6.2 m-20 -53.98 -36.36 62.82 Favored 'General case' 0 C--N 1.317 -0.845 0 C-N-CA 124.174 0.989 . . . . 2.3 113.196 -175.037 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -70.77 -32.57 69.75 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.565 -0.454 . . . . 2.38 111.299 -179.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -70.49 -35.63 73.36 Favored 'General case' 0 CA--C 1.505 -0.783 0 N-CA-C 109.607 -0.516 . . . . 1.52 109.607 177.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.596 ' O ' ' H2 ' ' A' ' 101' ' ' SXO . 94.5 t -56.76 -54.11 33.45 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.587 0 CA-C-N 115.098 -0.955 . . . . 1.42 109.109 176.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.475 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 66.5 mttm -61.07 -19.31 61.27 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.858 0.863 . . . . 1.93 111.694 -174.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -88.63 -12.67 41.89 Favored 'General case' 0 C--N 1.308 -1.237 0 CA-C-N 115.747 -0.66 . . . . 2.65 112.778 -178.296 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.423 HD23 ' HB3' ' A' ' 71' ' ' ASP . 87.7 mt -90.68 178.21 6.13 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 120.447 -0.501 . . . . 1.24 111.433 -177.384 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.47 ' HB2' ' OD1' ' A' ' 71' ' ' ASP . 9.9 mtmp? -130.36 -73.39 0.55 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.388 0.613 . . . . 3.26 111.745 -175.487 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.64 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 77.2 p -102.25 -172.44 2.14 Favored 'General case' 0 N--CA 1.434 -1.272 0 CA-C-O 121.238 0.542 . . . . 1.17 110.842 -175.665 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.464 HG11 ' CZ ' ' A' ' 32' ' ' PHE . 35.5 m -77.89 -13.51 14.0 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.33 0 N-CA-C 108.772 -0.825 . . . . 1.35 108.772 171.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.452 ' O ' ' HG2' ' A' ' 74' ' ' LYS . . . -73.18 -41.69 46.03 Favored Glycine 0 N--CA 1.435 -1.385 0 N-CA-C 108.504 -1.838 . . . . 0.46 108.504 174.448 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.47 ' OD1' ' HB2' ' A' ' 67' ' ' LYS . 5.1 m-20 -66.18 -40.58 90.57 Favored 'General case' 0 CA--C 1.508 -0.664 0 CA-C-O 121.578 0.704 . . . . 1.62 109.249 175.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.409 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -63.84 -48.96 74.68 Favored 'General case' 0 N--CA 1.437 -1.079 0 CA-C-N 114.851 -1.068 . . . . 1.21 109.849 -177.193 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.599 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 8.7 p -58.01 -50.52 73.15 Favored 'General case' 0 N--CA 1.427 -1.589 0 CA-C-O 118.827 -0.606 . . . . 1.16 112.444 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.452 ' HG2' ' O ' ' A' ' 70' ' ' GLY . 46.7 mmtm -49.55 -45.98 48.25 Favored 'General case' 0 N--CA 1.478 0.97 0 O-C-N 123.874 0.734 . . . . 4.01 111.241 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -70.01 -56.73 6.22 Favored 'General case' 0 C--O 1.243 0.751 0 CA-C-N 115.726 -0.67 . . . . 1.09 111.234 179.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 99.1 mt -57.99 -56.16 17.54 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.708 0 CA-C-N 115.798 -0.637 . . . . 1.26 112.041 -174.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.599 ' HG ' ' O ' ' A' ' 73' ' ' THR . 3.9 pp -60.1 -22.2 62.48 Favored 'General case' 0 CA--C 1.519 -0.224 0 N-CA-C 112.569 0.581 . . . . 2.3 112.569 -174.179 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -79.95 -36.46 36.16 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.449 0.643 . . . . 1.32 110.503 -179.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 54.2 m-70 -91.52 3.19 55.58 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 113.152 0.797 . . . . 3.57 113.152 -174.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.402 ' HG3' ' HA ' ' A' ' 77' ' ' LEU . 43.4 mt-30 -72.42 -178.29 2.5 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 121.934 0.873 . . . . 2.23 111.49 -178.757 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.417 -2.079 0 N-CA-C 106.412 -1.699 . . . . 3.38 106.412 171.528 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' SXO . . . . . 0.648 ' H5 ' ' CE1' ' A' ' 32' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.395 0 N-CA-C 109.201 -0.666 . . . . 2.71 109.201 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -151.04 -175.22 5.06 Favored 'General case' 0 C--O 1.243 0.718 0 N-CA-C 109.426 -0.583 . . . . 1.46 109.426 -175.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.55 ' O ' HG12 ' A' ' 7' ' ' ILE . 0.9 OUTLIER -94.61 177.48 5.91 Favored 'General case' 0 C--O 1.205 -1.247 0 CA-C-O 118.761 -0.638 . . . . 2.11 110.623 -176.424 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.47 ' HG2' ' HB ' ' A' ' 73' ' ' THR . 49.5 mt-30 -45.25 -56.31 4.97 Favored 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 115.459 1.652 . . . . 2.34 115.459 -171.273 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -65.61 -38.73 90.3 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-O 121.391 0.615 . . . . 3.05 110.092 -176.219 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -70.2 -34.81 73.4 Favored 'General case' 0 C--N 1.306 -1.288 0 CA-C-N 114.818 -1.083 . . . . 2.53 109.319 -179.148 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.55 HG12 ' O ' ' A' ' 3' ' ' THR . 36.4 mm -64.09 -53.26 45.88 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.947 0 N-CA-C 108.366 -0.976 . . . . 1.16 108.366 175.426 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.509 ' HA ' HD11 ' A' ' 11' ' ' LEU . 78.0 t -53.03 -47.89 53.41 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 123.576 0.75 . . . . 1.22 110.768 178.765 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.45 -39.75 73.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.886 -0.597 . . . . 1.24 110.683 177.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.423 ' C ' ' HZ ' ' A' ' 54' ' ' PHE . . . -70.98 -43.73 56.95 Favored Glycine 0 C--O 1.214 -1.116 0 N-CA-C 110.767 -0.933 . . . . 0.38 110.767 178.119 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.513 ' O ' HG22 ' A' ' 15' ' ' VAL . 94.9 mt -52.8 -48.28 67.01 Favored 'General case' 0 CA--C 1.5 -0.968 0 C-N-CA 123.935 0.894 . . . . 1.12 110.859 -179.503 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.68 -36.26 73.92 Favored 'General case' 0 C--O 1.214 -0.805 0 CA-C-N 115.381 -0.827 . . . . 1.1 111.851 -178.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -58.92 -34.27 71.51 Favored 'General case' 0 CA--C 1.517 -0.326 0 O-C-N 123.507 0.504 . . . . 2.48 110.68 -179.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.64 ' HB ' HG21 ' A' ' 46' ' ' VAL . 4.5 mp -84.83 -38.96 13.81 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.376 0 C-N-CA 119.426 -0.91 . . . . 1.14 109.238 176.3 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.513 HG22 ' O ' ' A' ' 11' ' ' LEU . 20.4 t -60.06 -23.89 28.49 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.203 0 O-C-N 121.928 -0.483 . . . . 1.11 111.023 179.376 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 20.7 m120 -63.17 -49.05 75.83 Favored 'General case' 0 CA--C 1.503 -0.85 0 O-C-N 121.879 -0.513 . . . . 0.95 111.361 174.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -78.11 -24.04 47.66 Favored 'General case' 0 C--N 1.304 -1.401 0 C-N-CA 120.344 -0.542 . . . . 2.11 111.73 -176.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.689 HG13 ' HB ' ' A' ' 46' ' ' VAL . 48.1 mm -80.61 -53.0 13.5 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 CA-C-N 116.336 -0.393 . . . . 1.33 110.153 179.224 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -117.18 -57.07 2.19 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-O 120.978 0.418 . . . . 1.22 111.146 -177.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 112.39 95.15 2.21 Favored Glycine 0 C--N 1.305 -1.184 0 N-CA-C 110.496 -1.042 . . . . 0.93 110.496 -176.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.7 pp -133.71 161.93 60.74 Favored Pre-proline 0 C--N 1.3 -1.565 0 N-CA-C 111.916 0.339 . . . . 1.31 111.916 -177.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -77.33 130.05 10.73 Favored 'Trans proline' 0 N--CA 1.437 -1.795 0 N-CA-C 108.07 -1.55 . . . . 0.86 108.07 170.095 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 27.5 m -68.83 -25.15 29.67 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.189 0 N-CA-C 111.969 0.359 . . . . 2.05 111.969 -176.257 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -83.07 -9.04 59.45 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-O 121.579 0.704 . . . . 2.03 110.273 177.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.706 ' O ' ' HE3' ' A' ' 30' ' ' LYS . 17.7 t70 -83.16 -37.23 23.98 Favored 'General case' 0 N--CA 1.432 -1.353 0 N-CA-C 108.113 -1.069 . . . . 1.07 108.113 178.675 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.407 HG13 HG12 ' A' ' 8' ' ' VAL . 33.1 t -72.75 86.64 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-O 121.801 0.81 . . . . 1.46 109.791 179.763 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.532 ' H ' ' HG3' ' A' ' 30' ' ' LYS . 59.2 mttp -97.1 -164.4 1.14 Allowed 'General case' 0 C--N 1.307 -1.273 0 CA-C-N 114.093 -1.412 . . . . 3.36 108.666 178.265 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -79.25 -33.25 43.74 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 113.582 0.956 . . . . 1.64 113.582 -177.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -97.63 71.28 2.26 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-O 122.523 1.154 . . . . 2.47 108.688 177.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.706 ' HE3' ' O ' ' A' ' 25' ' ' ASP . 62.3 mmtt -138.34 141.46 39.73 Favored 'General case' 0 C--N 1.305 -1.328 0 CA-C-N 113.279 -1.782 . . . . 1.67 110.073 -179.513 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.493 ' HB3' ' HB3' ' A' ' 34' ' ' ASP . 15.5 t -129.67 150.57 50.93 Favored 'General case' 0 C--N 1.28 -2.445 0 N-CA-C 107.329 -1.36 . . . . 1.72 107.329 175.323 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.607 ' HA ' HD11 ' A' ' 36' ' ' LEU . 85.6 m-85 -69.53 -42.96 73.95 Favored 'General case' 0 CA--C 1.493 -1.219 0 CA-C-O 121.267 0.556 . . . . 1.03 111.563 -166.394 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.501 ' HA ' HG21 ' A' ' 38' ' ' VAL . 34.7 p -110.91 28.82 8.34 Favored 'General case' 0 N--CA 1.405 -2.699 0 C-N-CA 119.594 -0.842 . . . . 1.85 111.787 -178.502 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.493 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 11.3 t70 -133.93 -43.28 0.81 Allowed 'General case' 0 C--N 1.29 -1.986 0 CA-C-N 115.398 -0.819 . . . . 2.31 110.392 178.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.4 ' HB3' ' HD3' ' A' ' 30' ' ' LYS . 1.2 t0 -119.87 0.13 10.78 Favored 'General case' 0 C--N 1.311 -1.096 0 C-N-CA 119.919 -0.712 . . . . 1.67 111.164 -175.52 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.607 HD11 ' HA ' ' A' ' 32' ' ' PHE . 35.4 mt -111.36 -163.75 0.87 Allowed 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.088 -0.645 . . . . 1.23 110.913 -176.397 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -64.01 -23.66 67.42 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.239 0.616 . . . . 2.15 110.267 179.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.501 HG21 ' HA ' ' A' ' 33' ' ' THR . 88.4 t 76.08 84.46 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.437 -1.1 0 C-N-CA 125.32 1.448 . . . . 2.86 112.298 179.034 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.847 ' HB2' ' HB3' ' A' ' 42' ' ' SER . 12.4 p-10 -108.38 102.5 11.6 Favored 'General case' 0 C--N 1.272 -2.797 0 N-CA-C 106.465 -1.68 . . . . 2.96 106.465 167.006 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.51 ' HB2' ' H28' ' A' ' 101' ' ' SXO . 81.6 p -81.55 -53.17 6.49 Favored 'General case' 0 C--N 1.286 -2.163 0 CA-C-N 115.346 -0.843 . . . . 1.56 112.103 -169.554 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.474 ' HA ' HD12 ' A' ' 41' ' ' LEU . 9.0 tp -88.79 -34.92 16.91 Favored 'General case' 0 N--CA 1.396 -3.15 0 CA-C-O 121.98 0.895 . . . . 1.81 109.734 179.729 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.847 ' HB3' ' HB2' ' A' ' 39' ' ' ASP . 28.1 t -63.1 -24.17 67.78 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-N 114.379 -1.282 . . . . 1.5 111.325 -178.207 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.507 ' HB2' ' O ' ' A' ' 39' ' ' ASP . 22.7 ttp -61.24 -22.15 64.54 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 120.911 0.386 . . . . 1.2 111.836 -178.36 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.506 ' HA ' HG11 ' A' ' 47' ' ' VAL . 60.5 t -56.89 -32.7 39.81 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 CA-C-O 121.369 0.604 . . . . 1.3 109.991 178.304 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -72.35 -37.11 68.9 Favored 'General case' 0 N--CA 1.432 -1.325 0 CA-C-N 115.889 -0.596 . . . . 2.06 111.749 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.689 ' HB ' HG13 ' A' ' 18' ' ' ILE . 7.5 p -77.56 -32.12 18.12 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.613 0 C-N-CA 119.792 -0.763 . . . . 2.03 111.209 178.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.506 HG11 ' HA ' ' A' ' 44' ' ' VAL . 14.1 p -70.94 -38.67 73.27 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 C-N-CA 119.329 -0.949 . . . . 1.22 111.098 178.572 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 9.1 p -70.43 -30.68 43.91 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.615 0 CA-C-O 121.426 0.632 . . . . 1.35 109.554 177.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.504 ' O ' ' HG2' ' A' ' 53' ' ' ARG . . . -74.01 -30.2 62.34 Favored 'General case' 0 C--O 1.211 -0.963 0 CA-C-N 116.034 -0.53 . . . . 1.09 110.227 177.517 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.33 -35.85 80.36 Favored 'General case' 0 C--N 1.31 -1.152 0 CA-C-O 120.745 0.307 . . . . 1.07 110.574 179.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.497 ' OE1' ' HG3' ' A' ' 57' ' ' LYS . 32.2 mt-10 -56.19 -56.06 25.5 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.303 0.573 . . . . 0.8 110.468 177.277 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -70.99 -25.7 62.82 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.186 -0.915 . . . . 0.96 112.626 -175.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.504 ' HG2' ' O ' ' A' ' 49' ' ' ALA . 25.4 mmt180 -88.25 -28.61 21.0 Favored 'General case' 0 C--N 1.318 -0.766 0 C-N-CA 120.554 -0.458 . . . . 4.41 112.132 -177.324 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.423 ' HZ ' ' C ' ' A' ' 10' ' ' GLY . 78.4 m-85 -111.41 11.5 21.49 Favored 'General case' 0 C--O 1.242 0.663 0 N-CA-C 113.397 0.888 . . . . 0.49 113.397 -175.128 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 66.53 30.23 8.63 Favored 'General case' 0 N--CA 1.496 1.842 0 C-N-CA 123.321 0.649 . . . . 1.95 110.451 178.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.673 HG23 ' H ' ' A' ' 57' ' ' LYS . 9.1 p -123.48 -175.01 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.299 -1.603 0 C-N-CA 120.419 -0.512 . . . . 1.96 110.164 -173.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.673 ' H ' HG23 ' A' ' 56' ' ' VAL . 13.9 ttmm -151.47 134.39 15.76 Favored 'General case' 0 N--CA 1.422 -1.843 0 N-CA-C 107.442 -1.318 . . . . 3.77 107.442 175.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 53.7 mt -133.63 113.59 13.02 Favored Pre-proline 0 C--N 1.31 -1.129 0 N-CA-C 109.381 -0.6 . . . . 1.24 109.381 -176.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.542 ' O ' HG22 ' A' ' 63' ' ' VAL . 39.0 Cg_exo -61.9 143.26 95.42 Favored 'Trans proline' 0 C--O 1.234 0.3 0 C-N-CA 123.303 2.669 . . . . 0.79 111.181 176.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -56.05 -38.49 70.68 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 124.009 0.924 . . . . 2.3 112.483 -175.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -76.08 -25.67 55.74 Favored 'General case' 0 C--N 1.315 -0.905 0 C-N-CA 120.517 -0.473 . . . . 2.38 111.999 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.452 ' HA ' ' HB3' ' A' ' 65' ' ' ASN . 2.2 t70 -79.25 -27.76 42.38 Favored 'General case' 0 C--O 1.219 -0.54 0 N-CA-C 108.607 -0.886 . . . . 1.52 108.607 -178.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.542 HG22 ' O ' ' A' ' 59' ' ' PRO . 58.8 t -57.34 -57.59 9.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 N-CA-C 108.266 -1.013 . . . . 1.42 108.266 174.235 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.433 ' HE3' ' H37' ' A' ' 101' ' ' SXO . 59.2 mttp -64.24 -17.1 63.26 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 115.198 -0.91 . . . . 1.93 110.933 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.452 ' HB3' ' HA ' ' A' ' 62' ' ' ASP . 2.3 t30 -76.72 -30.43 56.63 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 115.481 -0.781 . . . . 2.65 111.098 177.036 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.522 HD11 ' HA ' ' A' ' 72' ' ' ALA . 90.0 mt -82.77 -177.81 6.87 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.522 -0.547 . . . . 1.24 109.522 -178.547 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.542 ' HG3' ' OD2' ' A' ' 71' ' ' ASP . 19.2 pttp -143.45 -60.61 0.41 Allowed 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 113.023 0.749 . . . . 3.26 113.023 178.735 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.41 HG22 ' HB2' ' A' ' 31' ' ' SER . 48.5 p -101.63 -177.83 3.54 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 119.758 -0.777 . . . . 1.17 110.806 -178.617 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 28.7 m -77.78 -15.9 14.18 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.025 0 N-CA-C 109.029 -0.73 . . . . 1.35 109.029 173.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -74.82 -37.43 44.7 Favored Glycine 0 N--CA 1.432 -1.617 0 N-CA-C 109.602 -1.399 . . . . 0.46 109.602 177.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.542 ' OD2' ' HG3' ' A' ' 67' ' ' LYS . 20.5 m-20 -74.73 -34.41 62.56 Favored 'General case' 0 CA--C 1.507 -0.706 0 N-CA-C 108.832 -0.803 . . . . 1.62 108.832 177.715 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.522 ' HA ' HD11 ' A' ' 66' ' ' LEU . . . -66.58 -51.55 55.23 Favored 'General case' 0 N--CA 1.436 -1.166 0 CA-C-N 114.62 -1.173 . . . . 1.21 110.504 -177.118 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.551 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 19.6 p -56.45 -40.17 74.35 Favored 'General case' 0 N--CA 1.439 -1.024 0 O-C-N 123.671 0.607 . . . . 1.16 112.52 -178.345 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -59.02 -49.66 77.04 Favored 'General case' 0 CA--C 1.514 -0.425 0 O-C-N 123.606 0.566 . . . . 4.01 110.649 178.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -65.87 -41.5 91.54 Favored 'General case' 0 C--O 1.244 0.808 0 CA-C-O 121.223 0.535 . . . . 1.09 110.829 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.599 ' HA ' HG21 ' A' ' 56' ' ' VAL . 92.2 mt -59.69 -57.12 13.03 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.953 0 CA-C-N 115.673 -0.694 . . . . 1.26 111.078 179.522 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' A' ' 73' ' ' THR . 3.8 pp -64.38 -21.82 66.75 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.363 0.601 . . . . 2.3 112.462 -179.158 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -72.57 -41.79 65.34 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 115.122 -0.944 . . . . 1.32 110.556 178.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 55.5 m-70 -103.54 4.46 35.84 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 114.667 1.358 . . . . 3.57 114.667 -179.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.444 ' NE2' ' HA ' ' A' ' 77' ' ' LEU . 4.0 pt20 -71.99 139.83 48.8 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 118.072 0.396 . . . . 2.23 111.908 -176.479 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.26 1.648 0 C-N-CA 125.505 1.522 . . . . 3.38 111.785 175.575 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' SXO . . . . . 0.632 ' O26' ' H30' ' A' ' 101' ' ' SXO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.512 -0.493 0 CA-C-O 120.6 0.238 . . . . 2.71 110.372 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.477 ' HB3' ' HB2' ' A' ' 6' ' ' GLU . . . -136.21 161.68 35.08 Favored 'General case' 0 C--N 1.314 -0.974 0 N-CA-C 108.785 -0.82 . . . . 1.46 108.785 176.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.561 ' O ' HG12 ' A' ' 7' ' ' ILE . 14.6 t -89.09 176.12 7.11 Favored 'General case' 0 C--O 1.194 -1.863 0 C-N-CA 119.456 -0.898 . . . . 2.11 111.668 -177.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -57.76 -29.56 64.9 Favored 'General case' 0 CA--C 1.498 -1.037 0 O-C-N 123.934 0.771 . . . . 2.34 110.037 -178.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -69.38 -42.34 75.28 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-O 121.532 0.682 . . . . 3.05 110.687 -179.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.477 ' HB2' ' HB3' ' A' ' 2' ' ' ALA . 38.0 mt-10 -83.04 -24.66 32.68 Favored 'General case' 0 C--N 1.295 -1.799 0 CA-C-N 114.351 -1.295 . . . . 2.53 109.195 -177.471 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.561 HG12 ' O ' ' A' ' 3' ' ' THR . 34.6 mm -72.6 -51.79 26.53 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.047 0 N-CA-C 108.94 -0.763 . . . . 1.16 108.94 179.142 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.501 HG12 HG11 ' A' ' 26' ' ' VAL . 53.0 t -52.51 -46.97 48.69 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 CA-C-N 116.019 -0.537 . . . . 1.22 109.951 177.021 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.53 ' O ' ' HG3' ' A' ' 13' ' ' GLU . . . -53.91 -46.98 71.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.372 -0.831 . . . . 1.24 111.209 179.012 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.97 -43.29 96.13 Favored Glycine 0 C--N 1.338 0.648 0 N-CA-C 111.005 -0.838 . . . . 0.38 111.005 -178.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.424 HD23 HD11 ' A' ' 76' ' ' ILE . 96.9 mt -57.15 -47.82 80.22 Favored 'General case' 0 C--O 1.244 0.802 0 C-N-CA 123.443 0.697 . . . . 1.12 110.931 179.798 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.05 -23.53 62.16 Favored 'General case' 0 N--CA 1.429 -1.496 0 CA-C-N 115.327 -0.851 . . . . 1.1 112.216 -177.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.53 ' HG3' ' O ' ' A' ' 9' ' ' ALA . 49.0 mt-10 -62.91 -39.77 95.56 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-N 118.009 0.368 . . . . 2.48 110.681 176.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.883 ' HB ' HG21 ' A' ' 46' ' ' VAL . 5.3 mp -77.44 -47.99 25.26 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.937 0 C-N-CA 119.899 -0.721 . . . . 1.14 109.615 176.376 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.521 HG23 HG23 ' A' ' 46' ' ' VAL . 41.1 t -61.89 -23.8 32.41 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.418 0 CA-C-O 121.265 0.555 . . . . 1.11 112.187 -178.672 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -72.66 -34.49 67.29 Favored 'General case' 0 C--O 1.213 -0.847 0 O-C-N 121.369 -0.832 . . . . 0.95 110.086 176.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -75.29 -38.64 60.26 Favored 'General case' 0 C--N 1.313 -0.988 0 N-CA-C 109.121 -0.696 . . . . 2.11 109.121 177.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 40.0 mm -74.87 -53.9 15.52 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.936 0 CA-C-N 115.43 -0.804 . . . . 1.33 112.135 -178.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -113.12 -32.84 6.2 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 113.12 0.785 . . . . 1.22 113.12 -174.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.97 30.57 7.03 Favored Glycine 0 C--N 1.313 -0.726 0 C-N-CA 119.775 -1.202 . . . . 0.93 114.396 176.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.476 HD12 ' HB ' ' A' ' 15' ' ' VAL . 1.9 pp -82.59 140.68 44.51 Favored Pre-proline 0 C--N 1.314 -0.957 0 CA-C-N 117.25 0.525 . . . . 1.31 111.915 176.394 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 21' ' ' ILE . 16.6 Cg_exo -64.5 142.56 78.63 Favored 'Trans proline' 0 N--CA 1.452 -0.963 0 C-N-CA 122.579 2.186 . . . . 0.86 110.374 175.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.7 m -76.05 -5.82 7.88 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.224 0 CA-C-O 121.504 0.669 . . . . 2.05 110.984 179.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -85.17 -21.55 29.14 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-N 115.281 -0.872 . . . . 2.03 108.747 175.144 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -82.66 -37.3 25.05 Favored 'General case' 0 CA--C 1.503 -0.857 0 CA-C-N 115.558 -0.747 . . . . 1.07 109.45 -176.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.501 HG11 HG12 ' A' ' 8' ' ' VAL . 27.9 t -73.2 87.43 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.047 0 CA-C-N 114.91 -1.041 . . . . 1.46 111.246 -176.159 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.417 ' H ' ' HG2' ' A' ' 30' ' ' LYS . 95.6 mttt -107.81 166.15 10.91 Favored 'General case' 0 C--N 1.293 -1.872 0 N-CA-C 107.091 -1.448 . . . . 3.36 107.091 174.235 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -49.28 -40.66 35.43 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 115.947 1.832 . . . . 1.64 115.947 -169.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -88.78 16.2 7.17 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 114.022 1.119 . . . . 2.47 114.022 -176.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.577 ' HD2' ' OD2' ' A' ' 35' ' ' ASP . 18.7 mmtp -84.71 124.59 31.68 Favored 'General case' 0 C--N 1.314 -0.936 0 C-N-CA 119.62 -0.832 . . . . 1.67 110.165 176.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.71 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 7.3 t -95.87 144.56 26.11 Favored 'General case' 0 C--N 1.295 -1.774 0 N-CA-C 109.086 -0.709 . . . . 1.72 109.086 177.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.624 ' HA ' HD12 ' A' ' 36' ' ' LEU . 98.0 m-85 -71.37 24.33 0.04 OUTLIER 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 124.297 1.039 . . . . 1.03 112.855 -176.433 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.733 ' HB ' ' HB3' ' A' ' 40' ' ' SER . 9.7 t -172.48 -48.34 0.02 OUTLIER 'General case' 0 N--CA 1.439 -1.018 0 C-N-CA 122.764 0.425 . . . . 1.85 110.738 175.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.462 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 13.4 t70 -62.05 -39.17 91.44 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-O 121.649 0.738 . . . . 2.31 109.784 -178.757 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.577 ' OD2' ' HD2' ' A' ' 30' ' ' LYS . 20.4 t70 -105.55 -58.05 1.95 Allowed 'General case' 0 C--N 1.308 -1.22 0 CA-C-N 115.541 -0.754 . . . . 1.67 111.27 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.624 HD12 ' HA ' ' A' ' 32' ' ' PHE . 75.2 mt -57.91 147.04 30.07 Favored 'General case' 0 CA--C 1.5 -0.964 0 N-CA-C 114.176 1.176 . . . . 1.23 114.176 -171.517 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -89.74 65.8 6.92 Favored 'General case' 0 C--N 1.296 -1.741 0 CA-C-N 113.613 -1.63 . . . . 2.15 108.089 -177.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.406 HG23 ' H ' ' A' ' 40' ' ' SER . 30.9 m -130.07 -172.33 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.402 -2.831 0 CA-C-N 112.891 -1.958 . . . . 2.86 109.393 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -117.13 25.14 10.69 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-O 121.296 0.569 . . . . 2.96 109.686 175.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.733 ' HB3' ' HB ' ' A' ' 33' ' ' THR . 95.2 p 61.93 -71.25 0.04 OUTLIER 'General case' 0 C--N 1.317 -0.833 0 C-N-CA 127.298 2.239 . . . . 1.56 114.481 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.1 mp -45.9 -24.35 0.39 Allowed 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 125.62 1.568 . . . . 1.81 114.024 -175.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.0 m -60.05 -26.91 66.51 Favored 'General case' 0 C--N 1.304 -1.396 0 C-N-CA 123.702 0.801 . . . . 1.5 111.421 177.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.551 ' SD ' ' H5 ' ' A' ' 101' ' ' SXO . 9.3 tmm? -62.13 -22.48 65.87 Favored 'General case' 0 C--O 1.216 -0.7 0 C-N-CA 124.016 0.926 . . . . 1.2 110.66 -179.241 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 58.9 t -56.69 -26.93 24.63 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.108 0 CA-C-O 121.257 0.551 . . . . 1.3 111.113 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -81.1 -28.55 35.17 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 116.23 -0.441 . . . . 2.06 112.037 176.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.883 HG21 ' HB ' ' A' ' 14' ' ' ILE . 12.5 p -82.22 -34.25 12.12 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.076 0 C-N-CA 120.43 -0.508 . . . . 2.03 110.764 -178.558 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.413 ' O ' ' HG2' ' A' ' 51' ' ' GLU . 11.5 p -62.59 -42.46 96.01 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 C-N-CA 120.175 -0.61 . . . . 1.22 111.061 179.537 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 9.3 p -73.86 -21.37 18.13 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.723 0 CA-C-O 121.707 0.765 . . . . 1.35 110.425 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -86.15 -22.85 26.8 Favored 'General case' 0 C--O 1.21 -1.023 0 CA-C-N 115.867 -0.606 . . . . 1.09 110.124 178.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.11 -32.16 66.71 Favored 'General case' 0 C--N 1.305 -1.349 0 CA-C-N 116.359 -0.382 . . . . 1.07 110.008 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.502 ' CD ' ' H ' ' A' ' 58' ' ' ILE . 5.5 mm-40 -50.91 -55.81 15.33 Favored 'General case' 0 C--N 1.314 -0.963 0 C-N-CA 124.628 1.171 . . . . 0.8 110.514 178.553 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -75.38 -27.98 59.32 Favored 'General case' 0 C--N 1.306 -1.297 0 CA-C-N 114.518 -1.219 . . . . 0.96 111.733 -178.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.0 tpm_? -84.99 -36.88 21.03 Favored 'General case' 0 N--CA 1.437 -1.108 0 N-CA-C 112.462 0.542 . . . . 4.41 112.462 -171.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -108.72 6.72 25.95 Favored 'General case' 0 C--N 1.312 -1.057 0 N-CA-C 112.794 0.664 . . . . 0.49 112.794 -175.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 67.38 36.87 3.72 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 123.745 0.653 . . . . 1.95 110.965 -179.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.485 HG21 ' HA ' ' A' ' 51' ' ' GLU . 22.3 m -114.3 -170.46 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.104 0 CA-C-N 116.204 -0.453 . . . . 1.96 112.038 -178.576 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -167.08 101.62 0.53 Allowed 'General case' 0 C--O 1.247 0.94 0 N-CA-C 106.545 -1.65 . . . . 3.77 106.545 179.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.502 ' H ' ' CD ' ' A' ' 51' ' ' GLU . 33.1 mt -108.17 118.99 51.19 Favored Pre-proline 0 C--N 1.287 -2.141 0 CA-C-N 114.846 -1.07 . . . . 1.24 109.791 -172.766 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.447 ' O ' HG22 ' A' ' 63' ' ' VAL . 27.5 Cg_exo -62.41 129.59 27.27 Favored 'Trans proline' 0 N--CA 1.454 -0.813 0 C-N-CA 122.528 2.152 . . . . 0.79 110.115 176.176 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -50.11 -39.68 43.56 Favored 'General case' 0 N--CA 1.48 1.073 0 N-CA-C 115.351 1.611 . . . . 2.3 115.351 -173.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -83.11 -25.3 32.09 Favored 'General case' 0 C--N 1.305 -1.337 0 C-N-CA 119.086 -1.046 . . . . 2.38 112.874 177.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -71.26 -25.05 62.29 Favored 'General case' 0 C--N 1.314 -0.967 0 N-CA-C 109.529 -0.545 . . . . 1.52 109.529 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.447 HG22 ' O ' ' A' ' 59' ' ' PRO . 58.2 t -55.59 -45.04 78.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 CA-C-N 114.992 -1.004 . . . . 1.42 109.749 174.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -63.88 -8.65 11.73 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-N 115.174 -0.921 . . . . 1.93 113.421 -173.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 56.0 t30 -83.16 -20.11 35.36 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-O 121.138 0.494 . . . . 2.65 109.672 178.028 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 62.1 mt -84.55 176.24 8.75 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.823 -0.806 . . . . 1.24 108.823 -178.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.2 pttm -158.48 -55.32 0.07 Allowed 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 112.613 0.597 . . . . 3.26 112.613 -176.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.71 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 57.9 p -97.49 175.58 6.17 Favored 'General case' 0 N--CA 1.431 -1.392 0 C-N-CA 119.834 -0.746 . . . . 1.17 109.83 179.021 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.525 HG11 ' CZ ' ' A' ' 32' ' ' PHE . 33.4 m -76.28 -13.27 14.7 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.184 0 C-N-CA 120.451 -0.5 . . . . 1.35 110.024 175.266 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -75.8 -27.38 62.89 Favored Glycine 0 N--CA 1.442 -0.918 0 N-CA-C 110.442 -1.063 . . . . 0.46 110.442 174.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -78.37 -38.98 40.54 Favored 'General case' 0 CA--C 1.504 -0.82 0 N-CA-C 107.921 -1.14 . . . . 1.62 107.921 174.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.82 -53.1 56.11 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 114.737 -1.12 . . . . 1.21 110.812 -176.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.513 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 7.2 p -54.48 -55.03 33.19 Favored 'General case' 0 N--CA 1.447 -0.593 0 O-C-N 123.679 0.612 . . . . 1.16 111.553 179.324 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.7 tppt? -55.26 -42.54 73.63 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 124.212 0.945 . . . . 4.01 110.901 -179.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.469 ' HE1' HG12 ' A' ' 58' ' ' ILE . 39.8 t80 -65.76 -46.95 76.89 Favored 'General case' 0 C--O 1.242 0.685 0 CA-C-O 120.919 0.39 . . . . 1.09 110.337 178.683 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.424 HD11 HD23 ' A' ' 11' ' ' LEU . 83.4 mt -59.62 -59.62 3.67 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.59 0 CA-C-N 115.889 -0.596 . . . . 1.26 111.343 -179.566 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' A' ' 73' ' ' THR . 3.5 pp -58.16 -22.61 52.04 Favored 'General case' 0 C--O 1.221 -0.401 0 N-CA-C 112.726 0.639 . . . . 2.3 112.726 -177.146 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -72.1 -35.91 69.33 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-N 115.323 -0.853 . . . . 1.32 111.02 178.124 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.423 ' HD2' ' HA ' ' A' ' 56' ' ' VAL . 24.2 t60 -102.5 -16.94 15.99 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 116.011 -0.54 . . . . 3.57 112.042 -175.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.425 ' HG2' ' HA ' ' A' ' 77' ' ' LEU . 26.6 pt20 -70.92 158.06 37.09 Favored 'General case' 0 C--O 1.251 1.171 0 CA-C-O 120.936 0.398 . . . . 2.23 111.075 -175.514 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.426 -1.65 0 N-CA-C 108.105 -1.072 . . . . 3.38 108.105 177.099 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' SXO . . . . . 0.722 H42A ' HB2' ' A' ' 40' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.553 0 N-CA-C 109.527 -0.546 . . . . 2.71 109.527 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -140.76 -156.83 0.71 Allowed 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 107.657 -1.238 . . . . 1.46 107.657 -177.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 26.2 m -145.16 170.82 15.49 Favored 'General case' 0 C--N 1.307 -1.281 0 N-CA-C 107.987 -1.116 . . . . 2.11 107.987 174.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -47.22 -52.47 15.77 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 114.649 1.352 . . . . 2.34 114.649 -177.018 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -63.64 -44.44 93.86 Favored 'General case' 0 C--O 1.216 -0.685 0 N-CA-C 110.133 -0.321 . . . . 3.05 110.133 -176.013 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -59.27 -38.26 79.67 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 123.631 0.772 . . . . 2.53 111.781 176.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 41.7 mm -68.41 -50.14 59.63 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 N-CA-C 109.214 -0.661 . . . . 1.16 109.214 177.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.422 ' HA ' HD12 ' A' ' 11' ' ' LEU . 93.2 t -59.24 -39.28 78.37 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.036 0 CA-C-O 121.217 0.532 . . . . 1.22 110.839 178.517 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.26 -25.56 66.13 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 123.03 0.532 . . . . 1.24 111.119 177.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -77.52 -44.65 12.44 Favored Glycine 0 N--CA 1.438 -1.204 0 N-CA-C 109.555 -1.418 . . . . 0.38 109.555 175.074 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' A' ' 8' ' ' VAL . 95.3 mt -55.51 -47.01 76.91 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.723 0.809 . . . . 1.12 111.136 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.77 -25.17 67.81 Favored 'General case' 0 C--O 1.214 -0.814 0 CA-C-N 115.599 -0.728 . . . . 1.1 112.736 -177.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -61.65 -48.7 79.64 Favored 'General case' 0 C--O 1.25 1.123 0 C-N-CA 121.207 -0.197 . . . . 2.48 110.534 176.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.543 HG23 ' HA ' ' A' ' 46' ' ' VAL . 3.6 mp -73.62 -39.79 53.99 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 109.037 -0.727 . . . . 1.14 109.037 179.662 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.46 HG12 ' CG1' ' A' ' 21' ' ' ILE . 61.7 t -64.26 -29.33 47.05 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.028 0 C-N-CA 119.946 -0.702 . . . . 1.11 111.879 179.162 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -69.84 -41.82 74.41 Favored 'General case' 0 C--N 1.319 -0.759 0 O-C-N 121.555 -0.715 . . . . 0.95 110.591 175.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.518 ' HG2' ' HA ' ' A' ' 14' ' ' ILE . 10.7 pt-20 -74.55 -23.85 58.85 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.145 -0.622 . . . . 2.11 111.628 -178.783 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 47.1 mm -92.29 -54.47 7.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 C-N-CA 120.907 -0.317 . . . . 1.33 111.229 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -102.24 -26.98 13.13 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 113.253 0.835 . . . . 1.22 113.253 -171.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 86.78 44.27 5.81 Favored Glycine 0 C--N 1.314 -0.681 0 C-N-CA 120.34 -0.933 . . . . 0.93 113.041 178.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.46 ' CG1' HG12 ' A' ' 15' ' ' VAL . 2.6 pp -89.09 155.84 49.32 Favored Pre-proline 0 C--N 1.308 -1.207 0 O-C-N 122.686 -0.302 . . . . 1.31 111.643 179.355 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 21' ' ' ILE . 2.8 Cg_exo -78.7 138.58 15.2 Favored 'Trans proline' 0 N--CA 1.442 -1.518 0 C-N-CA 122.421 2.081 . . . . 0.86 108.947 172.222 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.2 m -85.91 23.93 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.58 0 CA-C-O 121.969 0.89 . . . . 2.05 113.137 -174.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -110.87 -17.05 13.41 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 107.01 -1.478 . . . . 2.03 107.01 174.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.581 ' O ' ' HE3' ' A' ' 30' ' ' LYS . 3.9 t70 -87.57 -47.83 8.4 Favored 'General case' 0 N--CA 1.441 -0.908 0 CA-C-N 114.7 -1.136 . . . . 1.07 110.502 -171.041 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 46.4 t -68.53 93.46 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.427 -0.806 . . . . 1.46 111.003 -177.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.43 ' H ' ' HG3' ' A' ' 30' ' ' LYS . 52.6 mtmt -124.14 178.57 5.26 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 107.895 -1.15 . . . . 3.36 107.895 175.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -51.95 -41.33 61.98 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 114.969 1.47 . . . . 1.64 114.969 -174.149 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -91.31 68.72 5.93 Favored 'General case' 0 C--N 1.312 -1.061 0 C-N-CA 119.18 -1.008 . . . . 2.47 111.08 179.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.581 ' HE3' ' O ' ' A' ' 25' ' ' ASP . 66.6 mmtt -143.07 154.5 44.01 Favored 'General case' 0 C--N 1.303 -1.425 0 CA-C-N 114.064 -1.425 . . . . 1.67 108.821 176.771 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.52 ' OG ' ' HB3' ' A' ' 34' ' ' ASP . 7.4 p -136.01 148.42 48.4 Favored 'General case' 0 C--N 1.287 -2.128 0 N-CA-C 106.492 -1.67 . . . . 1.72 106.492 174.6 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.462 ' O ' ' HB2' ' A' ' 36' ' ' LEU . 99.0 m-85 -66.07 -45.83 79.88 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 114.76 1.393 . . . . 1.03 114.76 -167.781 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.9 t -120.42 30.86 6.73 Favored 'General case' 0 C--N 1.295 -1.784 0 C-N-CA 118.314 -1.354 . . . . 1.85 112.031 -177.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.52 ' HB3' ' OG ' ' A' ' 31' ' ' SER . 11.7 t70 -128.42 -61.76 1.06 Allowed 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 108.335 -0.987 . . . . 2.31 108.335 175.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -81.85 -34.16 30.26 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 108.688 -0.856 . . . . 1.67 108.688 176.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.462 ' HB2' ' O ' ' A' ' 32' ' ' PHE . 91.8 mt -100.16 176.0 5.54 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 116.139 -0.482 . . . . 1.23 110.054 -178.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -109.98 22.45 15.6 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-O 121.814 0.816 . . . . 2.15 109.19 -178.087 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.45 HG22 ' HB3' ' A' ' 36' ' ' LEU . 33.1 t -79.5 106.05 9.92 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.568 0 CA-C-N 114.802 -1.09 . . . . 2.86 108.53 -178.006 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -55.19 126.87 26.64 Favored 'General case' 0 C--N 1.316 -0.851 0 O-C-N 123.862 0.726 . . . . 2.96 109.519 177.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.414 ' O ' HG21 ' A' ' 44' ' ' VAL . 62.1 p -58.11 -47.79 82.18 Favored 'General case' 0 C--N 1.298 -1.657 0 C-N-CA 124.596 1.158 . . . . 1.56 113.364 -173.496 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.6 mp -61.37 -26.8 68.07 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-O 121.601 0.715 . . . . 1.81 109.969 179.068 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 58.1 m -84.32 -25.23 29.41 Favored 'General case' 0 N--CA 1.436 -1.144 0 CA-C-N 115.349 -0.842 . . . . 1.5 111.121 177.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 7.3 tmm? -70.15 -24.01 63.09 Favored 'General case' 0 C--O 1.217 -0.623 0 N-CA-C 107.795 -1.187 . . . . 1.2 107.795 178.399 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.506 ' HA ' HG11 ' A' ' 47' ' ' VAL . 25.9 t -63.29 -26.42 40.81 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.36 0 CA-C-N 115.119 -0.946 . . . . 1.3 109.053 175.298 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -81.44 -18.9 43.71 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.716 0.77 . . . . 2.06 109.553 177.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.543 ' HA ' HG23 ' A' ' 14' ' ' ILE . 88.2 t -78.99 -56.08 8.09 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.276 0 N-CA-C 108.177 -1.045 . . . . 2.03 108.177 175.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.525 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 14.8 p -56.89 -33.47 41.74 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 N-CA-C 112.968 0.729 . . . . 1.22 112.968 -177.661 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 12.7 p -67.11 -27.98 41.19 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.11 0 C-N-CA 120.017 -0.673 . . . . 1.35 110.511 178.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -86.45 -23.36 26.05 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.699 0.762 . . . . 1.09 109.267 176.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.39 -37.38 71.57 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 115.728 -0.669 . . . . 1.07 110.575 179.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.538 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 39.6 mt-10 -57.82 -48.42 79.8 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.318 0.58 . . . . 0.8 110.385 178.311 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -73.23 -35.42 66.28 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.674 -0.694 . . . . 0.96 112.124 -179.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.464 ' HA ' ' HD2' ' A' ' 53' ' ' ARG . 13.3 tpt180 -72.01 -52.1 18.62 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 120.847 0.356 . . . . 4.41 111.85 -178.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -86.92 2.88 47.83 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 116.099 -0.501 . . . . 0.49 111.894 -174.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 26.7 t70 66.38 10.76 7.5 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.256 1.022 . . . . 1.95 111.914 173.165 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.538 ' O ' ' HA ' ' A' ' 51' ' ' GLU . 4.5 p -119.65 121.32 65.94 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.422 0 CA-C-N 115.596 -0.729 . . . . 1.96 109.533 -176.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -70.94 126.87 30.76 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 115.562 -0.745 . . . . 3.77 109.308 179.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 24.9 mt -129.69 95.78 28.47 Favored Pre-proline 0 C--N 1.298 -1.646 0 N-CA-C 107.615 -1.254 . . . . 1.24 107.615 -176.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.409 ' O ' HG22 ' A' ' 63' ' ' VAL . 31.6 Cg_exo -62.4 125.25 15.84 Favored 'Trans proline' 0 N--CA 1.453 -0.863 0 C-N-CA 122.274 1.983 . . . . 0.79 110.197 -179.424 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.614 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 7.2 p-10 -58.86 -25.75 63.59 Favored 'General case' 0 C--O 1.216 -0.698 0 O-C-N 123.245 0.341 . . . . 2.3 111.13 -177.747 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -62.81 -34.93 78.33 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 122.768 0.427 . . . . 2.38 111.004 176.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -84.11 -30.4 25.98 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 108.826 -0.805 . . . . 1.52 108.826 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.915 HG12 ' H5A' ' A' ' 101' ' ' SXO . 91.8 t -59.05 -23.87 25.51 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 CA-C-N 114.829 -1.078 . . . . 1.42 110.833 177.051 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.614 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 92.7 mttt -75.54 -3.07 32.05 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.605 -0.725 . . . . 1.93 111.161 -178.144 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 59.9 m-20 -98.54 -20.81 16.84 Favored 'General case' 0 CA--C 1.509 -0.632 0 N-CA-C 109.56 -0.533 . . . . 2.65 109.56 177.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.677 ' HB2' ' H4 ' ' A' ' 101' ' ' SXO . 55.3 mt -86.22 162.31 18.37 Favored 'General case' 0 N--CA 1.439 -1.008 0 C-N-CA 120.692 -0.403 . . . . 1.24 110.915 -172.504 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 51.3 mtpt -131.03 -62.82 0.88 Allowed 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 112.669 0.618 . . . . 3.26 112.669 -176.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 63.2 p -93.09 177.0 6.2 Favored 'General case' 0 C--N 1.306 -1.296 0 C-N-CA 119.925 -0.71 . . . . 1.17 111.216 -178.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.442 HG13 ' CZ ' ' A' ' 32' ' ' PHE . 24.1 m -83.97 -16.79 10.75 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.084 0 N-CA-C 109.963 -0.384 . . . . 1.35 109.963 177.334 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -78.6 -29.08 53.71 Favored Glycine 0 N--CA 1.443 -0.834 0 N-CA-C 109.044 -1.622 . . . . 0.46 109.044 174.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -77.73 -28.69 50.85 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 114.274 -0.963 . . . . 1.62 108.745 175.144 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.541 ' HA ' HD11 ' A' ' 66' ' ' LEU . . . -73.44 -49.38 27.22 Favored 'General case' 0 C--O 1.245 0.843 0 CA-C-N 115.173 -0.921 . . . . 1.21 110.592 178.32 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.488 ' O ' ' HB2' ' A' ' 77' ' ' LEU . 7.7 p -56.68 -37.89 71.5 Favored 'General case' 0 C--O 1.19 -2.068 0 CA-C-N 116.121 -0.49 . . . . 1.16 111.099 178.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.9 ttpp -51.61 -35.71 42.86 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 123.89 0.876 . . . . 4.01 112.986 179.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -76.67 -54.87 6.07 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.797 0.808 . . . . 1.09 108.987 177.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 93.5 mt -55.14 -46.9 77.77 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.089 0 C-N-CA 125.26 1.424 . . . . 1.26 112.123 -177.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.631 HD13 HE21 ' A' ' 80' ' ' GLN . 14.1 tp -51.68 -23.32 4.28 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 127.472 2.309 . . . . 2.3 112.181 -176.14 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -67.5 -41.2 84.87 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.286 0.565 . . . . 1.32 110.863 -178.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -103.28 -56.62 2.18 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-N 116.165 -0.47 . . . . 3.57 111.93 -179.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.631 HE21 HD13 ' A' ' 77' ' ' LEU . 95.5 mt-30 60.65 -177.14 0.11 Allowed 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.449 1.1 . . . . 2.23 113.248 -177.002 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.427 -1.596 0 N-CA-C 107.544 -1.28 . . . . 3.38 107.544 179.097 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' SXO . . . . . 0.915 ' H5A' HG12 ' A' ' 63' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.578 0 CA-C-O 120.548 0.213 . . . . 2.71 110.691 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -78.21 163.94 25.36 Favored 'General case' 0 C--O 1.214 -0.783 0 C-N-CA 123.903 0.881 . . . . 1.46 110.591 -178.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.585 ' O ' HG12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -102.31 -174.2 2.51 Favored 'General case' 0 C--N 1.306 -1.299 0 C-N-CA 119.356 -0.938 . . . . 2.11 112.744 -174.018 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -44.51 -53.88 6.57 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 114.957 1.466 . . . . 2.34 114.957 -169.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -66.68 -40.97 88.77 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.193 0.521 . . . . 3.05 110.39 -176.016 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -65.9 -34.48 78.23 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.147 -0.933 . . . . 2.53 109.836 177.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.585 HG12 ' O ' ' A' ' 3' ' ' THR . 44.7 mm -61.57 -57.7 10.92 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.789 0 N-CA-C 108.876 -0.787 . . . . 1.16 108.876 177.212 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 70.9 t -51.18 -51.41 22.7 Favored 'Isoleucine or valine' 0 C--O 1.243 0.736 0 C-N-CA 123.568 0.747 . . . . 1.22 110.625 178.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.45 -32.44 71.38 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.814 -0.63 . . . . 1.24 111.649 179.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.447 ' C ' ' HZ ' ' A' ' 54' ' ' PHE . . . -77.83 -40.61 21.19 Favored Glycine 0 C--O 1.216 -0.984 0 N-CA-C 111.473 -0.651 . . . . 0.38 111.473 178.765 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' ' 7' ' ' ILE . 95.9 mt -54.39 -46.25 73.05 Favored 'General case' 0 CA--C 1.506 -0.725 0 C-N-CA 123.558 0.743 . . . . 1.12 110.497 -179.452 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.98 -23.66 67.28 Favored 'General case' 0 C--O 1.199 -1.599 0 CA-C-N 115.338 -0.846 . . . . 1.1 112.211 -179.501 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -66.69 -43.2 85.06 Favored 'General case' 0 CA--C 1.503 -0.85 0 CA-C-O 120.719 0.295 . . . . 2.48 110.243 178.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.582 HG22 ' HA ' ' A' ' 46' ' ' VAL . 4.2 mp -74.21 -39.92 50.14 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.049 0 N-CA-C 108.604 -0.887 . . . . 1.14 108.604 177.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.431 HG11 ' CG1' ' A' ' 21' ' ' ILE . 40.4 t -65.88 -24.03 33.37 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.378 0 C-N-CA 119.987 -0.685 . . . . 1.11 111.026 179.183 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -71.58 -47.72 52.98 Favored 'General case' 0 C--O 1.213 -0.833 0 CA-C-N 116.313 -0.403 . . . . 0.95 110.742 176.269 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.441 ' HG2' ' HA ' ' A' ' 14' ' ' ILE . 11.9 pt-20 -69.09 -23.77 64.05 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.107 0.479 . . . . 2.11 111.553 -178.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.402 ' CG2' ' HB3' ' A' ' 42' ' ' SER . 39.9 mm -89.55 -53.63 8.99 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.067 0 CA-C-N 115.894 -0.594 . . . . 1.33 111.832 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -111.28 -5.78 14.63 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 114.51 1.3 . . . . 1.22 114.51 -172.293 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.3 44.48 74.72 Favored Glycine 0 C--N 1.311 -0.826 0 C-N-CA 120.751 -0.738 . . . . 0.93 113.028 -179.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.431 ' CG1' HG11 ' A' ' 15' ' ' VAL . 2.6 pp -94.79 155.92 38.76 Favored Pre-proline 0 C--N 1.306 -1.294 0 O-C-N 122.331 -0.511 . . . . 1.31 111.142 177.734 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_exo -67.76 137.3 41.51 Favored 'Trans proline' 0 N--CA 1.448 -1.175 0 C-N-CA 121.951 1.767 . . . . 0.86 108.803 172.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 35.6 m -85.31 12.4 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.37 0 CA-C-O 122.259 1.028 . . . . 2.05 112.245 -174.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -114.96 -2.72 12.78 Favored 'General case' 0 C--N 1.286 -2.175 0 CA-C-N 114.112 -1.404 . . . . 2.03 108.396 176.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.444 ' O ' ' HE3' ' A' ' 30' ' ' LYS . 22.2 t70 -80.7 -42.73 21.47 Favored 'General case' 0 CA--C 1.508 -0.647 0 CA-C-N 115.05 -0.977 . . . . 1.07 108.569 -179.027 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 44.9 t -74.95 88.43 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.314 -0.976 0 CA-C-N 114.627 -1.17 . . . . 1.46 110.106 -179.131 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.448 ' HA ' ' HD3' ' A' ' 27' ' ' LYS . 32.8 mmtp -115.01 177.54 4.61 Favored 'General case' 0 C--N 1.31 -1.12 0 N-CA-C 108.845 -0.798 . . . . 3.36 108.845 173.178 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -49.89 -33.51 17.46 Favored 'General case' 0 N--CA 1.486 1.325 0 N-CA-C 115.935 1.828 . . . . 1.64 115.935 -170.405 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -88.41 10.47 19.91 Favored 'General case' 0 C--N 1.309 -1.153 0 N-CA-C 113.495 0.924 . . . . 2.47 113.495 -177.107 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.757 ' HD3' ' HB3' ' A' ' 35' ' ' ASP . 45.0 mmtt -93.67 135.02 35.37 Favored 'General case' 0 C--N 1.301 -1.539 0 CA-C-O 120.617 0.246 . . . . 1.67 111.421 178.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.631 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 29.5 t -111.04 151.32 28.16 Favored 'General case' 0 C--N 1.308 -1.198 0 N-CA-C 106.376 -1.712 . . . . 1.72 106.376 172.271 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.673 ' HA ' HD11 ' A' ' 36' ' ' LEU . 67.4 m-85 -68.09 -36.25 79.48 Favored 'General case' 0 C--O 1.201 -1.461 0 N-CA-C 114.993 1.479 . . . . 1.03 114.993 -166.276 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.433 ' HB ' ' HB3' ' A' ' 40' ' ' SER . 8.1 t -126.48 35.14 4.69 Favored 'General case' 0 C--N 1.273 -2.729 0 CA-C-O 123.449 1.595 . . . . 1.85 109.434 -175.569 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.446 ' HB2' ' HB3' ' A' ' 31' ' ' SER . 5.5 m-20 -136.8 -63.43 0.61 Allowed 'General case' 0 C--N 1.296 -1.725 0 CA-C-N 113.61 -1.632 . . . . 2.31 107.516 -179.533 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.757 ' HB3' ' HD3' ' A' ' 30' ' ' LYS . 8.1 m-20 -90.34 -20.36 22.97 Favored 'General case' 0 CA--C 1.488 -1.413 0 CA-C-N 115.356 -0.838 . . . . 1.67 110.886 -178.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.673 HD11 ' HA ' ' A' ' 32' ' ' PHE . 57.4 mt -91.37 152.07 20.58 Favored 'General case' 0 N--CA 1.418 -2.037 0 CA-C-O 121.566 0.698 . . . . 1.23 111.243 -179.053 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -98.93 37.99 1.45 Allowed 'General case' 0 C--N 1.291 -1.977 0 CA-C-N 114.38 -1.282 . . . . 2.15 109.935 -172.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 14.9 m -105.85 -169.48 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.402 -2.842 0 CA-C-O 121.482 0.658 . . . . 2.86 111.209 -175.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.428 ' O ' ' HB2' ' A' ' 42' ' ' SER . 5.5 m-20 -116.09 119.2 35.08 Favored 'General case' 0 C--N 1.289 -2.05 0 N-CA-C 104.959 -2.237 . . . . 2.96 104.959 169.643 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.433 ' HB3' ' HB ' ' A' ' 33' ' ' THR . 26.3 p -57.64 -33.22 68.07 Favored 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 112.858 0.688 . . . . 1.56 112.858 -176.44 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.0 mp -61.14 -22.42 64.67 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-O 121.506 0.669 . . . . 1.81 110.482 179.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.428 ' HB2' ' O ' ' A' ' 39' ' ' ASP . 35.0 m -84.39 -17.77 38.26 Favored 'General case' 0 N--CA 1.44 -0.936 0 C-N-CA 123.72 0.808 . . . . 1.5 111.337 179.243 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.422 ' HE1' ' O1 ' ' A' ' 101' ' ' SXO . 36.1 ttp -69.14 -21.15 64.03 Favored 'General case' 0 C--O 1.219 -0.518 0 O-C-N 122.09 -0.382 . . . . 1.2 110.788 -175.711 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 59.6 t -54.35 -48.53 67.99 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.137 0 CA-C-N 116.117 -0.492 . . . . 1.3 109.854 178.059 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -63.35 -29.98 71.2 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.858 0.361 . . . . 2.06 111.317 175.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.582 ' HA ' HG22 ' A' ' 14' ' ' ILE . 98.7 t -70.17 -53.41 23.48 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.065 0 CA-C-N 115.938 -0.574 . . . . 2.03 110.244 -179.748 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.508 HG22 HG23 ' A' ' 63' ' ' VAL . 12.7 p -62.13 -38.13 80.15 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 N-CA-C 112.326 0.491 . . . . 1.22 112.326 -177.417 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 14.9 p -70.36 -29.66 39.96 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.799 0 C-N-CA 120.03 -0.668 . . . . 1.35 110.439 178.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.451 ' O ' ' HG2' ' A' ' 53' ' ' ARG . . . -76.23 -31.44 58.38 Favored 'General case' 0 C--O 1.213 -0.846 0 N-CA-C 109.32 -0.622 . . . . 1.09 109.32 176.13 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.19 -40.91 97.63 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-N 116.163 -0.471 . . . . 1.07 109.945 178.04 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.661 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 32.2 mt-10 -55.37 -54.13 47.51 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.27 -0.423 . . . . 0.8 111.426 177.764 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -68.35 -44.23 75.7 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.005 -0.543 . . . . 0.96 112.433 -178.102 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.451 ' HG2' ' O ' ' A' ' 49' ' ' ALA . 14.5 mmt85 -75.38 -36.39 60.91 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 111.981 0.363 . . . . 4.41 111.981 -174.312 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.447 ' HZ ' ' C ' ' A' ' 10' ' ' GLY . 79.4 m-85 -96.08 -2.08 47.37 Favored 'General case' 0 CA--C 1.512 -0.504 0 N-CA-C 113.615 0.969 . . . . 0.49 113.615 -176.392 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 68.5 33.89 3.84 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 123.458 0.474 . . . . 1.95 110.694 176.482 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.794 HG12 HG21 ' A' ' 76' ' ' ILE . 7.0 p -144.97 112.71 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.327 0 CA-C-O 121.439 0.638 . . . . 1.96 110.615 -178.452 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp -78.73 132.94 37.15 Favored 'General case' 0 C--N 1.289 -2.051 0 C-N-CA 119.532 -0.867 . . . . 3.77 111.08 176.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.446 HG23 ' CE1' ' A' ' 75' ' ' TYR . 51.6 mt -129.71 105.83 17.08 Favored Pre-proline 0 C--N 1.295 -1.768 0 CA-C-N 114.426 -1.261 . . . . 1.24 108.169 -172.74 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.496 ' O ' HG21 ' A' ' 63' ' ' VAL . 48.5 Cg_exo -58.52 123.49 13.7 Favored 'Trans proline' 0 C--O 1.24 0.588 0 C-N-CA 123.128 2.552 . . . . 0.79 111.911 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -54.72 -27.45 40.83 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 114.308 1.225 . . . . 2.3 114.308 -175.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -68.91 -38.25 79.45 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 120.552 0.215 . . . . 2.38 111.481 177.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -76.35 -34.53 58.96 Favored 'General case' 0 C--O 1.244 0.78 0 CA-C-O 121.205 0.526 . . . . 1.52 109.875 -177.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.656 HG12 ' H6A' ' A' ' 101' ' ' SXO . 85.2 t -49.72 -51.55 15.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 CA-C-N 114.003 -1.453 . . . . 1.42 110.992 179.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -65.44 -11.5 43.49 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 123.344 0.657 . . . . 1.93 112.251 -172.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -94.5 -8.51 38.18 Favored 'General case' 0 C--N 1.298 -1.673 0 CA-C-O 121.16 0.505 . . . . 2.65 111.319 -178.627 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.647 ' HB2' ' H4A' ' A' ' 101' ' ' SXO . 96.0 mt -91.63 -176.95 4.65 Favored 'General case' 0 C--N 1.314 -0.953 0 N-CA-C 108.077 -1.083 . . . . 1.24 108.077 176.2 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 40.8 pttt -148.75 -71.84 0.2 Allowed 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 113.718 1.007 . . . . 3.26 113.718 -179.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.631 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 66.5 p -80.47 170.73 15.97 Favored 'General case' 0 C--N 1.314 -0.973 0 C-N-CA 119.436 -0.905 . . . . 1.17 110.747 -176.117 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 33.9 m -73.42 -13.65 16.22 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.028 0 N-CA-C 109.671 -0.492 . . . . 1.35 109.671 175.381 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -78.39 -37.9 26.53 Favored Glycine 0 N--CA 1.435 -1.418 0 N-CA-C 109.584 -1.407 . . . . 0.46 109.584 175.29 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -71.56 -32.33 67.99 Favored 'General case' 0 CA--C 1.505 -0.754 0 N-CA-C 108.823 -0.806 . . . . 1.62 108.823 177.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.51 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -69.5 -55.02 11.4 Favored 'General case' 0 N--CA 1.431 -1.415 0 CA-C-N 114.607 -1.178 . . . . 1.21 109.762 -179.006 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.644 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 13.8 p -56.57 -39.58 73.72 Favored 'General case' 0 N--CA 1.444 -0.748 0 O-C-N 123.726 0.641 . . . . 1.16 112.02 -178.551 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.8 tppt? -54.4 -44.58 72.45 Favored 'General case' 0 CA--C 1.535 0.377 0 O-C-N 123.909 0.756 . . . . 4.01 110.996 178.078 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.446 ' CE1' HG23 ' A' ' 58' ' ' ILE . 55.9 t80 -73.46 -47.98 37.2 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.087 0.47 . . . . 1.09 110.074 178.102 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.794 HG21 HG12 ' A' ' 56' ' ' VAL . 93.7 mt -52.69 -65.76 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.076 -0.966 . . . . 1.26 111.836 -177.365 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.644 ' HG ' ' O ' ' A' ' 73' ' ' THR . 2.9 pp -64.4 -22.46 66.97 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.733 0.642 . . . . 2.3 112.733 -174.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -75.76 -27.87 58.23 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 121.991 0.901 . . . . 1.32 110.201 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 13.8 t60 -94.81 -6.65 42.41 Favored 'General case' 0 C--N 1.303 -1.425 0 CA-C-N 115.603 -0.726 . . . . 3.57 109.581 -179.265 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.723 ' HG2' ' HB ' ' A' ' 56' ' ' VAL . 27.1 mt-30 -92.33 164.38 13.53 Favored 'General case' 0 C--O 1.244 0.778 0 CA-C-O 121.629 0.728 . . . . 2.23 111.875 -178.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.429 -1.502 0 N-CA-C 107.916 -1.142 . . . . 3.38 107.916 175.279 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' SXO . . . . . 0.656 ' H6A' HG12 ' A' ' 63' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.56 0 N-CA-C 108.975 -0.75 . . . . 2.71 108.975 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.405 ' HB2' ' HB2' ' A' ' 6' ' ' GLU . . . -130.71 168.0 17.89 Favored 'General case' 0 C--N 1.297 -1.701 0 N-CA-C 108.286 -1.005 . . . . 1.46 108.286 -179.469 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.551 ' O ' HG12 ' A' ' 7' ' ' ILE . 4.0 m -105.13 171.28 7.4 Favored 'General case' 0 N--CA 1.427 -1.588 0 C-N-CA 120.353 -0.539 . . . . 2.11 110.537 -176.189 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.455 ' HB2' HD13 ' A' ' 28' ' ' LEU . 15.3 pt20 -40.1 -46.01 2.08 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 115.78 1.77 . . . . 2.34 115.78 -173.236 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -65.64 -53.17 45.18 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 109.5 -0.556 . . . . 3.05 109.5 -178.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.405 ' HB2' ' HB2' ' A' ' 2' ' ' ALA . 1.6 mp0 -62.09 -34.05 75.57 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.191 -0.913 . . . . 2.53 110.159 178.568 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.551 HG12 ' O ' ' A' ' 3' ' ' THR . 35.1 mm -61.17 -56.21 19.42 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.724 0 CA-C-N 116.211 -0.45 . . . . 1.16 109.855 177.698 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.521 ' HA ' HD11 ' A' ' 11' ' ' LEU . 85.4 t -59.11 -38.53 74.71 Favored 'Isoleucine or valine' 0 C--O 1.242 0.701 0 CA-C-O 120.811 0.339 . . . . 1.22 111.15 -179.756 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.07 -37.74 88.55 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.216 0.532 . . . . 1.24 110.108 176.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.43 ' O ' ' HG2' ' A' ' 13' ' ' GLU . . . -71.73 -26.68 72.35 Favored Glycine 0 C--O 1.207 -1.55 0 N-CA-C 111.268 -0.733 . . . . 0.38 111.268 178.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.521 HD11 ' HA ' ' A' ' 8' ' ' VAL . 96.4 mt -66.18 -44.7 83.25 Favored 'General case' 0 C--N 1.309 -1.178 0 N-CA-C 109.102 -0.703 . . . . 1.12 109.102 175.766 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.22 -27.65 69.5 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 113.623 0.972 . . . . 1.1 113.623 -176.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.69 ' HG3' HD11 ' A' ' 14' ' ' ILE . 10.8 pt-20 -67.92 -31.79 71.8 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 119.774 -0.77 . . . . 2.48 111.081 179.276 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.69 HD11 ' HG3' ' A' ' 13' ' ' GLU . 3.7 mp -86.38 -41.85 15.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 108.694 -0.854 . . . . 1.14 108.694 174.722 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.511 HG13 HG13 ' A' ' 21' ' ' ILE . 84.0 t -61.66 -31.74 51.66 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.244 0 N-CA-C 112.958 0.725 . . . . 1.11 112.958 -178.257 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -71.98 -30.98 65.83 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 121.28 -0.888 . . . . 0.95 110.113 175.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -70.23 -41.96 72.88 Favored 'General case' 0 C--N 1.31 -1.136 0 N-CA-C 109.154 -0.684 . . . . 2.11 109.154 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.408 HG13 HG21 ' A' ' 46' ' ' VAL . 47.2 mm -80.73 -53.47 12.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.4 -0.818 . . . . 1.33 112.228 -176.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -103.69 -49.06 3.76 Favored 'General case' 0 C--N 1.306 -1.296 0 CA-C-O 121.149 0.499 . . . . 1.22 111.132 -175.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 101.11 43.75 2.16 Favored Glycine 0 C--N 1.304 -1.202 0 C-N-CA 119.823 -1.179 . . . . 0.93 112.848 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.511 HG13 HG13 ' A' ' 15' ' ' VAL . 1.6 pp -82.31 162.2 57.18 Favored Pre-proline 0 C--N 1.301 -1.519 0 O-C-N 122.998 -0.119 . . . . 1.31 110.751 175.554 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.506 ' HB2' ' HB2' ' A' ' 25' ' ' ASP . 15.1 Cg_exo -71.09 127.43 13.53 Favored 'Trans proline' 0 N--CA 1.442 -1.536 0 N-CA-C 108.135 -1.525 . . . . 0.86 108.135 173.226 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.1 m -76.65 -5.81 8.01 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.385 0 N-CA-C 112.741 0.645 . . . . 2.05 112.741 -175.121 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -88.1 -21.73 24.53 Favored 'General case' 0 C--N 1.314 -0.947 0 N-CA-C 107.552 -1.277 . . . . 2.03 107.552 174.407 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.506 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 20.2 t70 -82.09 -30.54 31.19 Favored 'General case' 0 C--N 1.307 -1.282 0 CA-C-N 115.01 -0.996 . . . . 1.07 110.831 -172.061 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.534 ' HA ' ' HG3' ' A' ' 30' ' ' LYS . 22.0 t -75.75 83.09 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.313 -0.991 0 CA-C-N 115.282 -0.872 . . . . 1.46 109.95 -178.77 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -100.6 177.79 4.9 Favored 'General case' 0 C--N 1.297 -1.677 0 CA-C-N 114.542 -1.208 . . . . 3.36 108.651 177.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.455 HD13 ' HB2' ' A' ' 4' ' ' GLN . 4.2 mm? -59.6 -21.31 60.21 Favored 'General case' 0 N--CA 1.492 1.638 0 N-CA-C 112.865 0.691 . . . . 1.64 112.865 178.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -90.61 32.61 0.96 Allowed 'General case' 0 C--N 1.305 -1.361 0 CA-C-O 120.952 0.406 . . . . 2.47 111.457 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.534 ' HG3' ' HA ' ' A' ' 26' ' ' VAL . 71.6 mmtt -115.47 171.74 7.53 Favored 'General case' 0 C--N 1.303 -1.456 0 CA-C-O 121.717 0.77 . . . . 1.67 112.994 179.68 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.445 ' HB2' HG21 ' A' ' 68' ' ' THR . 19.9 t -149.93 153.52 36.76 Favored 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 105.186 -2.153 . . . . 1.72 105.186 178.273 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -67.37 -51.98 45.53 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 113.442 0.904 . . . . 1.03 113.442 -169.26 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.533 ' HB ' ' O ' ' A' ' 38' ' ' VAL . 11.5 t -123.18 19.49 9.88 Favored 'General case' 0 C--N 1.285 -2.223 0 C-N-CA 118.514 -1.274 . . . . 1.85 110.778 -179.413 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -116.24 -39.78 3.36 Favored 'General case' 0 C--N 1.3 -1.573 0 C-N-CA 119.314 -0.954 . . . . 2.31 110.722 179.019 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -107.61 -29.15 9.32 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 108.81 -0.811 . . . . 1.67 108.81 177.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 93.7 mt -100.04 -171.23 2.0 Favored 'General case' 0 C--O 1.24 0.573 0 N-CA-C 109.236 -0.653 . . . . 1.23 109.236 177.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -128.95 78.41 1.85 Allowed 'General case' 0 C--N 1.308 -1.212 0 N-CA-C 107.439 -1.319 . . . . 2.15 107.439 -178.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.533 ' O ' ' HB ' ' A' ' 33' ' ' THR . 25.3 t -137.94 113.82 10.61 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.435 0 CA-C-N 114.011 -1.449 . . . . 2.86 107.881 -177.43 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -56.16 122.95 12.9 Favored 'General case' 0 CA--C 1.507 -0.69 0 N-CA-C 109.505 -0.554 . . . . 2.96 109.505 175.212 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.401 ' HA ' ' HB2' ' A' ' 43' ' ' MET . 75.3 p -66.6 -32.42 73.74 Favored 'General case' 0 C--N 1.304 -1.404 0 CA-C-O 121.157 0.503 . . . . 1.56 112.238 -175.007 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -61.25 -33.14 73.04 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-O 121.845 0.831 . . . . 1.81 108.986 176.347 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 32.8 m -84.8 -17.41 38.26 Favored 'General case' 0 N--CA 1.44 -0.93 0 C-N-CA 124.537 1.135 . . . . 1.5 111.612 177.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.401 ' HB2' ' HA ' ' A' ' 40' ' ' SER . 8.4 tmm? -69.32 -22.23 63.79 Favored 'General case' 0 C--O 1.217 -0.64 0 N-CA-C 107.952 -1.129 . . . . 1.2 107.952 179.714 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.483 ' HA ' HG12 ' A' ' 47' ' ' VAL . 40.4 t -63.75 -23.79 34.2 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.448 0 CA-C-N 115.329 -0.85 . . . . 1.3 110.056 176.557 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -82.68 -21.98 34.72 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-O 121.717 0.77 . . . . 2.06 109.153 175.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.453 ' HA ' HG21 ' A' ' 14' ' ' ILE . 86.0 t -76.76 -57.35 6.09 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 N-CA-C 108.579 -0.897 . . . . 2.03 108.579 177.675 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.522 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 9.8 p -51.78 -41.21 29.06 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.632 0 N-CA-C 113.079 0.77 . . . . 1.22 113.079 -177.635 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 11.1 p -63.86 -32.43 57.04 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.789 0 C-N-CA 120.57 -0.452 . . . . 1.35 111.129 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.52 ' O ' ' HB2' ' A' ' 53' ' ' ARG . . . -86.01 -16.74 37.29 Favored 'General case' 0 C--O 1.213 -0.816 0 CA-C-N 115.878 -0.601 . . . . 1.09 109.999 179.121 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -81.54 -37.8 27.2 Favored 'General case' 0 C--N 1.306 -1.304 0 CA-C-N 116.025 -0.534 . . . . 1.07 110.008 177.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.522 ' HG3' ' O ' ' A' ' 47' ' ' VAL . 44.1 mt-10 -55.99 -43.29 77.51 Favored 'General case' 0 C--O 1.241 0.651 0 CA-C-O 121.341 0.591 . . . . 0.8 111.215 178.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.77 -32.01 59.74 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.389 -0.823 . . . . 0.96 111.238 179.002 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.52 ' HB2' ' O ' ' A' ' 49' ' ' ALA . 2.5 tpp180 -70.94 -47.33 59.62 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.259 -0.882 . . . . 4.41 110.769 -174.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.438 ' HB2' HG13 ' A' ' 56' ' ' VAL . 65.6 m-85 -97.6 -10.58 24.87 Favored 'General case' 0 C--N 1.311 -1.093 0 N-CA-C 113.184 0.809 . . . . 0.49 113.184 -174.441 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.426 ' HB2' ' O ' ' A' ' 54' ' ' PHE . 19.8 m-20 70.41 50.13 0.41 Allowed 'General case' 0 N--CA 1.494 1.742 0 CA-C-O 121.613 0.72 . . . . 1.95 110.53 -176.662 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.912 HG11 HG21 ' A' ' 76' ' ' ILE . 3.1 p -147.77 106.79 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.297 -1.712 0 CA-C-N 114.993 -1.003 . . . . 1.96 109.7 -179.466 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 59.6 pttt -72.92 131.41 42.18 Favored 'General case' 0 C--N 1.291 -1.935 0 CA-C-N 115.522 -0.763 . . . . 3.77 109.383 177.336 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 59.4 mt -125.01 97.87 37.29 Favored Pre-proline 0 C--N 1.288 -2.105 0 CA-C-N 114.819 -1.082 . . . . 1.24 108.374 -175.25 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.418 ' HD2' ' HB2' ' A' ' 62' ' ' ASP . 33.0 Cg_exo -62.74 156.29 54.15 Favored 'Trans proline' 0 C--O 1.248 0.986 0 C-N-CA 122.397 2.065 . . . . 0.79 110.442 177.445 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.553 ' HA ' HG13 ' A' ' 63' ' ' VAL . 24.4 t70 -57.57 -38.73 75.29 Favored 'General case' 0 C--N 1.305 -1.364 0 CA-C-O 121.358 0.599 . . . . 2.3 111.292 -178.222 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -61.96 -36.7 82.2 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 115.484 -0.78 . . . . 2.38 111.491 177.121 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.418 ' HB2' ' HD2' ' A' ' 59' ' ' PRO . 1.7 m-20 -80.36 -32.92 37.65 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.894 -0.594 . . . . 1.52 112.462 -179.834 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.553 HG13 ' HA ' ' A' ' 60' ' ' ASP . 7.9 p -69.47 -45.24 78.94 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.499 0 CA-C-O 121.101 0.477 . . . . 1.42 110.355 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -64.77 -13.39 55.1 Favored 'General case' 0 C--N 1.31 -1.152 0 CA-C-N 115.284 -0.871 . . . . 1.93 112.554 177.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -83.05 -19.54 36.68 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-O 121.133 0.492 . . . . 2.65 110.426 -178.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.555 HD12 ' HA ' ' A' ' 72' ' ' ALA . 77.0 mt -95.86 174.5 6.92 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 116.169 -0.469 . . . . 1.24 110.338 -174.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.631 ' HZ1' ' HB3' ' A' ' 67' ' ' LYS . 0.3 OUTLIER -143.71 -58.25 0.4 Allowed 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 113.9 1.074 . . . . 3.26 113.9 -178.902 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.445 HG21 ' HB2' ' A' ' 31' ' ' SER . 64.0 p -99.21 -175.61 3.07 Favored 'General case' 0 N--CA 1.437 -1.121 0 O-C-N 121.674 -0.641 . . . . 1.17 109.556 -177.234 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.444 HG22 ' O ' ' A' ' 30' ' ' LYS . 33.4 m -84.62 -24.73 7.22 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.118 0 C-N-CA 119.727 -0.789 . . . . 1.35 109.752 177.186 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -82.51 -21.99 59.2 Favored Glycine 0 C--N 1.34 0.796 0 N-CA-C 110.691 -0.964 . . . . 0.46 110.691 178.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -78.83 -34.81 44.89 Favored 'General case' 0 C--N 1.305 -1.367 0 CA-C-N 114.873 -0.664 . . . . 1.62 109.29 175.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.555 ' HA ' HD12 ' A' ' 66' ' ' LEU . . . -77.05 -42.44 38.42 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 114.934 -1.03 . . . . 1.21 112.966 -177.374 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.537 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 1.6 p -49.47 -42.71 43.93 Favored 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 113.429 0.9 . . . . 1.16 113.429 -176.426 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -60.74 -44.13 97.05 Favored 'General case' 0 C--O 1.217 -0.612 0 O-C-N 123.645 0.59 . . . . 4.01 111.471 -178.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -65.28 -43.91 89.7 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.01 0.433 . . . . 1.09 110.003 177.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.912 HG21 HG11 ' A' ' 56' ' ' VAL . 93.5 mt -58.02 -65.78 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 114.769 -1.105 . . . . 1.26 111.036 -178.338 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' A' ' 73' ' ' THR . 3.4 pp -61.83 -22.61 65.64 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 113.184 0.809 . . . . 2.3 113.184 -175.569 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -78.53 -32.59 48.03 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-N 115.932 -0.576 . . . . 1.32 111.026 179.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.819 ' HB3' HG22 ' A' ' 56' ' ' VAL . 13.0 t-80 -98.68 -5.04 32.39 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 116.168 -0.469 . . . . 3.57 110.538 -173.328 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.584 ' HG3' ' O ' ' A' ' 76' ' ' ILE . 23.1 mt-30 -66.43 141.67 57.84 Favored 'General case' 0 CA--C 1.495 -1.139 0 N-CA-C 113.471 0.915 . . . . 2.23 113.471 -178.481 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.434 -1.243 0 CA-C-N 113.971 -1.468 . . . . 3.38 107.663 175.317 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' SXO . . . . . 0.471 ' N36' H28A ' A' ' 101' ' ' SXO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.519 ' N ' ' HB3' ' A' ' 55' ' ' ASP . . . . . . . . 0 N--CA 1.449 -0.52 0 N-CA-C 109.559 -0.534 . . . . 2.71 109.559 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -105.7 145.06 31.58 Favored 'General case' 0 N--CA 1.432 -1.333 0 N-CA-C 108.342 -0.984 . . . . 1.46 108.342 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.408 ' O ' HG12 ' A' ' 7' ' ' ILE . 4.0 m -92.55 166.66 12.4 Favored 'General case' 0 C--N 1.281 -2.374 0 C-N-CA 118.387 -1.325 . . . . 2.11 109.703 -177.209 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -43.92 -51.64 7.45 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 114.997 1.48 . . . . 2.34 114.997 -170.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -63.53 -29.32 70.6 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-O 121.666 0.746 . . . . 3.05 111.34 -178.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -85.79 -30.56 22.92 Favored 'General case' 0 N--CA 1.432 -1.353 0 CA-C-N 115.148 -0.933 . . . . 2.53 109.157 -178.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.468 HD11 HG21 ' A' ' 76' ' ' ILE . 37.1 mm -63.14 -60.63 2.46 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.702 0 N-CA-C 108.343 -0.984 . . . . 1.16 108.343 175.151 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 97.9 t -52.13 -50.37 36.04 Favored 'Isoleucine or valine' 0 C--O 1.244 0.806 0 C-N-CA 123.775 0.83 . . . . 1.22 111.458 -178.106 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.57 -42.32 82.82 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.202 -0.454 . . . . 1.24 111.16 179.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -71.16 -41.21 60.49 Favored Glycine 0 N--CA 1.436 -1.36 0 CA-C-N 115.849 -0.614 . . . . 0.38 111.574 -178.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 7' ' ' ILE . 91.5 mt -54.46 -47.98 72.28 Favored 'General case' 0 CA--C 1.507 -0.707 0 C-N-CA 123.142 0.577 . . . . 1.12 110.442 178.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.72 -23.52 67.4 Favored 'General case' 0 N--CA 1.44 -0.973 0 CA-C-N 115.38 -0.827 . . . . 1.1 112.601 -178.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -63.89 -49.23 73.51 Favored 'General case' 0 C--O 1.245 0.841 0 CA-C-O 120.776 0.322 . . . . 2.48 110.564 177.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.632 HG22 ' HA ' ' A' ' 46' ' ' VAL . 3.9 mp -72.69 -42.43 62.28 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.05 0 N-CA-C 108.542 -0.91 . . . . 1.14 108.542 179.507 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.425 HG12 ' CG1' ' A' ' 21' ' ' ILE . 88.8 t -59.1 -40.45 80.91 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.827 0 N-CA-C 112.457 0.54 . . . . 1.11 112.457 -178.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.436 ' HA ' ' H ' ' A' ' 21' ' ' ILE . 50.1 t-20 -65.84 -41.37 91.81 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.456 -0.572 . . . . 0.95 109.456 178.301 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -67.25 -46.41 73.82 Favored 'General case' 0 C--N 1.309 -1.191 0 CA-C-O 121.47 0.653 . . . . 2.11 110.447 -179.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 28.4 mm -70.92 -53.76 20.44 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.079 0 CA-C-N 115.598 -0.728 . . . . 1.33 112.519 -176.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -115.98 -35.17 4.51 Favored 'General case' 0 C--N 1.309 -1.173 0 N-CA-C 112.633 0.605 . . . . 1.22 112.633 -173.399 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.72 95.59 2.12 Favored Glycine 0 N--CA 1.436 -1.31 0 C-N-CA 119.77 -1.205 . . . . 0.93 112.243 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.436 ' H ' ' HA ' ' A' ' 16' ' ' ASN . 2.5 pp -132.27 160.95 65.85 Favored Pre-proline 0 C--N 1.297 -1.713 0 N-CA-C 109.255 -0.646 . . . . 1.31 109.255 176.503 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.449 ' HB2' ' HB2' ' A' ' 25' ' ' ASP . 15.9 Cg_exo -73.86 142.81 32.27 Favored 'Trans proline' 0 CA--C 1.548 1.193 0 C-N-CA 122.095 1.864 . . . . 0.86 110.604 172.51 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 32.1 m -80.04 7.92 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 N-CA-C 113.041 0.756 . . . . 2.05 113.041 -174.219 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -130.44 9.22 5.1 Favored 'General case' 0 C--N 1.294 -1.805 0 N-CA-C 108.559 -0.904 . . . . 2.03 108.559 177.255 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.6 ' O ' ' HE3' ' A' ' 30' ' ' LYS . 25.8 t70 -92.24 -33.7 14.56 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-O 121.413 0.625 . . . . 1.07 110.709 -176.286 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.5 ' HA ' ' HG3' ' A' ' 30' ' ' LYS . 45.2 t -77.0 88.95 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.296 -1.728 0 CA-C-N 115.217 -0.901 . . . . 1.46 111.956 -174.691 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -94.39 -174.0 3.22 Favored 'General case' 0 C--N 1.306 -1.304 0 N-CA-C 106.732 -1.581 . . . . 3.36 106.732 167.18 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.507 HD11 ' HA2' ' A' ' 70' ' ' GLY . 3.1 mm? -68.72 -31.81 71.15 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 118.506 0.594 . . . . 1.64 111.882 -174.845 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -81.65 36.91 0.45 Allowed 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.806 0.842 . . . . 2.47 111.49 -176.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.6 ' HE3' ' O ' ' A' ' 25' ' ' ASP . 60.3 mmtt -122.54 121.11 35.75 Favored 'General case' 0 C--N 1.314 -0.936 0 C-N-CA 123.609 0.763 . . . . 1.67 109.993 -179.8 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.631 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 32.4 t -104.53 141.55 36.19 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 108.552 -0.907 . . . . 1.72 108.552 177.503 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.606 ' HA ' HD12 ' A' ' 36' ' ' LEU . 98.4 m-85 -56.34 -44.65 80.26 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 114.509 1.299 . . . . 1.03 114.509 -168.511 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.5 t -122.28 41.13 3.49 Favored 'General case' 0 C--N 1.285 -2.199 0 CA-C-O 122.575 1.179 . . . . 1.85 110.792 -179.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -137.03 -61.38 0.66 Allowed 'General case' 0 C--N 1.294 -1.832 0 N-CA-C 107.887 -1.153 . . . . 2.31 107.887 174.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -87.48 -35.84 18.0 Favored 'General case' 0 CA--C 1.491 -1.303 0 CA-C-N 114.524 -1.216 . . . . 1.67 109.109 179.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.606 HD12 ' HA ' ' A' ' 32' ' ' PHE . 84.3 mt -92.83 156.74 16.79 Favored 'General case' 0 N--CA 1.43 -1.433 0 CA-C-N 115.458 -0.792 . . . . 1.23 110.316 -175.448 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -93.9 40.71 1.08 Allowed 'General case' 0 C--N 1.309 -1.161 0 CA-C-O 122.638 1.209 . . . . 2.15 108.954 -177.388 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.457 HG22 ' HB3' ' A' ' 36' ' ' LEU . 39.5 t -99.15 115.37 39.63 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.437 0 CA-C-N 115.269 -0.878 . . . . 2.86 110.846 -175.104 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -58.46 118.62 5.79 Favored 'General case' 0 CA--C 1.509 -0.625 0 N-CA-C 105.959 -1.867 . . . . 2.96 105.959 168.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . 0.417 2.8 p -67.32 -30.0 69.72 Favored 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 117.767 2.506 . . . . 1.56 117.767 -170.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.9 mp -64.75 -24.09 67.45 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 118.791 -1.164 . . . . 1.81 110.442 172.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.3 m -84.17 -14.35 50.4 Favored 'General case' 0 N--CA 1.43 -1.435 0 CA-C-N 115.618 -0.719 . . . . 1.5 110.8 179.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.472 ' HE1' ' H3 ' ' A' ' 101' ' ' SXO . 5.1 tmm? -72.39 -23.11 61.06 Favored 'General case' 0 C--O 1.215 -0.74 0 N-CA-C 107.815 -1.18 . . . . 1.2 107.815 179.256 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.506 ' HA ' HG13 ' A' ' 47' ' ' VAL . 47.9 t -62.64 -28.12 44.22 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.256 0 CA-C-N 115.821 -0.627 . . . . 1.3 110.201 177.737 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -74.73 -25.17 58.93 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.7 -0.852 . . . . 2.06 108.7 178.248 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.632 ' HA ' HG22 ' A' ' 14' ' ' ILE . 59.7 t -76.71 -60.63 2.16 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 CA-C-N 114.929 -1.032 . . . . 2.03 108.939 179.503 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.506 HG13 ' HA ' ' A' ' 44' ' ' VAL . 11.8 p -52.91 -42.05 42.24 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.105 0 N-CA-C 113.113 0.783 . . . . 1.22 113.113 -177.166 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 9.0 p -68.47 -26.67 34.08 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.13 0 CA-C-O 121.327 0.584 . . . . 1.35 111.179 -178.42 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -86.3 -26.84 24.71 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.767 0.794 . . . . 1.09 109.685 178.237 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.52 -36.87 76.84 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-N 115.506 -0.77 . . . . 1.07 111.039 -179.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -50.78 -56.68 10.96 Favored 'General case' 0 CA--C 1.533 0.315 0 O-C-N 123.713 0.633 . . . . 0.8 111.622 179.447 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -66.98 -39.91 87.3 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 115.621 -0.718 . . . . 0.96 112.832 -178.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -70.89 -38.97 73.06 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.704 0.631 . . . . 4.41 112.704 -174.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -94.01 -11.4 30.87 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.03 0.381 . . . . 0.49 112.03 -177.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.519 ' HB3' ' N ' ' A' ' 1' ' ' ALA . 38.6 t70 69.79 68.81 0.24 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 122.448 1.118 . . . . 1.95 110.329 -177.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.729 ' HB ' ' HG2' ' A' ' 80' ' ' GLN . 13.7 p -155.01 163.65 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.402 0 CA-C-N 114.04 -1.437 . . . . 1.96 107.208 -179.77 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.429 ' HE3' ' HB3' ' A' ' 57' ' ' LYS . 22.5 mtpp -129.76 131.59 46.3 Favored 'General case' 0 C--N 1.291 -1.96 0 N-CA-C 109.638 -0.504 . . . . 3.77 109.638 172.393 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 61.4 mt -125.03 105.73 28.94 Favored Pre-proline 0 C--N 1.297 -1.711 0 CA-C-N 115.281 -0.872 . . . . 1.24 108.767 -176.172 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.436 ' O ' HG23 ' A' ' 63' ' ' VAL . 15.2 Cg_exo -71.16 156.89 58.72 Favored 'Trans proline' 0 N--CA 1.461 -0.431 0 C-N-CA 123.362 2.708 . . . . 0.79 112.238 179.307 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -45.26 -43.08 10.18 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 125.716 1.606 . . . . 2.3 112.325 -178.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -67.75 -27.84 67.12 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 115.644 -0.707 . . . . 2.38 111.834 -177.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.415 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 37.0 m-20 -86.59 -37.58 17.97 Favored 'General case' 0 C--N 1.308 -1.209 0 O-C-N 122.12 -0.363 . . . . 1.52 110.757 178.689 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.554 ' O ' ' H2 ' ' A' ' 101' ' ' SXO . 87.5 t -53.39 -52.65 30.03 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.08 0 O-C-N 123.728 0.642 . . . . 1.42 109.481 177.588 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.69 ' HG2' H37A ' A' ' 101' ' ' SXO . 88.8 mttt -72.42 -9.64 58.78 Favored 'General case' 0 C--N 1.31 -1.139 0 N-CA-C 113.109 0.781 . . . . 1.93 113.109 -177.764 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -91.91 -31.04 15.82 Favored 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 111.91 0.337 . . . . 2.65 111.91 -176.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.466 HD12 ' HA ' ' A' ' 72' ' ' ALA . 60.4 mt -73.04 175.4 6.71 Favored 'General case' 0 C--N 1.319 -0.755 0 C-N-CA 121.33 -0.148 . . . . 1.24 110.797 -175.408 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -141.18 -68.89 0.39 Allowed 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 113.408 0.892 . . . . 3.26 113.408 -178.228 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.631 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 36.0 p -93.34 178.62 5.66 Favored 'General case' 0 N--CA 1.435 -1.183 0 N-CA-C 109.465 -0.568 . . . . 1.17 109.465 178.245 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.468 ' O ' HG21 ' A' ' 73' ' ' THR . 34.3 m -75.35 -26.15 18.41 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.299 0 N-CA-C 108.759 -0.83 . . . . 1.35 108.759 173.574 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.507 ' HA2' HD11 ' A' ' 28' ' ' LEU . . . -69.77 -46.2 54.68 Favored Glycine 0 N--CA 1.44 -1.051 0 N-CA-C 110.264 -1.135 . . . . 0.46 110.264 176.419 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -62.31 -28.84 70.01 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-O 121.717 0.77 . . . . 1.62 109.734 178.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.472 ' O ' HG13 ' A' ' 76' ' ' ILE . . . -78.9 -45.8 19.81 Favored 'General case' 0 N--CA 1.43 -1.439 0 CA-C-N 115.034 -0.985 . . . . 1.21 110.811 -179.558 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.468 HG21 ' O ' ' A' ' 69' ' ' VAL . 38.8 p -51.41 -38.34 53.0 Favored 'General case' 0 C--N 1.351 0.649 0 N-CA-C 113.608 0.966 . . . . 1.16 113.608 -176.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.7 tmtt? -63.01 -53.2 57.64 Favored 'General case' 0 C--O 1.211 -0.93 0 N-CA-C 108.603 -0.888 . . . . 4.01 108.603 179.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -59.35 -45.13 92.26 Favored 'General case' 0 N--CA 1.466 0.335 0 O-C-N 123.201 0.313 . . . . 1.09 111.157 -178.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.595 HD11 ' H8 ' ' A' ' 101' ' ' SXO . 79.5 mt -57.6 -64.34 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 109.434 -0.58 . . . . 1.26 109.434 179.717 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 49.9 tp -55.1 -29.09 56.9 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.751 0.821 . . . . 2.3 111.752 -178.069 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -74.82 -43.96 51.86 Favored 'General case' 0 C--N 1.309 -1.168 0 CA-C-N 115.453 -0.794 . . . . 1.32 110.861 -179.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 24.7 t-80 -90.45 -19.51 23.81 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.815 -0.629 . . . . 3.57 111.81 -172.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.729 ' HG2' ' HB ' ' A' ' 56' ' ' VAL . 23.2 mt-30 -53.64 122.92 10.82 Favored 'General case' 0 N--CA 1.482 1.171 0 N-CA-C 114.04 1.126 . . . . 2.23 114.04 -178.74 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.092 0 C-N-CA 127.579 2.351 . . . . 3.38 104.993 176.662 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' SXO . . . . . 0.69 H37A ' HG2' ' A' ' 64' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.558 0 CA-C-O 120.548 0.213 . . . . 2.71 110.922 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -158.54 152.4 23.58 Favored 'General case' 0 CA--C 1.516 -0.365 0 N-CA-C 108.821 -0.807 . . . . 1.46 108.821 178.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.693 ' O ' HG12 ' A' ' 7' ' ' ILE . 1.2 m -109.65 -162.45 0.81 Allowed 'General case' 0 C--N 1.313 -1.005 0 CA-C-O 118.666 -0.683 . . . . 2.11 110.082 179.741 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.402 ' H ' HG21 ' A' ' 3' ' ' THR . 8.7 tt0 -53.85 -56.73 14.96 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 115.01 1.485 . . . . 2.34 115.01 -165.65 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -67.22 -35.98 80.71 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 120.893 0.378 . . . . 3.05 110.777 -176.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -68.55 -32.18 71.93 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 115.576 -0.738 . . . . 2.53 111.196 177.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.693 HG12 ' O ' ' A' ' 3' ' ' THR . 43.0 mm -67.88 -51.68 47.47 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.544 0 N-CA-C 107.884 -1.154 . . . . 1.16 107.884 177.743 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.513 HG11 ' HD3' ' A' ' 27' ' ' LYS . 56.5 t -49.06 -47.48 17.31 Favored 'Isoleucine or valine' 0 C--O 1.242 0.688 0 C-N-CA 123.994 0.918 . . . . 1.22 111.092 177.58 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.41 ' O ' ' HG3' ' A' ' 13' ' ' GLU . . . -61.84 -44.41 96.9 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.834 -0.621 . . . . 1.24 111.174 179.476 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -69.08 -37.29 82.29 Favored Glycine 0 N--CA 1.445 -0.743 0 CA-C-N 115.9 -0.591 . . . . 0.38 111.93 -177.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 7' ' ' ILE . 91.3 mt -57.28 -46.61 82.94 Favored 'General case' 0 CA--C 1.506 -0.725 0 CA-C-O 121.047 0.451 . . . . 1.12 110.032 178.286 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.55 ' HB1' HG21 ' A' ' 23' ' ' VAL . . . -70.63 -24.85 62.8 Favored 'General case' 0 N--CA 1.429 -1.488 0 CA-C-N 115.619 -0.719 . . . . 1.1 111.816 -179.086 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.41 ' HG3' ' O ' ' A' ' 9' ' ' ALA . 47.3 mt-10 -61.47 -47.28 86.38 Favored 'General case' 0 CA--C 1.509 -0.63 0 C-N-CA 121.04 -0.264 . . . . 2.48 110.444 176.042 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.516 HG21 ' HA ' ' A' ' 46' ' ' VAL . 3.1 mp -73.26 -44.01 56.08 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.882 0 C-N-CA 119.734 -0.786 . . . . 1.14 109.584 177.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.481 HG11 HG13 ' A' ' 21' ' ' ILE . 48.3 t -63.58 -23.72 34.05 Favored 'Isoleucine or valine' 0 CA--C 1.571 1.763 0 C-N-CA 120.107 -0.637 . . . . 1.11 112.268 -179.323 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -70.14 -39.46 75.39 Favored 'General case' 0 N--CA 1.477 0.899 0 O-C-N 121.466 -0.771 . . . . 0.95 110.977 176.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -79.19 -28.73 42.65 Favored 'General case' 0 C--N 1.318 -0.769 0 C-N-CA 119.735 -0.786 . . . . 2.11 111.176 179.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 46.2 mm -81.95 -53.78 11.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 116.497 -0.32 . . . . 1.33 111.687 179.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -107.38 -18.23 13.92 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 113.378 0.881 . . . . 1.22 113.378 -173.132 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.54 24.95 40.8 Favored Glycine 0 C--N 1.318 -0.468 0 C-N-CA 120.669 -0.777 . . . . 0.93 113.568 177.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.481 HG13 HG11 ' A' ' 15' ' ' VAL . 2.5 pp -80.3 155.1 74.54 Favored Pre-proline 0 C--N 1.311 -1.068 0 N-CA-C 112.017 0.377 . . . . 1.31 112.017 -179.809 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_exo -65.37 148.3 88.09 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 122.075 1.85 . . . . 0.86 109.274 172.123 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.55 HG21 ' HB1' ' A' ' 12' ' ' ALA . 13.1 p -71.22 -16.8 19.55 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.018 0 CA-C-O 121.701 0.762 . . . . 2.05 111.228 -176.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -87.78 -6.58 58.09 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.851 -0.613 . . . . 2.03 110.463 176.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.482 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 35.6 t70 -79.36 -43.39 23.57 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-O 120.742 0.306 . . . . 1.07 111.335 -174.823 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.537 ' HB ' ' HB2' ' A' ' 12' ' ' ALA . 70.3 t -82.1 92.67 2.41 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.061 0 N-CA-C 109.172 -0.677 . . . . 1.46 109.172 179.124 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.513 ' HD3' HG11 ' A' ' 8' ' ' VAL . 53.1 mmtt -125.6 176.95 6.51 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 115.432 -0.804 . . . . 3.36 109.928 179.048 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.529 HD11 ' HA2' ' A' ' 70' ' ' GLY . 3.1 mm? -54.89 -35.51 64.18 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.931 0.892 . . . . 1.64 112.777 -172.46 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -77.59 -3.77 42.48 Favored 'General case' 0 C--N 1.316 -0.883 0 C-N-CA 123.588 0.755 . . . . 2.47 112.601 -175.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.482 ' HG3' ' O ' ' A' ' 25' ' ' ASP . 35.8 mmtp -103.03 142.24 34.45 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 122.207 -0.308 . . . . 1.67 111.299 -176.562 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.632 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 26.8 t -108.73 149.73 28.6 Favored 'General case' 0 C--O 1.255 1.359 0 N-CA-C 107.579 -1.267 . . . . 1.72 107.579 168.737 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.617 ' HA ' HD11 ' A' ' 36' ' ' LEU . 65.8 m-85 -61.71 -49.82 74.93 Favored 'General case' 0 C--O 1.215 -0.713 0 N-CA-C 115.089 1.515 . . . . 1.03 115.089 -167.71 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.591 HG23 ' HB3' ' A' ' 40' ' ' SER . 13.5 t -119.06 46.07 1.96 Allowed 'General case' 0 C--N 1.295 -1.796 0 C-N-CA 117.912 -1.515 . . . . 1.85 110.308 177.154 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.522 ' HB2' ' HB3' ' A' ' 31' ' ' SER . 22.4 m-20 -136.05 -47.84 0.66 Allowed 'General case' 0 CA--C 1.496 -1.119 0 CA-C-N 114.035 -1.439 . . . . 2.31 108.498 175.663 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -107.86 -32.22 7.69 Favored 'General case' 0 CA--C 1.481 -1.685 0 CA-C-N 115.294 -0.866 . . . . 1.67 110.322 -178.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.617 HD11 ' HA ' ' A' ' 32' ' ' PHE . 77.2 mt -89.69 156.26 18.67 Favored 'General case' 0 N--CA 1.426 -1.633 0 N-CA-C 107.875 -1.157 . . . . 1.23 107.875 178.344 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -92.88 18.84 8.4 Favored 'General case' 0 C--N 1.302 -1.498 0 CA-C-O 122.828 1.299 . . . . 2.15 109.437 -179.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.471 HG21 ' HB3' ' A' ' 36' ' ' LEU . 21.7 t -89.53 100.63 11.12 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.015 0 CA-C-N 113.731 -1.577 . . . . 2.86 107.856 -178.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.443 ' O ' ' HB2' ' A' ' 42' ' ' SER . 27.3 t70 -56.64 149.2 18.16 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 109.74 -0.467 . . . . 2.96 109.74 177.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.591 ' HB3' HG23 ' A' ' 33' ' ' THR . 35.8 p -60.74 -40.23 91.65 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 112.654 0.613 . . . . 1.56 112.654 -175.182 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.1 mp -65.84 -23.03 66.59 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.505 0.669 . . . . 1.81 110.415 -179.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.443 ' HB2' ' O ' ' A' ' 39' ' ' ASP . 48.9 m -81.99 -30.58 31.54 Favored 'General case' 0 N--CA 1.435 -1.178 0 CA-C-N 115.349 -0.841 . . . . 1.5 110.684 178.163 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.502 ' HE2' ' H3 ' ' A' ' 101' ' ' SXO . 9.0 tmm? -70.08 -23.0 62.99 Favored 'General case' 0 C--O 1.219 -0.509 0 N-CA-C 108.95 -0.759 . . . . 1.2 108.95 -178.566 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.595 HG22 H37A ' A' ' 101' ' ' SXO . 43.2 t -57.12 -31.89 38.6 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.165 0 CA-C-N 115.526 -0.761 . . . . 1.3 110.533 178.38 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -74.67 -29.1 61.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.72 0.772 . . . . 2.06 109.733 178.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.516 ' HA ' HG21 ' A' ' 14' ' ' ILE . 93.8 t -75.21 -58.91 3.82 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.068 0 CA-C-N 114.787 -1.097 . . . . 2.03 110.394 -178.243 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.41 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 12.1 p -51.7 -42.07 30.34 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.924 0 N-CA-C 113.327 0.862 . . . . 1.22 113.327 -175.589 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 11.5 p -69.94 -23.11 25.15 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.994 0 CA-C-O 121.576 0.703 . . . . 1.35 111.018 -178.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -86.21 -29.16 23.39 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.595 0.712 . . . . 1.09 109.233 177.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.64 -27.73 63.28 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.684 -0.689 . . . . 1.07 111.491 -179.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.446 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 91.7 mt-10 -53.95 -51.22 64.5 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-O 121.698 0.761 . . . . 0.8 110.247 177.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -79.74 -31.7 41.05 Favored 'General case' 0 C--N 1.307 -1.264 0 CA-C-N 115.391 -0.822 . . . . 0.96 111.453 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -62.86 -45.87 90.55 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 122.765 0.426 . . . . 4.41 110.98 -176.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.435 ' HB2' HG11 ' A' ' 56' ' ' VAL . 59.1 m-85 -104.05 6.52 36.05 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 120.541 -0.464 . . . . 0.49 112.137 -176.269 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 31.8 t70 63.34 38.17 10.4 Favored 'General case' 0 N--CA 1.489 1.487 0 CA-C-O 122.886 1.327 . . . . 1.95 110.454 177.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.973 HG12 HG22 ' A' ' 76' ' ' ILE . 6.8 p -131.97 104.66 8.48 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.277 0 CA-C-N 115.027 -0.988 . . . . 1.96 110.929 -176.273 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -72.77 93.95 1.73 Allowed 'General case' 0 C--N 1.292 -1.912 0 CA-C-N 115.124 -0.944 . . . . 3.77 108.946 176.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.576 HD13 HG12 ' A' ' 76' ' ' ILE . 73.7 mt -88.42 112.7 51.58 Favored Pre-proline 0 C--N 1.305 -1.337 0 CA-C-N 115.474 -0.785 . . . . 1.24 109.37 -179.118 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.439 ' O ' HG21 ' A' ' 63' ' ' VAL . 34.6 Cg_exo -63.8 146.78 92.27 Favored 'Trans proline' 0 N--CA 1.456 -0.711 0 C-N-CA 122.7 2.267 . . . . 0.79 110.798 179.377 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -53.88 -33.11 55.5 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.418 0.687 . . . . 2.3 111.149 -179.518 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -62.99 -44.55 95.71 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.672 -0.695 . . . . 2.38 110.767 177.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.515 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 6.7 m-20 -71.67 -29.8 65.01 Favored 'General case' 0 CA--C 1.499 -0.992 0 CA-C-N 116.159 -0.473 . . . . 1.52 111.988 -178.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.439 HG21 ' O ' ' A' ' 59' ' ' PRO . 59.9 t -60.5 -41.18 86.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 109.078 -0.712 . . . . 1.42 109.078 176.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -76.41 -13.41 60.12 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.214 -0.903 . . . . 1.93 111.136 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -89.88 -24.17 21.44 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-O 120.927 0.394 . . . . 2.65 110.888 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.515 ' HG ' ' O ' ' A' ' 62' ' ' ASP . 91.2 mt -77.55 169.53 18.14 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.361 -0.381 . . . . 1.24 110.286 -178.131 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.406 ' HG3' ' H ' ' A' ' 68' ' ' THR . 38.4 pttt -148.86 -75.09 0.17 Allowed 'General case' 0 C--N 1.311 -1.081 0 N-CA-C 112.368 0.507 . . . . 3.26 112.368 -177.809 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.632 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 69.5 p -85.96 175.32 8.67 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.906 -0.496 . . . . 1.17 110.213 -179.304 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 88.8 t -70.51 -37.09 68.85 Favored 'Isoleucine or valine' 0 N--CA 1.408 -2.538 0 N-CA-C 107.225 -1.398 . . . . 1.35 107.225 173.178 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.529 ' HA2' HD11 ' A' ' 28' ' ' LEU . . . -63.13 -37.38 94.82 Favored Glycine 0 N--CA 1.45 -0.409 0 CA-C-N 115.553 -0.749 . . . . 0.46 112.634 177.744 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -77.16 -36.64 55.04 Favored 'General case' 0 C--N 1.315 -0.921 0 O-C-N 122.332 -0.51 . . . . 1.62 110.411 179.058 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.439 ' O ' HG13 ' A' ' 76' ' ' ILE . . . -66.03 -53.78 34.22 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.544 -0.753 . . . . 1.21 110.791 -177.624 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.417 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 14.6 p -50.06 -53.01 29.92 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 123.869 0.868 . . . . 1.16 111.525 -178.821 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 21.5 tptm -51.14 -40.19 57.99 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.316 1.446 . . . . 4.01 111.416 -178.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 61.5 t80 -76.55 -48.21 20.07 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 120.755 0.312 . . . . 1.09 110.639 177.073 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.973 HG22 HG12 ' A' ' 56' ' ' VAL . 94.5 mt -50.4 -57.53 2.41 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 C-N-CA 123.982 0.913 . . . . 1.26 111.341 -178.782 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.444 ' HA ' ' NE2' ' A' ' 80' ' ' GLN . 4.5 pp -64.76 -21.84 66.85 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 112.905 0.705 . . . . 2.3 112.905 -178.021 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -88.14 -29.35 20.63 Favored 'General case' 0 C--N 1.3 -1.583 0 C-N-CA 120.523 -0.471 . . . . 1.32 111.303 -178.164 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 52.0 t60 -93.47 -7.82 43.34 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-O 120.959 0.409 . . . . 3.57 111.448 -177.028 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.669 ' HB3' ' HB ' ' A' ' 56' ' ' VAL . 9.8 pt20 -91.56 -173.9 3.71 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 109.415 -0.587 . . . . 2.23 109.415 176.4 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.43 -1.467 0 N-CA-C 108.547 -0.909 . . . . 3.38 108.547 175.68 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' SXO . . . . . 0.658 ' H8 ' HD12 ' A' ' 76' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.711 0 N-CA-C 108.241 -1.022 . . . . 2.71 108.241 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -82.88 120.19 25.35 Favored 'General case' 0 C--N 1.304 -1.376 0 CA-C-O 120.833 0.349 . . . . 1.46 110.339 -179.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.493 ' O ' HG12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -92.6 -164.67 1.21 Allowed 'General case' 0 C--N 1.307 -1.246 0 CA-C-O 119.14 -0.457 . . . . 2.11 110.285 -178.2 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.564 ' HB2' HD11 ' A' ' 28' ' ' LEU . 0.3 OUTLIER -60.64 -40.22 91.16 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 114.431 1.271 . . . . 2.34 114.431 -170.375 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -68.06 -45.22 74.45 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.408 0.623 . . . . 3.05 109.457 179.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -64.66 -37.65 88.3 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 114.581 -1.19 . . . . 2.53 110.372 -179.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.493 HG12 ' O ' ' A' ' 3' ' ' THR . 39.2 mm -71.24 -52.84 23.96 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.378 0 CA-C-N 116.124 -0.489 . . . . 1.16 110.262 179.213 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.476 ' HA ' HD13 ' A' ' 11' ' ' LEU . 93.3 t -59.94 -36.98 70.2 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 N-CA-C 112.071 0.397 . . . . 1.22 112.071 -178.558 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.69 -34.02 76.27 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 121.127 0.489 . . . . 1.24 110.54 176.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.516 ' O ' ' HB3' ' A' ' 13' ' ' GLU . . . -77.53 -36.91 32.35 Favored Glycine 0 N--CA 1.439 -1.112 0 N-CA-C 110.684 -0.966 . . . . 0.38 110.684 176.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.476 HD13 ' HA ' ' A' ' 8' ' ' VAL . 95.1 mt -58.58 -51.72 68.69 Favored 'General case' 0 CA--C 1.51 -0.565 0 CA-C-O 121.294 0.569 . . . . 1.12 109.661 177.164 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.71 -18.67 64.99 Favored 'General case' 0 C--O 1.202 -1.442 0 CA-C-N 115.25 -0.886 . . . . 1.1 112.095 -178.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.516 ' HB3' ' O ' ' A' ' 10' ' ' GLY . 7.6 tp10 -66.27 -52.61 45.79 Favored 'General case' 0 N--CA 1.425 -1.724 0 N-CA-C 109.05 -0.722 . . . . 2.48 109.05 177.354 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.518 HG22 ' HA ' ' A' ' 46' ' ' VAL . 3.8 mp -72.41 -35.66 52.45 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.941 0 C-N-CA 119.614 -0.835 . . . . 1.14 109.607 178.133 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 56.2 t -67.07 -23.3 30.48 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.18 0 CA-C-O 121.274 0.559 . . . . 1.11 111.582 178.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.458 ' O ' ' HA2' ' A' ' 20' ' ' GLY . 28.1 t-20 -72.0 -29.86 64.64 Favored 'General case' 0 C--N 1.313 -1.018 0 O-C-N 121.473 -0.767 . . . . 0.95 109.946 175.497 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -80.86 -40.03 25.46 Favored 'General case' 0 C--N 1.302 -1.462 0 CA-C-N 115.619 -0.719 . . . . 2.11 109.738 178.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.45 HG13 HG22 ' A' ' 46' ' ' VAL . 47.2 mm -78.82 -53.46 13.62 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.267 0 CA-C-N 115.936 -0.574 . . . . 1.33 111.514 -177.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -100.04 -49.52 4.28 Favored 'General case' 0 C--N 1.302 -1.48 0 CA-C-O 120.802 0.334 . . . . 1.22 110.786 -176.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.458 ' HA2' ' O ' ' A' ' 16' ' ' ASN . . . 116.35 3.58 18.85 Favored Glycine 0 C--N 1.315 -0.608 0 C-N-CA 119.653 -1.261 . . . . 0.93 114.192 178.252 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.604 HG22 HD23 ' A' ' 36' ' ' LEU . 2.2 pp -64.63 146.95 98.15 Favored Pre-proline 0 C--N 1.317 -0.829 0 N-CA-C 112.513 0.56 . . . . 1.31 112.513 178.566 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 21' ' ' ILE . 13.4 Cg_exo -70.22 135.11 28.55 Favored 'Trans proline' 0 N--CA 1.445 -1.325 0 C-N-CA 122.299 1.999 . . . . 0.86 109.811 177.293 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.7 m -63.88 -28.88 45.88 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.951 0 CA-C-O 121.351 0.596 . . . . 2.05 110.599 -178.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -74.48 -14.84 60.88 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.329 -0.851 . . . . 2.03 110.788 -179.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -92.83 -19.12 22.04 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-O 121.271 0.558 . . . . 1.07 110.84 -175.14 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.7 ' HA ' ' HG3' ' A' ' 30' ' ' LYS . 39.8 t -94.03 94.96 4.85 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.583 0 CA-C-N 116.016 -0.538 . . . . 1.46 110.922 -176.139 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -93.68 -169.62 2.15 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 107.156 -1.424 . . . . 3.36 107.156 172.012 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.564 HD11 ' HB2' ' A' ' 4' ' ' GLN . 4.4 mm? -73.22 -11.91 60.68 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 112.353 0.501 . . . . 1.64 112.353 -178.524 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -90.3 18.46 6.04 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 121.535 0.683 . . . . 2.47 110.818 -177.135 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.7 ' HG3' ' HA ' ' A' ' 26' ' ' VAL . 72.3 mmtt -104.38 166.78 10.17 Favored 'General case' 0 C--N 1.303 -1.445 0 CA-C-O 121.574 0.702 . . . . 1.67 110.372 179.255 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.447 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 30.8 t -140.28 161.92 36.52 Favored 'General case' 0 C--N 1.286 -2.191 0 N-CA-C 106.162 -1.792 . . . . 1.72 106.162 176.226 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.493 ' CE2' ' H5A' ' A' ' 101' ' ' SXO . 97.6 m-85 -77.67 -48.43 16.79 Favored 'General case' 0 CA--C 1.48 -1.716 0 C-N-CA 120.708 -0.397 . . . . 1.03 110.033 -171.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.613 HG22 ' OG ' ' A' ' 40' ' ' SER . 76.4 p -119.43 -2.24 10.6 Favored 'General case' 0 N--CA 1.412 -2.361 0 C-N-CA 118.033 -1.467 . . . . 1.85 113.64 -179.295 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -91.93 -25.49 18.87 Favored 'General case' 0 CA--C 1.484 -1.586 0 C-N-CA 120.007 -0.677 . . . . 2.31 110.059 176.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -117.88 -52.08 2.44 Favored 'General case' 0 C--N 1.309 -1.191 0 C-N-CA 120.082 -0.647 . . . . 1.67 109.557 178.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.604 HD23 HG22 ' A' ' 21' ' ' ILE . 82.9 mt -75.07 168.06 20.71 Favored 'General case' 0 C--O 1.241 0.647 0 CA-C-O 121.153 0.501 . . . . 1.23 110.813 -176.778 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -92.22 10.9 27.59 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 115.9 -0.591 . . . . 2.15 110.687 -173.145 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.538 HG12 ' HB2' ' A' ' 43' ' ' MET . 47.0 t -52.41 130.92 13.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 C-N-CA 123.706 0.802 . . . . 2.86 111.016 -177.106 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -70.35 16.73 0.07 Allowed 'General case' 0 CA--C 1.568 1.65 0 C-N-CA 125.621 1.568 . . . . 2.96 112.474 -176.399 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.613 ' OG ' HG22 ' A' ' 33' ' ' THR . 3.5 m 63.48 -74.13 0.04 OUTLIER 'General case' 0 CA--C 1.513 -0.475 0 N-CA-C 115.161 1.541 . . . . 1.56 115.161 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.9 mp -61.88 -25.8 67.76 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 122.212 1.006 . . . . 1.81 109.758 -176.375 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 41.3 m -74.95 -20.12 59.82 Favored 'General case' 0 C--N 1.301 -1.506 0 CA-C-N 114.34 -1.3 . . . . 1.5 112.268 179.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.538 ' HB2' HG12 ' A' ' 38' ' ' VAL . 8.0 tmm? -74.54 -21.6 59.44 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 108.454 -0.943 . . . . 1.2 108.454 -179.187 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 37.2 t -61.27 -27.19 41.32 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.488 0 CA-C-N 115.621 -0.718 . . . . 1.3 109.778 178.138 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -79.93 -18.4 50.6 Favored 'General case' 0 C--N 1.34 0.18 0 CA-C-N 115.937 -0.574 . . . . 2.06 111.187 175.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.518 ' HA ' HG22 ' A' ' 14' ' ' ILE . 94.8 t -77.58 -58.18 4.63 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.003 0 N-CA-C 108.093 -1.076 . . . . 2.03 108.093 176.286 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 11.9 p -57.46 -34.45 46.71 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.235 0 N-CA-C 113.486 0.921 . . . . 1.22 113.486 -176.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 14.8 p -66.58 -31.12 52.12 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.827 0 CA-C-O 121.507 0.67 . . . . 1.35 110.165 177.355 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.528 ' O ' ' HB2' ' A' ' 53' ' ' ARG . . . -82.7 -25.01 33.38 Favored 'General case' 0 N--CA 1.443 -0.806 0 N-CA-C 109.223 -0.658 . . . . 1.09 109.223 178.253 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.43 -38.13 80.9 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-N 115.751 -0.658 . . . . 1.07 111.43 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.452 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 41.0 mt-10 -53.32 -54.02 42.48 Favored 'General case' 0 C--O 1.214 -0.814 0 CA-C-O 121.275 0.56 . . . . 0.8 110.742 178.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -72.62 -31.92 65.53 Favored 'General case' 0 C--N 1.306 -1.316 0 CA-C-N 115.567 -0.742 . . . . 0.96 111.749 -179.009 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.528 ' HB2' ' O ' ' A' ' 49' ' ' ALA . 4.0 tpt180 -66.59 -40.51 88.94 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.166 0.507 . . . . 4.41 110.36 -176.602 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.402 ' HB2' HG13 ' A' ' 56' ' ' VAL . 36.4 m-85 -104.32 1.25 30.12 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 116.191 -0.459 . . . . 0.49 110.981 -177.578 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.423 ' HB3' ' CB ' ' A' ' 81' ' ' ALA . 29.8 t70 60.89 34.11 19.68 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.963 1.305 . . . . 1.95 110.73 177.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.548 HG11 HG22 ' A' ' 76' ' ' ILE . 5.6 p -138.1 109.03 5.36 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.129 0 CA-C-N 114.971 -1.013 . . . . 1.96 109.273 -178.41 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -74.03 143.26 45.6 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 115.326 -0.852 . . . . 3.77 112.732 -177.115 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.472 HG12 ' HE2' ' A' ' 75' ' ' TYR . 28.9 mt -132.54 100.35 15.09 Favored Pre-proline 0 C--N 1.306 -1.302 0 CA-C-N 114.593 -1.185 . . . . 1.24 108.492 -174.733 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.475 ' O ' HG23 ' A' ' 63' ' ' VAL . 52.3 Cg_exo -57.03 137.41 81.83 Favored 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 123.123 2.549 . . . . 0.79 111.676 178.395 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -47.99 -41.62 25.83 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 125.461 1.504 . . . . 2.3 112.673 -175.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -59.48 -43.95 93.15 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.866 -0.606 . . . . 2.38 111.777 178.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.424 ' HA ' ' ND2' ' A' ' 65' ' ' ASN . 10.8 t70 -86.2 -19.65 29.71 Favored 'General case' 0 C--N 1.314 -0.96 0 C-N-CA 120.657 -0.417 . . . . 1.52 111.562 -174.098 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 59' ' ' PRO . 83.4 t -53.87 -56.83 7.32 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.107 0 N-CA-C 108.887 -0.783 . . . . 1.42 108.887 174.782 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt -72.16 -2.07 17.32 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.162 -0.927 . . . . 1.93 112.817 -173.441 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.424 ' ND2' ' HA ' ' A' ' 62' ' ' ASP . 92.7 m-20 -83.26 -14.44 53.15 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.793 -0.639 . . . . 2.65 109.534 175.237 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.578 ' HB2' ' H4A' ' A' ' 101' ' ' SXO . 77.2 mt -87.75 177.07 7.12 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 109.162 -0.681 . . . . 1.24 109.162 179.818 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.416 ' HG3' ' H ' ' A' ' 68' ' ' THR . 14.9 ptpt -149.33 -70.61 0.2 Allowed 'General case' 0 C--N 1.312 -1.032 0 N-CA-C 113.691 0.997 . . . . 3.26 113.691 -177.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.437 HG22 ' HB2' ' A' ' 31' ' ' SER . 73.8 p -88.77 -178.74 5.84 Favored 'General case' 0 N--CA 1.438 -1.066 0 O-C-N 121.657 -0.652 . . . . 1.17 109.431 -178.517 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 28.6 m -83.59 -13.56 11.8 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 C-N-CA 119.455 -0.898 . . . . 1.35 109.002 175.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.524 ' HA2' HD13 ' A' ' 28' ' ' LEU . . . -83.42 -29.8 32.12 Favored Glycine 0 N--CA 1.439 -1.147 0 N-CA-C 110.029 -1.229 . . . . 0.46 110.029 175.663 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.467 ' OD2' ' HA ' ' A' ' 66' ' ' LEU . 35.7 t70 -83.07 -34.78 26.11 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 120.981 0.419 . . . . 1.62 110.292 176.653 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.537 ' HA ' HD12 ' A' ' 66' ' ' LEU . . . -64.82 -32.59 74.36 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.292 0.568 . . . . 1.21 111.125 -179.645 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.9 p -72.73 -21.58 61.01 Favored 'General case' 0 N--CA 1.413 -2.284 0 CA-C-N 115.766 -0.652 . . . . 1.16 112.61 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 55.5 tptt -61.21 -50.17 74.18 Favored 'General case' 0 C--O 1.219 -0.501 0 C-N-CA 123.032 0.533 . . . . 4.01 110.444 -179.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.472 ' HE2' HG12 ' A' ' 58' ' ' ILE . 85.9 t80 -62.19 -41.12 98.05 Favored 'General case' 0 C--O 1.244 0.799 0 CA-C-O 121.848 0.832 . . . . 1.09 110.869 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.548 HG22 HG11 ' A' ' 56' ' ' VAL . 93.8 mt -66.68 -65.37 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.455 0 CA-C-N 114.718 -1.128 . . . . 1.26 110.384 -178.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.48 ' HA ' ' CG ' ' A' ' 80' ' ' GLN . 10.8 mp -54.55 -21.98 11.81 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 125.191 1.396 . . . . 2.3 112.986 178.827 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -65.05 -46.67 80.29 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-O 120.907 0.384 . . . . 1.32 110.644 174.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -98.76 -60.56 1.52 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.618 0.247 . . . . 3.57 111.129 -178.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.48 ' CG ' ' HA ' ' A' ' 77' ' ' LEU . 38.6 mt-30 62.76 173.07 0.15 Allowed 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 126.038 1.735 . . . . 2.23 113.109 -179.129 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.423 ' CB ' ' HB3' ' A' ' 55' ' ' ASP . . . . . . . . 0 C--N 1.3 -1.566 0 CA-C-N 115.48 -0.782 . . . . 3.38 109.142 176.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' SXO . . . . . 0.578 ' H4A' ' HB2' ' A' ' 66' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.483 ' HA ' ' OE1' ' A' ' 80' ' ' GLN . . . . . . . . 0 C--O 1.241 0.627 0 CA-C-O 120.981 0.419 . . . . 2.71 111.768 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -90.73 147.88 22.95 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 107.576 -1.268 . . . . 1.46 107.576 175.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.594 ' O ' HG12 ' A' ' 7' ' ' ILE . 0.3 OUTLIER -93.18 175.72 6.67 Favored 'General case' 0 C--N 1.3 -1.558 0 C-N-CA 118.956 -1.098 . . . . 2.11 111.862 -174.873 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.418 ' H ' HG23 ' A' ' 3' ' ' THR . 3.9 pt20 -54.22 -41.02 68.2 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 114.206 1.188 . . . . 2.34 114.206 -170.065 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -65.69 -45.21 83.66 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.426 -0.583 . . . . 3.05 109.426 178.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 -59.97 -41.02 91.07 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 115.54 -0.755 . . . . 2.53 109.859 176.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.594 HG12 ' O ' ' A' ' 3' ' ' THR . 48.7 mm -62.18 -58.74 6.21 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.236 0 CA-C-N 115.428 -0.805 . . . . 1.16 109.625 179.612 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.528 ' HA ' HD11 ' A' ' 11' ' ' LEU . 94.2 t -54.42 -49.96 61.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 123.447 0.699 . . . . 1.22 111.68 -178.247 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.43 -36.74 74.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.435 -0.348 . . . . 1.24 110.934 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.433 ' C ' ' HZ ' ' A' ' 54' ' ' PHE . . . -70.68 -39.82 66.46 Favored Glycine 0 N--CA 1.445 -0.758 0 N-CA-C 110.74 -0.944 . . . . 0.38 110.74 178.66 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.528 HD11 ' HA ' ' A' ' 8' ' ' VAL . 96.9 mt -55.56 -46.24 77.2 Favored 'General case' 0 C--O 1.24 0.556 0 C-N-CA 123.342 0.657 . . . . 1.12 110.059 178.748 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.42 -23.9 67.06 Favored 'General case' 0 N--CA 1.44 -0.936 0 CA-C-N 115.275 -0.875 . . . . 1.1 112.259 -178.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -66.31 -43.77 85.27 Favored 'General case' 0 CA--C 1.508 -0.642 0 N-CA-C 110.454 -0.202 . . . . 2.48 110.454 177.36 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.861 ' HB ' HG21 ' A' ' 46' ' ' VAL . 4.6 mp -78.46 -36.85 20.77 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.876 0 C-N-CA 119.016 -1.074 . . . . 1.14 109.089 178.175 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.566 HG21 HG23 ' A' ' 46' ' ' VAL . 97.8 t -63.73 -23.18 32.7 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.316 0 CA-C-O 121.589 0.709 . . . . 1.11 111.618 177.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -66.36 -28.48 68.68 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.301 0.572 . . . . 0.95 110.159 174.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -83.43 -43.82 15.44 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 109.054 -0.721 . . . . 2.11 109.054 174.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.591 HG13 ' HB ' ' A' ' 46' ' ' VAL . 51.0 mm -58.04 -52.64 55.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.291 -0.868 . . . . 1.33 111.01 -178.259 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -124.23 -42.67 2.11 Favored 'General case' 0 C--N 1.313 -1.008 0 N-CA-C 112.196 0.443 . . . . 1.22 112.196 -177.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 106.23 52.82 0.76 Allowed Glycine 0 C--N 1.316 -0.567 0 C-N-CA 119.506 -1.33 . . . . 0.93 112.621 -179.365 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.454 HG13 HG12 ' A' ' 15' ' ' VAL . 1.8 pp -98.87 161.49 24.74 Favored Pre-proline 0 C--N 1.307 -1.254 0 O-C-N 122.72 -0.283 . . . . 1.31 110.926 177.682 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.415 ' HB2' ' HB2' ' A' ' 25' ' ' ASP . 16.3 Cg_exo -73.38 131.37 16.24 Favored 'Trans proline' 0 N--CA 1.451 -0.987 0 C-N-CA 122.547 2.164 . . . . 0.86 109.787 175.457 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 14.0 p -61.24 -33.03 54.63 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.143 0 N-CA-C 112.305 0.483 . . . . 2.05 112.305 -176.162 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -89.12 -2.9 58.74 Favored 'General case' 0 C--N 1.32 -0.685 0 O-C-N 122.08 -0.388 . . . . 2.03 111.532 -179.066 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.415 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 24.7 t70 -85.1 -28.56 25.51 Favored 'General case' 0 C--O 1.24 0.598 0 CA-C-O 121.903 0.859 . . . . 1.07 109.552 -177.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 32.9 t -82.06 95.35 3.07 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.581 0 CA-C-N 114.385 -1.28 . . . . 1.46 109.472 -179.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.416 ' HA ' ' HD3' ' A' ' 27' ' ' LYS . 73.4 mmtt -106.95 178.34 4.59 Favored 'General case' 0 C--N 1.309 -1.188 0 N-CA-C 109.134 -0.691 . . . . 3.36 109.134 173.226 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.431 HD12 HG23 ' A' ' 8' ' ' VAL . 3.8 mm? -51.29 -36.91 44.68 Favored 'General case' 0 N--CA 1.484 1.27 0 N-CA-C 114.659 1.355 . . . . 1.64 114.659 -172.83 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -85.0 10.96 10.46 Favored 'General case' 0 C--N 1.304 -1.376 0 N-CA-C 112.939 0.718 . . . . 2.47 112.939 -176.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.483 ' HD2' ' HB3' ' A' ' 35' ' ' ASP . 74.9 mmtt -98.17 140.97 31.69 Favored 'General case' 0 C--N 1.309 -1.182 0 O-C-N 122.268 -0.27 . . . . 1.67 110.655 179.138 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.656 ' OG ' ' HB2' ' A' ' 34' ' ' ASP . 8.7 p -113.89 163.77 14.65 Favored 'General case' 0 C--N 1.295 -1.793 0 N-CA-C 107.808 -1.182 . . . . 1.72 107.808 175.232 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.446 ' O ' ' HB2' ' A' ' 36' ' ' LEU . 91.1 m-85 -74.02 -39.64 63.44 Favored 'General case' 0 N--CA 1.445 -0.689 0 N-CA-C 113.396 0.888 . . . . 1.03 113.396 -170.392 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.572 HG21 ' HB3' ' A' ' 40' ' ' SER . 8.9 t -128.42 30.66 5.14 Favored 'General case' 0 C--N 1.298 -1.656 0 CA-C-O 122.885 1.326 . . . . 1.85 111.594 -175.771 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.656 ' HB2' ' OG ' ' A' ' 31' ' ' SER . 2.8 m-20 -126.94 -61.72 1.16 Allowed 'General case' 0 C--N 1.298 -1.636 0 CA-C-N 114.788 -1.097 . . . . 2.31 108.139 174.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.483 ' HB3' ' HD2' ' A' ' 30' ' ' LYS . 2.8 m-20 -80.9 -39.75 25.79 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 116.316 -0.402 . . . . 1.67 110.793 174.296 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.446 ' HB2' ' O ' ' A' ' 32' ' ' PHE . 77.4 mt -90.93 177.97 6.15 Favored 'General case' 0 N--CA 1.43 -1.464 0 C-N-CA 120.25 -0.58 . . . . 1.23 109.504 -179.059 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -124.3 72.48 1.19 Allowed 'General case' 0 C--N 1.294 -1.842 0 N-CA-C 106.416 -1.698 . . . . 2.15 106.416 -178.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 48.6 t -131.46 113.72 23.96 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.702 0 CA-C-N 113.411 -1.722 . . . . 2.86 107.865 -173.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -49.41 125.09 10.44 Favored 'General case' 0 CA--C 1.51 -0.589 0 O-C-N 124.236 0.96 . . . . 2.96 109.533 176.583 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.572 ' HB3' HG21 ' A' ' 33' ' ' THR . 78.6 p -72.22 -35.58 68.93 Favored 'General case' 0 C--N 1.279 -2.477 0 CA-C-N 115.008 -0.996 . . . . 1.56 112.064 -172.737 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.7 mp -64.83 -30.06 71.05 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.036 -1.098 . . . . 1.81 108.036 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 27.6 m -80.41 -15.3 57.15 Favored 'General case' 0 N--CA 1.434 -1.25 0 CA-C-N 114.106 -1.407 . . . . 1.5 111.692 179.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.597 ' HE2' ' O40' ' A' ' 101' ' ' SXO . 30.4 ttp -67.73 -22.16 65.26 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-O 121.291 0.567 . . . . 1.2 110.341 -177.572 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.502 ' HA ' HG12 ' A' ' 47' ' ' VAL . 59.2 t -54.1 -40.2 45.25 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.468 0 CA-C-N 115.597 -0.729 . . . . 1.3 109.779 177.595 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -66.5 -29.89 70.1 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.93 -0.577 . . . . 2.06 111.97 -178.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.861 HG21 ' HB ' ' A' ' 14' ' ' ILE . 7.4 p -86.7 -37.05 10.97 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.838 0 C-N-CA 120.21 -0.596 . . . . 2.03 111.692 178.65 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.502 HG12 ' HA ' ' A' ' 44' ' ' VAL . 13.8 p -64.8 -39.9 87.22 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.705 0 C-N-CA 120.16 -0.616 . . . . 1.22 111.626 -178.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 12.4 p -69.84 -22.89 25.14 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.936 0 CA-C-O 121.676 0.751 . . . . 1.35 110.599 179.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -86.22 -29.16 23.38 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 121.712 0.768 . . . . 1.09 109.752 178.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.61 -32.92 73.14 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 115.427 -0.806 . . . . 1.07 111.287 -178.3 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -53.6 -59.34 4.72 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.578 0.704 . . . . 0.8 109.766 178.22 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -69.8 -36.0 75.32 Favored 'General case' 0 C--N 1.296 -1.732 0 CA-C-N 115.33 -0.85 . . . . 0.96 113.084 -177.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.6 -38.51 84.09 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.005 0.431 . . . . 4.41 110.211 -176.355 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.433 ' HZ ' ' C ' ' A' ' 10' ' ' GLY . 61.8 m-85 -103.88 14.71 30.27 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 112.86 0.689 . . . . 0.49 112.86 -174.702 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.758 ' HB3' ' HB2' ' A' ' 81' ' ' ALA . 20.8 m-20 58.82 49.55 9.79 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 124.143 0.902 . . . . 1.95 110.422 178.06 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.73 HG23 ' H ' ' A' ' 57' ' ' LYS . 7.5 p -141.25 -169.76 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.295 -1.796 0 N-CA-C 109.458 -0.571 . . . . 1.96 109.458 -177.428 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.73 ' H ' HG23 ' A' ' 56' ' ' VAL . 5.4 tmtm? -146.28 133.3 20.29 Favored 'General case' 0 C--N 1.294 -1.842 0 N-CA-C 103.963 -2.606 . . . . 3.77 103.963 176.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.493 ' N ' ' HD3' ' A' ' 57' ' ' LYS . 43.5 mt -130.52 98.07 20.82 Favored Pre-proline 0 C--N 1.303 -1.424 0 N-CA-C 108.655 -0.868 . . . . 1.24 108.655 -177.808 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.451 ' HD2' ' HA ' ' A' ' 58' ' ' ILE . 17.8 Cg_endo -61.16 131.15 35.26 Favored 'Trans proline' 0 N--CA 1.457 -0.675 0 C-N-CA 122.875 2.384 . . . . 0.79 111.024 179.029 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -52.82 -32.61 45.14 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.866 0.867 . . . . 2.3 112.666 -177.255 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -65.96 -34.2 77.57 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-O 120.876 0.37 . . . . 2.38 111.252 178.371 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -86.53 -23.01 26.03 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.644 -0.502 . . . . 1.52 109.644 -175.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.601 HG13 ' H5 ' ' A' ' 101' ' ' SXO . 81.2 t -54.98 -58.53 3.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 CA-C-N 115.168 -0.924 . . . . 1.42 109.595 175.522 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 57.0 mttp -61.32 -16.18 43.28 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 116.049 -0.523 . . . . 1.93 112.111 -178.009 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -85.0 -23.09 28.82 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-O 120.671 0.272 . . . . 2.65 110.844 -176.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.561 HD11 ' HA ' ' A' ' 72' ' ' ALA . 77.3 mt -91.16 -176.05 4.47 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.799 -0.445 . . . . 1.24 109.799 -179.456 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.513 ' HE3' ' HB2' ' A' ' 67' ' ' LYS . 17.7 ptmt -148.27 -67.38 0.24 Allowed 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 115.584 1.698 . . . . 3.26 115.584 178.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.426 HG22 ' HB3' ' A' ' 31' ' ' SER . 65.0 p -87.03 176.5 7.6 Favored 'General case' 0 N--CA 1.44 -0.94 0 N-CA-C 109.682 -0.488 . . . . 1.17 109.682 -176.629 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 22.3 m -79.08 -19.14 12.92 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.275 0 C-N-CA 120.393 -0.523 . . . . 1.35 109.814 177.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -80.1 -30.38 42.48 Favored Glycine 0 N--CA 1.444 -0.795 0 N-CA-C 110.066 -1.214 . . . . 0.46 110.066 174.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -76.52 -31.54 57.71 Favored 'General case' 0 C--N 1.311 -1.078 0 N-CA-C 108.35 -0.981 . . . . 1.62 108.35 176.017 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.561 ' HA ' HD11 ' A' ' 66' ' ' LEU . . . -73.92 -48.02 33.65 Favored 'General case' 0 CA--C 1.505 -0.758 0 CA-C-N 114.816 -1.084 . . . . 1.21 111.636 -178.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 13.2 p -61.17 -23.15 65.36 Favored 'General case' 0 N--CA 1.436 -1.151 0 N-CA-C 113.042 0.756 . . . . 1.16 113.042 -177.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -70.1 -26.98 64.24 Favored 'General case' 0 C--N 1.319 -0.732 0 O-C-N 123.351 0.407 . . . . 4.01 110.133 -179.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 79.8 t80 -84.58 -47.34 10.65 Favored 'General case' 0 C--O 1.246 0.917 0 CA-C-O 121.671 0.748 . . . . 1.09 109.548 176.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.638 HG22 HG13 ' A' ' 56' ' ' VAL . 79.7 mt -57.15 -55.51 20.14 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.008 0 CA-C-N 114.703 -1.135 . . . . 1.26 110.316 -179.534 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.432 ' HA ' ' HG2' ' A' ' 80' ' ' GLN . 67.7 tp -65.9 -24.01 66.75 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 123.299 0.64 . . . . 2.3 111.55 -179.352 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -70.84 -42.46 70.13 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 120.742 -0.383 . . . . 1.32 111.523 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 -84.24 -62.44 1.56 Allowed 'General case' 0 C--N 1.318 -0.802 0 C-N-CA 119.325 -0.95 . . . . 3.57 110.901 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.483 ' OE1' ' HA ' ' A' ' 1' ' ' ALA . 69.3 mm-40 48.38 174.92 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 117.348 2.351 . . . . 2.23 117.348 178.298 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.758 ' HB2' ' HB3' ' A' ' 55' ' ' ASP . . . . . . . . 0 N--CA 1.436 -1.132 0 CA-C-N 113.47 -1.696 . . . . 3.38 106.634 173.327 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' SXO . . . . . 0.601 ' H5 ' HG13 ' A' ' 63' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.239 0.549 0 CA-C-O 120.629 0.252 . . . . 2.71 110.639 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -158.61 137.81 11.51 Favored 'General case' 0 CA--C 1.499 -0.992 0 N-CA-C 110.241 -0.281 . . . . 1.46 110.241 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.613 ' O ' HG12 ' A' ' 7' ' ' ILE . 8.9 t -80.05 171.0 15.67 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 120.55 -0.46 . . . . 2.11 111.214 179.172 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.461 ' HG2' HD12 ' A' ' 28' ' ' LEU . 31.5 tt0 -57.52 -28.43 63.47 Favored 'General case' 0 N--CA 1.434 -1.269 0 C-N-CA 124.118 0.967 . . . . 2.34 109.844 179.335 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -71.95 -49.03 40.98 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 109.109 -0.7 . . . . 3.05 109.109 179.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.44 ' HG3' HG22 ' A' ' 3' ' ' THR . 45.2 mt-10 -65.46 -35.89 82.25 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 114.909 -1.041 . . . . 2.53 109.859 179.569 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.613 HG12 ' O ' ' A' ' 3' ' ' THR . 37.2 mm -59.12 -56.76 14.87 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.323 0 O-C-N 123.794 0.684 . . . . 1.16 109.583 179.401 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.452 ' HA ' HD13 ' A' ' 11' ' ' LEU . 88.3 t -56.04 -47.9 79.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 CA-C-N 115.995 -0.548 . . . . 1.22 110.465 179.594 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.27 -38.59 71.38 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 115.925 -0.579 . . . . 1.24 111.345 178.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -69.61 -39.59 78.23 Favored Glycine 0 C--O 1.227 -0.343 0 N-CA-C 111.089 -0.805 . . . . 0.38 111.089 179.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.452 HD13 ' HA ' ' A' ' 8' ' ' VAL . 96.6 mt -58.25 -46.22 86.37 Favored 'General case' 0 C--O 1.24 0.58 0 CA-C-O 121.407 0.623 . . . . 1.12 109.973 178.34 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.5 -23.66 67.49 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 114.988 -1.005 . . . . 1.1 112.648 -178.139 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -64.28 -47.3 80.05 Favored 'General case' 0 CA--C 1.509 -0.624 0 N-CA-C 109.72 -0.474 . . . . 2.48 109.72 178.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.81 ' HB ' HG22 ' A' ' 46' ' ' VAL . 3.6 mp -79.42 -30.88 13.97 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.631 0 C-N-CA 119.53 -0.868 . . . . 1.14 109.572 179.396 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 59.0 t -65.58 -23.38 32.57 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.276 0 O-C-N 121.197 -0.94 . . . . 1.11 110.564 176.295 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -68.71 -39.98 80.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 122.012 -0.43 . . . . 0.95 109.995 176.062 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.409 ' HG2' ' HA ' ' A' ' 14' ' ' ILE . 12.5 pt-20 -80.99 -28.76 35.41 Favored 'General case' 0 C--N 1.318 -0.798 0 C-N-CA 120.545 -0.462 . . . . 2.11 111.062 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.581 HG13 ' HB ' ' A' ' 46' ' ' VAL . 46.5 mm -76.3 -53.8 14.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.889 0.376 . . . . 1.33 110.251 178.67 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -110.36 -56.8 2.29 Favored 'General case' 0 C--N 1.305 -1.333 0 CA-C-N 116.179 -0.464 . . . . 1.22 111.092 -175.148 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 113.81 80.33 0.95 Allowed Glycine 0 C--N 1.3 -1.444 0 C-N-CA 119.917 -1.135 . . . . 0.93 111.715 -177.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.413 ' O ' HD12 ' A' ' 21' ' ' ILE . 1.9 pp -139.34 150.22 63.35 Favored Pre-proline 0 C--N 1.3 -1.566 0 C-N-CA 123.442 0.697 . . . . 1.31 109.274 178.297 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -64.77 141.42 71.93 Favored 'Trans proline' 0 N--CA 1.45 -1.069 0 C-N-CA 121.731 1.621 . . . . 0.86 109.507 176.088 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 35.6 m -72.32 6.86 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.348 0 N-CA-C 113.558 0.947 . . . . 2.05 113.558 -177.246 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -112.97 -10.33 13.52 Favored 'General case' 0 N--CA 1.437 -1.115 0 CA-C-N 115.668 -0.696 . . . . 2.03 109.493 176.282 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -76.31 -34.01 59.05 Favored 'General case' 0 C--O 1.243 0.757 0 CA-C-O 121.851 0.834 . . . . 1.07 109.619 -177.518 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.478 HG22 HD23 ' A' ' 36' ' ' LEU . 24.5 t -79.42 92.3 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.447 0 CA-C-N 114.285 -1.325 . . . . 1.46 108.327 -179.652 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.527 ' H ' ' HG3' ' A' ' 30' ' ' LYS . 63.2 mttp -99.87 -177.93 3.7 Favored 'General case' 0 C--N 1.296 -1.721 0 N-CA-C 108.114 -1.069 . . . . 3.36 108.114 175.56 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.461 HD12 ' HG2' ' A' ' 4' ' ' GLN . 4.1 mm? -60.26 -42.03 94.47 Favored 'General case' 0 C--O 1.245 0.856 0 N-CA-C 115.35 1.611 . . . . 1.64 115.35 -171.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -99.6 64.18 1.28 Allowed 'General case' 0 C--N 1.299 -1.587 0 C-N-CA 118.175 -1.41 . . . . 2.47 110.71 -178.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.527 ' HG3' ' H ' ' A' ' 27' ' ' LYS . 27.4 mmmt -132.41 123.36 26.56 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 113.843 -1.526 . . . . 1.67 107.502 177.166 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.67 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 50.5 p -95.86 156.55 16.28 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 109.047 -0.723 . . . . 1.72 109.047 177.345 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.631 ' HA ' HD12 ' A' ' 36' ' ' LEU . 95.1 m-85 -75.2 28.47 0.09 Allowed 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 124.326 1.05 . . . . 1.03 113.076 -173.856 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.426 ' CG2' ' H43' ' A' ' 101' ' ' SXO . 6.0 t -165.94 -56.96 0.03 OUTLIER 'General case' 0 N--CA 1.44 -0.974 0 N-CA-C 112.028 0.381 . . . . 1.85 112.028 -178.418 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -75.19 -41.45 57.88 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-O 121.136 0.493 . . . . 2.31 111.218 -175.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.497 ' HB3' ' HD2' ' A' ' 30' ' ' LYS . 9.4 m-20 -90.9 -47.89 7.33 Favored 'General case' 0 C--N 1.308 -1.213 0 CA-C-N 116.171 -0.468 . . . . 1.67 110.245 179.139 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.631 HD12 ' HA ' ' A' ' 32' ' ' PHE . 37.5 mt -72.33 156.35 39.19 Favored 'General case' 0 N--CA 1.436 -1.15 0 CA-C-N 115.86 -0.609 . . . . 1.23 112.05 -177.324 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -91.62 66.68 5.36 Favored 'General case' 0 CA--C 1.487 -1.466 0 N-CA-C 106.786 -1.561 . . . . 2.15 106.786 178.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.441 HG21 ' HB3' ' A' ' 36' ' ' LEU . 48.8 t -136.91 131.81 46.96 Favored 'Isoleucine or valine' 0 C--N 1.276 -2.6 0 CA-C-N 113.069 -1.878 . . . . 2.86 106.733 -179.022 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -41.52 -71.63 0.08 Allowed 'General case' 0 N--CA 1.477 0.878 0 O-C-N 124.646 1.216 . . . . 2.96 108.592 170.063 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.925 ' HB2' H42A ' A' ' 101' ' ' SXO . 88.6 p 151.39 -48.76 0.01 OUTLIER 'General case' 0 CA--C 1.475 -1.915 0 C-N-CA 127.163 2.185 . . . . 1.56 109.389 167.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.404 HD12 ' OG ' ' A' ' 40' ' ' SER . 6.7 mp -63.14 -21.43 66.19 Favored 'General case' 0 C--O 1.212 -0.88 0 CA-C-O 121.569 0.7 . . . . 1.81 110.015 -176.552 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.7 m -68.76 -19.34 64.32 Favored 'General case' 0 CA--C 1.558 1.278 0 C-N-CA 124.238 1.015 . . . . 1.5 111.53 176.585 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.485 ' HE3' ' H3 ' ' A' ' 101' ' ' SXO . 9.6 tmm? -66.14 -24.76 66.72 Favored 'General case' 0 C--O 1.216 -0.679 0 CA-C-O 121.109 0.48 . . . . 1.2 110.183 -178.452 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.422 ' HA ' HG12 ' A' ' 47' ' ' VAL . 47.0 t -56.75 -33.64 41.26 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.198 0 CA-C-O 121.078 0.466 . . . . 1.3 110.674 179.319 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -73.54 -28.41 61.86 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 116.3 -0.409 . . . . 2.06 112.055 177.093 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.81 HG22 ' HB ' ' A' ' 14' ' ' ILE . 11.4 p -83.14 -36.67 13.06 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.549 0 C-N-CA 119.97 -0.692 . . . . 2.03 111.264 178.757 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.422 HG12 ' HA ' ' A' ' 44' ' ' VAL . 13.5 p -63.21 -41.29 92.24 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.738 0 C-N-CA 120.651 -0.419 . . . . 1.22 111.788 -179.422 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 13.2 p -71.56 -21.97 21.71 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.904 0 CA-C-O 121.771 0.796 . . . . 1.35 110.66 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.421 ' O ' ' HG2' ' A' ' 53' ' ' ARG . . . -86.16 -29.52 23.18 Favored 'General case' 0 N--CA 1.442 -0.841 0 CA-C-O 121.433 0.635 . . . . 1.09 109.814 178.456 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.63 -25.03 63.74 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 116.163 -0.471 . . . . 1.07 111.217 -178.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.468 ' HA ' HG23 ' A' ' 56' ' ' VAL . 43.9 mt-10 -57.38 -46.92 82.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.511 -0.313 . . . . 0.8 110.736 179.415 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -74.13 -36.32 64.16 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.136 0.493 . . . . 0.96 110.173 178.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.543 ' HG3' HD11 ' A' ' 14' ' ' ILE . 30.0 mmm180 -71.18 -24.8 62.3 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.943 0.72 . . . . 4.41 112.943 -173.572 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -116.43 10.1 14.54 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 112.458 0.54 . . . . 0.49 112.458 -179.082 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 60.22 41.94 15.97 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 123.7 0.625 . . . . 1.95 110.361 179.278 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.468 HG23 ' HA ' ' A' ' 51' ' ' GLU . 31.3 m -127.07 -171.25 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.023 0 CA-C-N 116.002 -0.545 . . . . 1.96 111.003 -177.66 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 42.7 tptt -155.79 125.34 6.34 Favored 'General case' 0 N--CA 1.428 -1.567 0 N-CA-C 104.24 -2.504 . . . . 3.77 104.24 173.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.416 HD12 ' H8A' ' A' ' 101' ' ' SXO . 60.1 mt -121.17 116.01 31.29 Favored Pre-proline 0 C--N 1.308 -1.203 0 C-N-CA 120.889 -0.324 . . . . 1.24 110.99 -171.394 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.417 ' O ' HG23 ' A' ' 63' ' ' VAL . 26.3 Cg_exo -63.96 135.31 47.19 Favored 'Trans proline' 0 C--O 1.24 0.592 0 C-N-CA 123.245 2.63 . . . . 0.79 111.226 179.202 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -58.57 -33.15 69.61 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 112.884 0.698 . . . . 2.3 112.884 -175.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -65.95 -30.56 71.15 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 116.349 -0.387 . . . . 2.38 110.061 179.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.415 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 5.6 t70 -85.05 -30.72 23.88 Favored 'General case' 0 N--CA 1.438 -1.029 0 N-CA-C 109.337 -0.616 . . . . 1.52 109.337 -175.318 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.417 ' O ' ' H2 ' ' A' ' 101' ' ' SXO . 88.3 t -52.93 -60.79 1.01 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.363 0 CA-C-N 114.885 -1.052 . . . . 1.42 109.302 175.263 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -66.71 -7.79 23.39 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 112.809 0.67 . . . . 1.93 112.809 -178.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -87.9 -25.7 23.11 Favored 'General case' 0 C--N 1.305 -1.327 0 CA-C-O 120.907 0.384 . . . . 2.65 111.154 -179.497 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.536 HD12 ' HA ' ' A' ' 72' ' ' ALA . 79.7 mt -82.96 176.39 9.31 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 116.158 -0.474 . . . . 1.24 110.699 -176.376 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -135.4 -71.21 0.48 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.196 0.522 . . . . 3.26 111.992 -176.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.67 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 67.4 p -96.62 179.1 5.11 Favored 'General case' 0 N--CA 1.429 -1.48 0 CA-C-N 116.355 -0.384 . . . . 1.17 110.702 -177.29 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.503 HG13 ' CZ ' ' A' ' 32' ' ' PHE . 32.1 m -74.75 -17.81 16.45 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.108 0 N-CA-C 109.571 -0.529 . . . . 1.35 109.571 175.41 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -69.85 -32.69 70.23 Favored Glycine 0 N--CA 1.436 -1.306 0 N-CA-C 110.064 -1.214 . . . . 0.46 110.064 174.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -77.89 -37.55 47.76 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.98 -0.748 . . . . 1.62 108.98 177.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.536 ' HA ' HD12 ' A' ' 66' ' ' LEU . . . -65.92 -45.97 79.98 Favored 'General case' 0 CA--C 1.507 -0.701 0 CA-C-N 114.855 -1.066 . . . . 1.21 111.336 -176.603 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.654 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 17.3 p -59.0 -39.6 82.34 Favored 'General case' 0 N--CA 1.432 -1.339 0 CA-C-N 115.548 -0.751 . . . . 1.16 112.411 -178.194 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 60.5 tttm -60.65 -33.97 73.59 Favored 'General case' 0 CA--C 1.533 0.298 0 O-C-N 123.622 0.576 . . . . 4.01 110.577 -178.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -77.23 -48.5 17.37 Favored 'General case' 0 C--O 1.241 0.62 0 CA-C-O 121.355 0.598 . . . . 1.09 109.893 176.347 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.41 HG13 ' O ' ' A' ' 72' ' ' ALA . 83.1 mt -57.97 -56.84 13.39 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.95 0 CA-C-N 115.703 -0.68 . . . . 1.26 111.891 -175.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.654 ' HG ' ' O ' ' A' ' 73' ' ' THR . 2.9 pp -62.68 -21.28 65.62 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.666 0.617 . . . . 2.3 112.666 -178.714 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -72.9 -44.04 61.72 Favored 'General case' 0 C--N 1.307 -1.26 0 CA-C-N 115.608 -0.724 . . . . 1.32 110.371 178.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 51.1 m170 -102.71 4.82 38.5 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 114.756 1.391 . . . . 3.57 114.756 -178.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.516 ' NE2' HD13 ' A' ' 7' ' ' ILE . 3.9 pt20 -65.83 136.09 55.71 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 112.265 0.469 . . . . 2.23 112.265 -176.659 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.898 0 C-N-CA 125.565 1.546 . . . . 3.38 112.737 175.913 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' SXO . . . . . 0.925 H42A ' HB2' ' A' ' 40' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.516 -0.335 0 N-CA-C 108.597 -0.89 . . . . 2.71 108.597 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.447 ' HB2' ' HB2' ' A' ' 6' ' ' GLU . . . -140.88 171.58 13.88 Favored 'General case' 0 N--CA 1.435 -1.199 0 N-CA-C 109.345 -0.613 . . . . 1.46 109.345 -176.381 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.553 ' O ' HG12 ' A' ' 7' ' ' ILE . 4.7 m -97.37 175.83 6.11 Favored 'General case' 0 C--N 1.307 -1.273 0 CA-C-O 119.009 -0.52 . . . . 2.11 110.014 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.475 ' O ' HG23 ' A' ' 8' ' ' VAL . 61.1 tt0 -39.76 -57.64 1.5 Allowed 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 116.003 1.853 . . . . 2.34 116.003 -172.039 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -74.09 -34.25 63.91 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 119.002 -1.079 . . . . 3.05 111.699 -175.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.447 ' HB2' ' HB2' ' A' ' 2' ' ' ALA . 56.4 mm-40 -65.9 -33.75 76.54 Favored 'General case' 0 N--CA 1.457 -0.12 0 N-CA-C 109.112 -0.699 . . . . 2.53 109.112 176.25 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.553 HG12 ' O ' ' A' ' 3' ' ' THR . 32.1 mm -62.46 -54.64 31.36 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.665 0 CA-C-N 115.435 -0.802 . . . . 1.16 109.546 175.509 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 4' ' ' GLN . 42.6 t -55.33 -48.56 76.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 N-CA-C 110.087 -0.338 . . . . 1.22 110.087 179.669 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.415 ' O ' ' HG3' ' A' ' 13' ' ' GLU . . . -60.48 -36.25 77.86 Favored 'General case' 0 C--O 1.22 -0.484 0 CA-C-N 115.912 -0.585 . . . . 1.24 110.828 178.733 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.464 ' HA2' ' OE2' ' A' ' 13' ' ' GLU . . . -66.88 -38.56 93.0 Favored Glycine 0 CA--C 1.505 -0.571 0 N-CA-C 111.216 -0.754 . . . . 0.38 111.216 179.11 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.46 HD12 ' HA ' ' A' ' 8' ' ' VAL . 89.8 mt -60.33 -46.96 88.05 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 108.599 -0.889 . . . . 1.12 108.599 176.052 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.83 -24.96 67.01 Favored 'General case' 0 N--CA 1.439 -1.023 0 CA-C-N 114.966 -1.016 . . . . 1.1 112.156 -179.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.464 ' OE2' ' HA2' ' A' ' 10' ' ' GLY . 49.4 mt-10 -57.86 -47.23 83.31 Favored 'General case' 0 CA--C 1.508 -0.641 0 CA-C-O 121.12 0.486 . . . . 2.48 109.764 177.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.919 ' HB ' HG23 ' A' ' 46' ' ' VAL . 3.6 mp -84.72 -36.36 11.37 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.575 0 C-N-CA 119.47 -0.892 . . . . 1.14 110.184 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.496 HG21 HG11 ' A' ' 46' ' ' VAL . 61.0 t -61.43 -23.26 29.99 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.408 0 CA-C-O 122.127 0.965 . . . . 1.11 110.786 178.431 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -66.29 -41.12 90.24 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.716 -0.674 . . . . 0.95 111.652 175.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -82.85 -31.6 27.94 Favored 'General case' 0 C--N 1.309 -1.154 0 C-N-CA 119.947 -0.701 . . . . 2.11 110.836 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.514 HG12 ' O ' ' A' ' 14' ' ' ILE . 50.0 mm -71.34 -53.67 20.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.034 -0.53 . . . . 1.33 110.029 179.134 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -102.91 -60.87 1.48 Allowed 'General case' 0 C--N 1.306 -1.285 0 CA-C-N 115.817 -0.628 . . . . 1.22 110.925 -176.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 132.59 8.4 2.51 Favored Glycine 0 C--N 1.312 -0.771 0 C-N-CA 119.334 -1.412 . . . . 0.93 113.875 -178.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.413 ' HA ' ' HD3' ' A' ' 22' ' ' PRO . 2.3 pp -74.28 148.82 86.49 Favored Pre-proline 0 C--N 1.318 -0.776 0 N-CA-C 112.555 0.576 . . . . 1.31 112.555 179.572 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 21' ' ' ILE . 33.7 Cg_exo -63.28 139.62 72.76 Favored 'Trans proline' 0 C--O 1.247 0.936 0 C-N-CA 122.479 2.12 . . . . 0.86 111.013 176.195 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 26.9 m -72.78 18.09 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 N-CA-C 113.35 0.87 . . . . 2.05 113.35 -178.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.412 ' H ' ' C ' ' A' ' 22' ' ' PRO . 11.4 pt-20 -137.24 2.59 2.54 Favored 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 108.803 -0.814 . . . . 2.03 108.803 178.311 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -89.79 -35.99 15.39 Favored 'General case' 0 CA--C 1.502 -0.89 0 CA-C-O 122.115 0.959 . . . . 1.07 108.828 -178.131 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.494 ' HA ' ' HG3' ' A' ' 30' ' ' LYS . 60.3 t -78.99 98.7 2.88 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.489 0 CA-C-N 114.345 -1.298 . . . . 1.46 108.232 177.257 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -111.98 -167.08 1.14 Allowed 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 107.714 -1.217 . . . . 3.36 107.714 174.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.432 HD13 ' HA ' ' A' ' 28' ' ' LEU 0.275 4.2 mm? -59.67 -33.12 71.14 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 117.012 2.227 . . . . 1.64 117.012 -172.514 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -91.8 69.71 5.59 Favored 'General case' 0 C--N 1.302 -1.458 0 CA-C-O 121.991 0.9 . . . . 2.47 111.291 178.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.522 ' HD2' HD21 ' A' ' 36' ' ' LEU . 34.7 mmtm -140.84 136.95 32.9 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-N 114.288 -1.324 . . . . 1.67 110.99 179.538 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.482 ' H ' ' HB3' ' A' ' 35' ' ' ASP . 52.0 p -118.26 157.19 27.49 Favored 'General case' 0 C--N 1.306 -1.307 0 N-CA-C 107.434 -1.321 . . . . 1.72 107.434 171.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.567 ' CZ ' HG12 ' A' ' 69' ' ' VAL . 83.8 m-85 -85.5 30.94 0.6 Allowed 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 113.545 0.943 . . . . 1.03 113.545 -169.495 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.543 ' HA ' ' O ' ' A' ' 38' ' ' VAL . 4.4 t -175.65 -54.68 0.01 OUTLIER 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 116.506 -0.315 . . . . 1.85 111.289 177.52 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -69.54 -47.18 64.59 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 112.148 0.425 . . . . 2.31 112.148 -175.119 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.506 ' OD2' ' HD3' ' A' ' 30' ' ' LYS . 17.8 t70 -83.34 -40.77 19.02 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.21 0.529 . . . . 1.67 110.314 179.47 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.522 HD21 ' HD2' ' A' ' 30' ' ' LYS . 67.8 mt -82.69 -171.63 3.61 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-N 115.936 -0.575 . . . . 1.23 111.775 -178.641 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -117.45 1.91 12.38 Favored 'General case' 0 C--N 1.31 -1.152 0 CA-C-O 121.957 0.884 . . . . 2.15 109.154 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.543 ' O ' ' HA ' ' A' ' 33' ' ' THR . 7.6 p -89.28 126.25 42.26 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.574 0 N-CA-C 106.794 -1.558 . . . . 2.86 106.794 175.756 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -74.34 164.09 27.01 Favored 'General case' 0 C--N 1.301 -1.507 0 C-N-CA 120.519 -0.473 . . . . 2.96 111.761 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.516 ' CB ' H42A ' A' ' 101' ' ' SXO . 33.8 p -66.88 -43.67 82.9 Favored 'General case' 0 C--N 1.298 -1.647 0 CA-C-N 115.685 -0.689 . . . . 1.56 110.226 -179.706 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.8 mp -61.83 -23.85 66.52 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-O 121.816 0.817 . . . . 1.81 109.638 177.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 46.8 t -84.12 -37.95 21.33 Favored 'General case' 0 N--CA 1.429 -1.512 0 CA-C-N 115.056 -0.975 . . . . 1.5 109.733 178.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.566 ' SD ' ' H6A' ' A' ' 101' ' ' SXO . 35.5 ttp -59.74 -23.24 63.04 Favored 'General case' 0 C--N 1.359 1.011 0 CA-C-O 121.28 0.562 . . . . 1.2 110.457 177.691 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.475 ' HA ' HG11 ' A' ' 47' ' ' VAL . 57.7 t -56.47 -24.06 18.02 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.349 0 C-N-CA 123.101 0.56 . . . . 1.3 111.473 178.477 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 -78.94 -38.07 38.14 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.999 0.428 . . . . 2.06 111.039 177.173 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.919 HG23 ' HB ' ' A' ' 14' ' ' ILE . 3.6 p -84.47 -32.99 8.27 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.792 0 N-CA-C 113.006 0.743 . . . . 2.03 113.006 -178.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.527 HG23 ' H7A' ' A' ' 101' ' ' SXO . 13.9 p -61.41 -40.25 85.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 O-C-N 122.212 -0.305 . . . . 1.22 111.714 -177.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 14.9 p -70.12 -31.77 48.66 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.765 0 CA-C-O 121.473 0.654 . . . . 1.35 110.121 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.69 -17.95 46.15 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.548 -0.751 . . . . 1.09 110.277 -179.342 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.63 -29.97 63.92 Favored 'General case' 0 C--N 1.31 -1.139 0 CA-C-N 116.197 -0.456 . . . . 1.07 110.046 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.455 ' HA ' HG22 ' A' ' 56' ' ' VAL . 42.2 mt-10 -58.57 -49.89 75.79 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 115.93 -0.577 . . . . 0.8 111.023 179.671 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -68.96 -42.96 75.93 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.137 -0.483 . . . . 0.96 111.25 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.713 ' HG3' HD12 ' A' ' 14' ' ' ILE . 27.3 mmt180 -62.58 -39.9 95.17 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 112.852 0.686 . . . . 4.41 112.852 -177.828 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -101.95 -4.69 25.71 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 113.752 1.019 . . . . 0.49 113.752 -175.077 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 70.64 46.15 0.55 Allowed 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 123.322 0.649 . . . . 1.95 109.779 -178.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.455 HG22 ' HA ' ' A' ' 51' ' ' GLU . 17.3 m -126.06 -174.26 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.507 0.67 . . . . 1.96 112.338 -178.344 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -139.51 123.13 17.38 Favored 'General case' 0 N--CA 1.43 -1.426 0 N-CA-C 105.984 -1.858 . . . . 3.77 105.984 174.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 38.4 mt -129.67 100.36 19.64 Favored Pre-proline 0 C--N 1.304 -1.401 0 N-CA-C 108.82 -0.808 . . . . 1.24 108.82 -177.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.538 ' O ' HG23 ' A' ' 63' ' ' VAL . 16.9 Cg_exo -70.84 149.51 60.09 Favored 'Trans proline' 0 C--O 1.235 0.363 0 C-N-CA 123.316 2.677 . . . . 0.79 111.989 178.624 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -53.18 -41.53 65.32 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 124.719 1.207 . . . . 2.3 112.075 -176.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -73.58 -34.26 65.02 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 120.707 0.289 . . . . 2.38 110.958 -178.642 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -71.88 -32.97 67.98 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.848 -0.615 . . . . 1.52 109.461 -175.084 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 59' ' ' PRO . 86.8 t -51.75 -47.15 39.6 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 CA-C-N 115.427 -0.806 . . . . 1.42 110.115 176.039 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -67.78 -5.04 14.35 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 115.443 -0.798 . . . . 1.93 112.422 -176.518 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -94.59 -10.14 32.94 Favored 'General case' 0 C--N 1.317 -0.834 0 O-C-N 121.975 -0.453 . . . . 2.65 110.546 -177.147 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.526 HD11 ' HA ' ' A' ' 72' ' ' ALA . 83.8 mt -101.97 -177.55 3.45 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 108.743 -0.836 . . . . 1.24 108.743 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.9 ptpp? -146.58 -52.75 0.23 Allowed 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 119.558 -0.857 . . . . 3.26 112.943 -178.067 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 71.6 p -112.74 -176.41 2.9 Favored 'General case' 0 C--O 1.247 0.946 0 O-C-N 121.662 -0.649 . . . . 1.17 109.871 179.285 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.567 HG12 ' CZ ' ' A' ' 32' ' ' PHE . 33.5 m -76.01 -14.03 15.01 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.09 0 N-CA-C 109.392 -0.595 . . . . 1.35 109.392 174.595 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.4 ' O ' ' HG2' ' A' ' 74' ' ' LYS . . . -72.08 -33.13 62.52 Favored Glycine 0 N--CA 1.437 -1.266 0 N-CA-C 110.23 -1.148 . . . . 0.46 110.23 176.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -80.21 -40.18 27.65 Favored 'General case' 0 CA--C 1.503 -0.838 0 N-CA-C 108.623 -0.88 . . . . 1.62 108.623 178.236 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.526 ' HA ' HD11 ' A' ' 66' ' ' LEU . . . -61.36 -46.84 88.52 Favored 'General case' 0 CA--C 1.501 -0.932 0 CA-C-N 114.557 -1.202 . . . . 1.21 110.615 -176.017 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.57 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 6.5 p -55.04 -45.95 75.27 Favored 'General case' 0 N--CA 1.44 -0.959 0 O-C-N 123.903 0.752 . . . . 1.16 112.061 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.4 ' HG2' ' O ' ' A' ' 70' ' ' GLY . 42.0 mmtm -59.26 -47.96 83.4 Favored 'General case' 0 C--O 1.219 -0.534 0 O-C-N 123.905 0.753 . . . . 4.01 110.417 -179.791 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -65.76 -42.46 90.86 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 123.629 0.581 . . . . 1.09 111.877 -178.093 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.56 ' O ' ' HG3' ' A' ' 80' ' ' GLN . 89.2 mt -62.18 -65.01 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.309 -1.18 0 CA-C-O 119.021 -0.514 . . . . 1.26 111.172 -177.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.57 ' HG ' ' O ' ' A' ' 73' ' ' THR 0.271 1.8 pp -57.27 -21.11 32.2 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 113.194 0.813 . . . . 2.3 113.194 177.677 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -70.73 -42.89 69.95 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 115.86 -0.609 . . . . 1.32 110.622 174.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -98.27 4.32 48.77 Favored 'General case' 0 C--N 1.312 -1.026 0 N-CA-C 113.935 1.087 . . . . 3.57 113.935 -174.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.56 ' HG3' ' O ' ' A' ' 76' ' ' ILE . 25.5 mt-30 -64.89 154.69 36.57 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 111.841 0.311 . . . . 2.23 111.841 179.135 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.849 0 C-N-CA 125.618 1.567 . . . . 3.38 113.146 -178.603 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' SXO . . . . . 0.566 ' H6A' ' SD ' ' A' ' 43' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.239 0.538 0 N-CA-C 108.529 -0.915 . . . . 2.71 108.529 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -78.9 131.39 36.38 Favored 'General case' 0 C--N 1.308 -1.223 0 N-CA-C 108.425 -0.954 . . . . 1.46 108.425 176.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.534 ' O ' HG12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -93.83 -167.26 1.65 Allowed 'General case' 0 C--N 1.299 -1.617 0 C-N-CA 118.852 -1.139 . . . . 2.11 110.952 -177.682 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -53.66 -49.87 67.03 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 113.709 1.003 . . . . 2.34 113.709 -169.04 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -61.37 -39.88 92.26 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 123.162 0.289 . . . . 3.05 111.231 -179.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -73.06 -32.27 64.93 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.831 -0.622 . . . . 2.53 110.083 -177.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.534 HG12 ' O ' ' A' ' 3' ' ' THR . 38.1 mm -61.77 -59.1 4.84 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.838 0 N-CA-C 108.293 -1.002 . . . . 1.16 108.293 175.413 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 91.5 t -53.79 -52.89 30.69 Favored 'Isoleucine or valine' 0 C--O 1.242 0.688 0 C-N-CA 123.604 0.762 . . . . 1.22 110.84 179.32 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.49 -39.84 77.31 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 116.097 -0.501 . . . . 1.24 111.143 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.85 -41.54 88.13 Favored Glycine 0 N--CA 1.437 -1.255 0 N-CA-C 110.944 -0.863 . . . . 0.38 110.944 -179.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.508 ' O ' HG23 ' A' ' 15' ' ' VAL . 96.5 mt -56.8 -48.69 77.36 Favored 'General case' 0 CA--C 1.503 -0.858 0 C-N-CA 123.088 0.555 . . . . 1.12 109.584 177.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.33 -27.81 62.55 Favored 'General case' 0 C--O 1.207 -1.141 0 CA-C-N 115.125 -0.943 . . . . 1.1 112.708 -178.088 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -68.0 -38.76 83.01 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 120.99 -0.284 . . . . 2.48 111.542 178.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.59 ' HB ' HG23 ' A' ' 46' ' ' VAL . 3.9 mp -82.55 -27.32 8.61 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.99 0 C-N-CA 119.561 -0.856 . . . . 1.14 109.004 176.309 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 11' ' ' LEU . 47.8 t -69.16 -26.84 32.92 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.014 0 CA-C-O 121.648 0.737 . . . . 1.11 109.334 175.726 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -72.91 -31.67 64.81 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 123.409 0.684 . . . . 0.95 109.696 173.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -68.49 -38.63 81.16 Favored 'General case' 0 C--N 1.308 -1.205 0 N-CA-C 108.719 -0.845 . . . . 2.11 108.719 178.102 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.418 HG12 ' O ' ' A' ' 14' ' ' ILE . 49.1 mm -83.66 -52.4 12.98 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.923 0 CA-C-N 114.897 -1.047 . . . . 1.33 112.407 -177.362 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.467 ' HB3' ' HB3' ' A' ' 37' ' ' ASP . . . -116.5 -1.98 12.11 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 114.138 1.162 . . . . 1.22 114.138 -172.718 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.02 27.68 73.61 Favored Glycine 0 C--N 1.31 -0.893 0 N-CA-C 115.048 0.779 . . . . 0.93 115.048 177.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.466 HD13 ' HB ' ' A' ' 15' ' ' VAL . 2.3 pp -80.16 151.53 72.87 Favored Pre-proline 0 C--N 1.32 -0.708 0 CA-C-N 117.758 0.779 . . . . 1.31 111.758 178.622 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.425 ' HG2' ' HB2' ' A' ' 25' ' ' ASP . 36.9 Cg_endo -71.11 144.71 47.6 Favored 'Trans proline' 0 N--CA 1.443 -1.483 0 C-N-CA 121.738 1.626 . . . . 0.86 110.232 173.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.1 m -79.98 8.06 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.313 -0.982 0 CA-C-O 121.587 0.708 . . . . 2.05 112.651 -175.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -100.76 -17.22 17.03 Favored 'General case' 0 C--N 1.308 -1.231 0 N-CA-C 108.43 -0.952 . . . . 2.03 108.43 178.153 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.661 ' O ' ' HE3' ' A' ' 30' ' ' LYS . 19.9 t70 -77.06 -44.16 31.71 Favored 'General case' 0 CA--C 1.505 -0.775 0 CA-C-N 115.586 -0.734 . . . . 1.07 109.666 -176.565 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.584 ' HA ' ' HG3' ' A' ' 30' ' ' LYS . 40.6 t -70.48 94.9 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.151 0 CA-C-N 114.82 -1.082 . . . . 1.46 111.336 -177.29 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -107.03 -164.12 0.96 Allowed 'General case' 0 C--N 1.3 -1.577 0 CA-C-N 113.875 -1.511 . . . . 3.36 107.175 171.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 77.8 mt -74.92 -31.15 61.46 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 112.525 0.565 . . . . 1.64 112.525 -174.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -88.47 61.25 6.04 Favored 'General case' 0 C--N 1.306 -1.309 0 CA-C-O 121.984 0.897 . . . . 2.47 110.395 178.371 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.661 ' HE3' ' O ' ' A' ' 25' ' ' ASP . 65.5 mmtt -137.6 156.55 47.94 Favored 'General case' 0 C--N 1.298 -1.652 0 CA-C-N 114.544 -1.207 . . . . 1.67 107.957 178.63 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.455 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 13.5 p -141.22 165.82 26.47 Favored 'General case' 0 C--N 1.286 -2.179 0 N-CA-C 107.809 -1.182 . . . . 1.72 107.809 -177.381 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.951 ' HB3' ' HG3' ' A' ' 43' ' ' MET . 97.0 m-85 -88.96 23.19 2.45 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 113.437 0.902 . . . . 1.03 113.437 -169.072 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.6 t -165.75 -53.98 0.03 OUTLIER 'General case' 0 C--N 1.309 -1.193 0 CA-C-N 115.773 -0.649 . . . . 1.85 110.911 173.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -63.41 -49.71 72.7 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 112.533 0.568 . . . . 2.31 112.533 -178.252 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.542 ' HB3' ' HD3' ' A' ' 30' ' ' LYS . 12.3 m-20 -97.83 2.39 49.3 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 113.688 0.995 . . . . 1.67 113.688 -179.084 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.4 HD13 HG11 ' A' ' 15' ' ' VAL . 68.3 mt -124.94 168.81 12.78 Favored 'General case' 0 C--N 1.309 -1.177 0 N-CA-C 112.935 0.717 . . . . 1.23 112.935 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.467 ' HB3' ' HB3' ' A' ' 19' ' ' ALA . 12.9 t70 -82.81 -13.48 56.15 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-N 114.659 -1.155 . . . . 2.15 109.131 -176.434 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.2 m -75.89 126.79 36.99 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.204 0 CA-C-N 115.105 -0.952 . . . . 2.86 110.977 -178.516 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -73.54 156.24 38.34 Favored 'General case' 0 C--N 1.283 -2.323 0 N-CA-C 106.237 -1.764 . . . . 2.96 106.237 171.544 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.403 ' HB2' H42A ' A' ' 101' ' ' SXO . 78.0 p -64.42 -48.81 73.98 Favored 'General case' 0 C--N 1.295 -1.766 0 C-N-CA 120.948 -0.301 . . . . 1.56 110.964 -174.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.3 mp -62.3 -23.23 66.62 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-O 121.152 0.501 . . . . 1.81 111.124 179.111 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.3 m -81.48 -33.79 31.73 Favored 'General case' 0 N--CA 1.439 -1.017 0 C-N-CA 123.356 0.662 . . . . 1.5 110.279 178.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.951 ' HG3' ' HB3' ' A' ' 32' ' ' PHE . 13.6 tmm? -61.28 -26.34 67.71 Favored 'General case' 0 C--O 1.223 -0.339 0 C-N-CA 123.604 0.762 . . . . 1.2 110.412 -179.718 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.457 ' HA ' HG12 ' A' ' 47' ' ' VAL . 23.9 t -56.63 -23.58 17.53 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.41 0 CA-C-N 116.241 -0.436 . . . . 1.3 111.269 178.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -82.57 -28.17 31.1 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 122.096 -0.377 . . . . 2.06 111.644 177.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.59 HG23 ' HB ' ' A' ' 14' ' ' ILE . 7.1 p -83.85 -36.34 12.14 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 C-N-CA 120.257 -0.577 . . . . 2.03 110.978 178.775 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.457 HG12 ' HA ' ' A' ' 44' ' ' VAL . 11.8 p -62.03 -42.32 94.45 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.791 0 C-N-CA 120.89 -0.324 . . . . 1.22 111.657 -179.59 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 13.0 p -69.51 -28.92 39.77 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.817 0 CA-C-O 121.298 0.57 . . . . 1.35 110.707 -179.397 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -80.57 -29.77 37.01 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.298 0.57 . . . . 1.09 110.462 -179.337 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.91 -30.43 71.42 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 116.063 -0.517 . . . . 1.07 111.563 -179.346 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -55.47 -55.94 25.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.674 0.273 . . . . 0.8 111.311 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.517 ' HG3' ' N ' ' A' ' 53' ' ' ARG . 5.0 pt-20 -67.06 -37.24 83.68 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.952 0.406 . . . . 0.96 111.23 -178.309 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.55 ' HA ' ' CZ ' ' A' ' 53' ' ' ARG . 3.0 mmp_? -72.82 -32.78 65.77 Favored 'General case' 0 N--CA 1.443 -0.791 0 N-CA-C 112.642 0.608 . . . . 4.41 112.642 -172.638 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -102.74 4.82 38.43 Favored 'General case' 0 C--N 1.308 -1.219 0 N-CA-C 112.113 0.412 . . . . 0.49 112.113 -179.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 38.7 t70 63.2 33.31 14.41 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-O 122.954 1.359 . . . . 1.95 109.879 176.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.576 HG11 HG22 ' A' ' 76' ' ' ILE . 7.6 p -126.96 177.68 5.33 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.116 0 CA-C-N 114.559 -1.201 . . . . 1.96 109.801 -172.746 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.469 ' H ' HG23 ' A' ' 56' ' ' VAL . 50.8 mtpt -121.77 141.5 51.14 Favored 'General case' 0 C--N 1.305 -1.365 0 N-CA-C 108.254 -1.017 . . . . 3.77 108.254 174.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.494 HD13 ' H8A' ' A' ' 101' ' ' SXO . 45.9 mt -133.09 88.39 36.64 Favored Pre-proline 0 C--N 1.288 -2.08 0 N-CA-C 108.414 -0.958 . . . . 1.24 108.414 176.394 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.518 ' O ' HG22 ' A' ' 63' ' ' VAL . 29.3 Cg_exo -65.25 151.34 85.69 Favored 'Trans proline' 0 C--O 1.238 0.509 0 C-N-CA 123.419 2.746 . . . . 0.79 111.471 179.756 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -50.88 -42.99 59.49 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.381 1.072 . . . . 2.3 111.92 -177.05 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -66.02 -41.68 90.67 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.086 -0.506 . . . . 2.38 110.596 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.521 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 11.4 m-20 -69.46 -29.72 67.47 Favored 'General case' 0 CA--C 1.499 -1.018 0 CA-C-N 116.016 -0.538 . . . . 1.52 112.258 -179.745 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.642 ' O ' ' H2 ' ' A' ' 101' ' ' SXO . 80.6 t -58.65 -60.61 2.09 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.909 0 N-CA-C 108.339 -0.985 . . . . 1.42 108.339 174.785 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -62.18 -13.75 30.6 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.4 1.08 . . . . 1.93 112.46 -176.173 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 12.3 t30 -85.66 -14.17 46.36 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-O 121.627 0.727 . . . . 2.65 110.972 179.016 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' A' ' 62' ' ' ASP . 67.4 mt -96.24 -174.61 3.12 Favored 'General case' 0 C--N 1.317 -0.848 0 N-CA-C 108.979 -0.749 . . . . 1.24 108.979 -178.755 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.2 ptpp? -163.61 -54.02 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.622 0.248 . . . . 3.26 111.175 179.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.455 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 52.5 p -104.4 -178.61 3.71 Favored 'General case' 0 N--CA 1.427 -1.583 0 N-CA-C 108.484 -0.932 . . . . 1.17 108.484 176.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.495 HG12 ' CZ ' ' A' ' 32' ' ' PHE . 25.4 m -79.49 -13.69 13.32 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.145 0 C-N-CA 120.227 -0.589 . . . . 1.35 109.416 176.003 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -74.73 -19.2 80.0 Favored Glycine 0 C--O 1.215 -1.038 0 N-CA-C 110.405 -1.078 . . . . 0.46 110.405 176.438 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -83.44 -47.02 11.83 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 108.569 -0.9 . . . . 1.62 108.569 175.107 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.507 ' HA ' HD11 ' A' ' 66' ' ' LEU . . . -62.87 -49.52 74.52 Favored 'General case' 0 CA--C 1.506 -0.714 0 CA-C-N 113.957 -1.474 . . . . 1.21 112.045 -173.433 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.674 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 2.1 p -48.56 -56.0 9.57 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.238 0.961 . . . . 1.16 112.631 -177.001 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 62.9 mmtt -54.58 -39.76 68.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.393 1.058 . . . . 4.01 111.262 -174.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 82.9 t80 -75.07 -47.13 30.32 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.255 -0.43 . . . . 1.09 110.404 -179.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.576 HG22 HG11 ' A' ' 56' ' ' VAL . 91.2 mt -58.95 -63.39 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.621 -0.718 . . . . 1.26 110.841 -178.708 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.674 ' HG ' ' O ' ' A' ' 73' ' ' THR . 2.7 pp -58.77 -22.44 58.06 Favored 'General case' 0 C--O 1.236 0.379 0 N-CA-C 113.646 0.98 . . . . 2.3 113.646 -173.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -83.12 -25.52 31.86 Favored 'General case' 0 C--N 1.306 -1.311 0 CA-C-N 116.041 -0.527 . . . . 1.32 111.396 -177.253 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 -100.38 -0.55 38.0 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 113.229 0.825 . . . . 3.57 113.229 -177.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.424 ' NE2' ' HA ' ' A' ' 77' ' ' LEU . 34.5 mt-30 -75.85 164.78 25.88 Favored 'General case' 0 C--O 1.248 0.98 0 N-CA-C 109.843 -0.429 . . . . 2.23 109.843 -178.672 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.241 0.639 0 O-C-N 124.382 1.051 . . . . 3.38 111.639 175.908 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' SXO . . . . . 0.642 ' H2 ' ' O ' ' A' ' 63' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.461 0.112 0 N-CA-C 110.136 -0.32 . . . . 2.71 110.136 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 179.62 142.34 0.14 Allowed 'General case' 0 CA--C 1.502 -0.902 0 N-CA-C 107.849 -1.167 . . . . 1.46 107.849 178.398 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.441 ' O ' HG12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -102.15 -170.5 1.82 Allowed 'General case' 0 C--N 1.3 -1.547 0 C-N-CA 119.974 -0.691 . . . . 2.11 109.527 178.706 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.536 ' HG3' HD21 ' A' ' 77' ' ' LEU . 55.5 mt-30 -62.02 -38.13 87.5 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 113.01 0.744 . . . . 2.34 113.01 -172.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -62.74 -50.75 69.85 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.772 0.32 . . . . 3.05 110.396 177.39 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -66.65 -36.16 81.89 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 115.828 -0.623 . . . . 2.53 110.601 -179.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.441 HG12 ' O ' ' A' ' 3' ' ' THR . 25.9 mm -64.42 -51.83 63.08 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.882 0 N-CA-C 109.046 -0.724 . . . . 1.16 109.046 179.316 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.516 ' HA ' HD12 ' A' ' 11' ' ' LEU . 89.9 t -63.41 -35.5 72.61 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.771 0 CA-C-N 116.238 -0.437 . . . . 1.22 111.22 179.345 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.43 -42.44 96.06 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-O 121.081 0.467 . . . . 1.24 110.034 176.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.27 -40.81 92.13 Favored Glycine 0 N--CA 1.435 -1.421 0 N-CA-C 110.728 -0.949 . . . . 0.38 110.728 179.183 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.516 HD12 ' HA ' ' A' ' 8' ' ' VAL . 92.5 mt -56.09 -52.68 63.44 Favored 'General case' 0 CA--C 1.51 -0.59 0 C-N-CA 122.931 0.493 . . . . 1.12 110.644 177.446 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.408 ' HB3' ' HB ' ' A' ' 26' ' ' VAL . . . -59.8 -29.99 68.61 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.509 -0.769 . . . . 1.1 112.711 -177.402 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -63.11 -44.9 94.37 Favored 'General case' 0 N--CA 1.421 -1.882 0 CA-C-O 120.825 0.345 . . . . 2.48 110.499 178.481 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.626 HG23 ' HB3' ' A' ' 49' ' ' ALA . 3.1 mp -79.14 -29.27 13.8 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.492 0 C-N-CA 118.796 -1.162 . . . . 1.14 109.925 178.465 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 11' ' ' LEU . 40.7 t -65.61 -27.78 42.46 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 CA-C-O 121.688 0.756 . . . . 1.11 109.728 177.038 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -70.62 -40.39 73.17 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 115.896 -0.593 . . . . 0.95 110.23 174.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -69.66 -44.55 70.31 Favored 'General case' 0 C--N 1.303 -1.428 0 CA-C-N 115.769 -0.65 . . . . 2.11 109.852 -179.639 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.504 HG13 ' HB ' ' A' ' 46' ' ' VAL . 41.6 mm -73.49 -53.67 17.44 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-N 115.939 -0.573 . . . . 1.33 112.039 -177.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.78 ' HB2' HG22 ' A' ' 38' ' ' VAL . . . -108.5 -48.53 3.31 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-O 121.066 0.46 . . . . 1.22 111.766 -174.823 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 106.19 62.25 0.61 Allowed Glycine 0 C--N 1.302 -1.317 0 C-N-CA 119.633 -1.27 . . . . 0.93 113.209 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 2.1 pp -104.94 158.46 31.99 Favored Pre-proline 0 C--N 1.301 -1.523 0 N-CA-C 109.163 -0.68 . . . . 1.31 109.163 173.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.454 ' C ' ' H ' ' A' ' 24' ' ' GLU . 24.0 Cg_exo -66.24 142.42 66.78 Favored 'Trans proline' 0 N--CA 1.445 -1.326 0 C-N-CA 121.612 1.541 . . . . 0.86 108.689 173.161 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.7 p -84.64 32.26 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.304 -1.411 0 CA-C-O 123.134 1.445 . . . . 2.05 110.26 -176.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.454 ' H ' ' C ' ' A' ' 22' ' ' PRO . 11.8 pt-20 -138.88 10.21 2.62 Favored 'General case' 0 C--N 1.302 -1.477 0 CA-C-N 113.86 -1.518 . . . . 2.03 108.079 178.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -100.52 -38.44 8.38 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.25 -0.886 . . . . 1.07 110.928 -178.213 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.408 ' HB ' ' HB3' ' A' ' 12' ' ' ALA . 20.1 t -82.39 91.98 2.4 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.396 0 CA-C-N 115.003 -0.999 . . . . 1.46 110.685 -173.455 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.534 ' H ' ' HG3' ' A' ' 30' ' ' LYS . 96.2 mttt -103.0 -178.27 3.61 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 108.184 -1.043 . . . . 3.36 108.184 173.549 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.427 HD11 ' HB3' ' A' ' 4' ' ' GLN . 4.6 mm? -65.02 -28.1 69.27 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 114.376 1.25 . . . . 1.64 114.376 -175.735 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -88.39 15.96 7.07 Favored 'General case' 0 N--CA 1.486 1.328 0 N-CA-C 112.147 0.425 . . . . 2.47 112.147 -178.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.534 ' HG3' ' H ' ' A' ' 27' ' ' LYS . 28.5 mmmt -100.76 134.57 43.53 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 108.899 -0.778 . . . . 1.67 108.899 179.727 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.58 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 0.7 OUTLIER -109.65 151.09 27.32 Favored 'General case' 0 C--N 1.291 -1.956 0 N-CA-C 107.246 -1.391 . . . . 1.72 107.246 176.03 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.53 ' HA ' HD11 ' A' ' 36' ' ' LEU . 98.5 m-85 -54.88 -48.0 73.53 Favored 'General case' 0 C--N 1.311 -1.066 0 N-CA-C 114.557 1.317 . . . . 1.03 114.557 -172.029 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.0 t -121.77 23.1 10.28 Favored 'General case' 0 C--N 1.297 -1.702 0 C-N-CA 118.448 -1.301 . . . . 1.85 110.577 -178.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.486 ' HB2' ' HB2' ' A' ' 31' ' ' SER . 10.2 m-20 -115.2 -36.41 4.38 Favored 'General case' 0 C--N 1.307 -1.276 0 N-CA-C 108.856 -0.794 . . . . 2.31 108.856 176.258 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -123.28 -27.61 4.11 Favored 'General case' 0 CA--C 1.494 -1.185 0 CA-C-N 115.643 -0.708 . . . . 1.67 110.891 -176.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.53 HD11 ' HA ' ' A' ' 32' ' ' PHE . 71.3 mt -88.34 147.96 24.51 Favored 'General case' 0 N--CA 1.429 -1.524 0 CA-C-O 121.436 0.636 . . . . 1.23 112.069 -176.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -96.75 70.69 2.54 Favored 'General case' 0 C--N 1.284 -2.254 0 CA-C-O 123.08 1.419 . . . . 2.15 110.354 -178.106 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.78 HG22 ' HB2' ' A' ' 19' ' ' ALA . 12.9 p -127.67 171.4 16.01 Favored 'Isoleucine or valine' 0 C--N 1.267 -3.018 0 N-CA-C 105.041 -2.207 . . . . 2.86 105.041 173.118 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -69.91 -84.62 0.03 OUTLIER 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 109.003 -0.74 . . . . 2.96 109.003 172.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 68.1 p 156.89 -47.73 0.0 OUTLIER 'General case' 0 C--O 1.212 -0.873 0 C-N-CA 127.089 2.155 . . . . 1.56 108.386 173.319 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.4 mp -69.33 -25.68 64.33 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 107.234 -1.395 . . . . 1.81 107.234 177.401 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 34.0 t -81.56 -14.89 56.29 Favored 'General case' 0 CA--C 1.562 1.406 0 CA-C-N 113.959 -1.473 . . . . 1.5 110.819 175.051 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.493 ' CE ' ' H3 ' ' A' ' 101' ' ' SXO . 7.8 tmm? -73.06 -23.01 60.51 Favored 'General case' 0 N--CA 1.484 1.234 0 N-CA-C 108.004 -1.11 . . . . 1.2 108.004 -179.395 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.494 ' HA ' HG13 ' A' ' 47' ' ' VAL . 27.7 t -61.77 -22.7 29.05 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.718 0 CA-C-O 121.671 0.748 . . . . 1.3 109.904 176.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -76.85 -30.73 56.43 Favored 'General case' 0 CA--C 1.555 1.15 0 CA-C-N 115.595 -0.73 . . . . 2.06 110.575 176.49 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.543 HG22 ' CG2' ' A' ' 14' ' ' ILE . 7.2 p -81.27 -40.11 17.94 Favored 'Isoleucine or valine' 0 C--N 1.343 0.32 0 O-C-N 121.903 -0.498 . . . . 2.03 111.255 179.422 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.494 HG13 ' HA ' ' A' ' 44' ' ' VAL . 10.2 p -60.76 -37.33 75.85 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.98 0 C-N-CA 120.579 -0.449 . . . . 1.22 112.024 -179.59 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 13.4 p -70.55 -26.59 28.9 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.748 0 CA-C-O 121.458 0.647 . . . . 1.35 110.71 179.256 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.626 ' HB3' HG23 ' A' ' 14' ' ' ILE . . . -82.82 -26.22 31.93 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.522 0.677 . . . . 1.09 109.356 177.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.78 -34.24 77.4 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 115.888 -0.596 . . . . 1.07 110.806 178.17 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -52.95 -56.91 12.46 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.134 -0.484 . . . . 0.8 111.837 179.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.556 ' HG3' ' N ' ' A' ' 53' ' ' ARG . 5.4 pt-20 -62.42 -38.7 90.73 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 121.003 0.43 . . . . 0.96 111.43 -179.766 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.556 ' N ' ' HG3' ' A' ' 52' ' ' GLU . 4.2 mmp_? -70.19 -41.12 74.14 Favored 'General case' 0 N--CA 1.441 -0.879 0 CA-C-N 116.003 -0.544 . . . . 4.41 112.303 -172.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -94.14 2.86 55.91 Favored 'General case' 0 CA--C 1.5 -0.952 0 C-N-CA 120.488 -0.485 . . . . 0.49 111.728 -178.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 33.4 t70 65.51 33.81 8.41 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-O 122.311 1.053 . . . . 1.95 109.975 175.251 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 16.8 m -114.93 -172.78 0.58 Allowed 'Isoleucine or valine' 0 C--O 1.242 0.687 0 CA-C-N 115.005 -0.998 . . . . 1.96 111.488 -178.286 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 32.3 mtmm -138.53 129.37 26.63 Favored 'General case' 0 C--N 1.315 -0.928 0 N-CA-C 105.294 -2.113 . . . . 3.77 105.294 176.523 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.466 HG12 ' HE2' ' A' ' 75' ' ' TYR . 23.8 mt -131.42 109.64 14.89 Favored Pre-proline 0 C--N 1.304 -1.41 0 N-CA-C 109.529 -0.545 . . . . 1.24 109.529 -179.079 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.551 ' O ' HG23 ' A' ' 63' ' ' VAL . 20.8 Cg_exo -65.83 141.22 64.38 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 123.328 2.685 . . . . 0.79 111.216 -179.192 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -48.6 -46.56 39.61 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 124.277 1.031 . . . . 2.3 112.365 -176.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -69.31 -35.3 75.83 Favored 'General case' 0 CA--C 1.494 -1.187 0 CA-C-N 115.75 -0.659 . . . . 2.38 111.314 -177.511 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -80.32 -26.22 38.89 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-N 116.085 -0.507 . . . . 1.52 110.053 -175.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 59' ' ' PRO . 79.1 t -55.63 -62.53 0.78 Allowed 'Isoleucine or valine' 0 C--O 1.213 -0.838 0 N-CA-C 107.734 -1.209 . . . . 1.42 107.734 171.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -65.51 -2.81 3.66 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.872 -1.058 . . . . 1.93 113.534 -174.596 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -86.98 -19.24 29.02 Favored 'General case' 0 C--N 1.31 -1.133 0 N-CA-C 109.611 -0.514 . . . . 2.65 109.611 178.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.564 HD11 ' HA ' ' A' ' 72' ' ' ALA . 80.5 mt -83.05 179.55 7.72 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.814 -0.63 . . . . 1.24 110.602 -178.055 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.543 ' HA ' ' S1 ' ' A' ' 101' ' ' SXO . 14.3 ptmm? -148.83 -53.49 0.18 Allowed 'General case' 0 CA--C 1.555 1.139 0 N-CA-C 113.492 0.923 . . . . 3.26 113.492 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.58 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 58.1 p -101.56 175.8 5.44 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 121.506 -0.746 . . . . 1.17 109.242 -178.359 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 25.0 m -77.39 -22.65 14.32 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.767 0 C-N-CA 119.186 -1.005 . . . . 1.35 108.949 174.202 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -70.64 -43.19 60.92 Favored Glycine 0 N--CA 1.444 -0.77 0 N-CA-C 109.957 -1.257 . . . . 0.46 109.957 177.122 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.425 ' OD2' ' HA ' ' A' ' 66' ' ' LEU . 30.9 t70 -67.0 -29.63 69.51 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.678 0.752 . . . . 1.62 109.519 179.013 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.564 ' HA ' HD11 ' A' ' 66' ' ' LEU . . . -77.12 -43.33 34.5 Favored 'General case' 0 N--CA 1.441 -0.918 0 CA-C-N 115.096 -0.956 . . . . 1.21 110.412 179.033 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 37.0 p -60.66 -27.99 68.24 Favored 'General case' 0 N--CA 1.441 -0.917 0 N-CA-C 112.73 0.641 . . . . 1.16 112.73 179.279 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -62.12 -50.23 72.74 Favored 'General case' 0 C--O 1.216 -0.684 0 O-C-N 123.668 0.605 . . . . 4.01 109.496 177.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.466 ' HE2' HG12 ' A' ' 58' ' ' ILE . 84.2 t80 -54.97 -44.29 74.27 Favored 'General case' 0 C--O 1.246 0.912 0 CA-C-O 121.329 0.585 . . . . 1.09 111.016 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 62.5 mt -71.84 -66.65 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.46 0 CA-C-N 114.804 -1.089 . . . . 1.26 109.639 -177.173 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.536 HD21 ' HG3' ' A' ' 4' ' ' GLN . 50.1 tp -53.3 -34.12 56.06 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.933 1.293 . . . . 2.3 113.502 -175.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -67.18 -36.25 81.37 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-O 120.935 0.398 . . . . 1.32 111.771 -179.336 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 56.2 m80 -103.31 -60.78 1.5 Allowed 'General case' 0 C--N 1.312 -1.04 0 CA-C-O 121.215 0.531 . . . . 3.57 111.018 -176.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 50.04 -161.82 0.06 Allowed 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 126.034 1.734 . . . . 2.23 112.251 -176.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.412 -2.334 0 N-CA-C 106.901 -1.518 . . . . 3.38 106.901 175.304 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' SXO . . . . . 0.543 ' S1 ' ' HA ' ' A' ' 67' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ALA . . . . . 0.55 ' HB3' HD13 ' A' ' 7' ' ' ILE . . . . . . . . 0 N--CA 1.445 -0.695 0 N-CA-C 108.135 -1.061 . . . . 1.12 108.135 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.631 ' O ' HG12 ' A' ' 7' ' ' ILE . 1.0 OUTLIER -93.85 -168.98 1.99 Allowed 'General case' 0 C--O 1.206 -1.185 0 N-CA-C 108.748 -0.834 . . . . 1.57 108.748 177.707 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.456 ' H ' HG22 ' A' ' 3' ' ' THR . 13.1 pt20 -58.46 -43.15 88.78 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 119.665 1.12 . . . . 1.76 113.801 -170.444 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.448 ' HG2' ' HG3' ' A' ' 6' ' ' GLU . 2.9 pm0 -74.51 -35.13 63.19 Favored 'General case' 0 N--CA 1.439 -1.005 0 CA-C-O 121.728 0.775 . . . . 3.05 109.422 -178.101 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.528 ' CB ' ' HB1' ' A' ' 2' ' ' ALA . 41.4 mt-10 -74.72 -32.34 62.11 Favored 'General case' 0 N--CA 1.431 -1.404 0 CA-C-N 114.743 -1.117 . . . . 2.53 110.593 -176.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.631 HG12 ' O ' ' A' ' 3' ' ' THR . 42.8 mm -61.16 -54.8 30.3 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.523 0 N-CA-C 107.21 -1.404 . . . . 0.45 107.21 174.77 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.553 ' HA ' HD12 ' A' ' 11' ' ' LEU . 88.2 t -53.88 -48.78 62.21 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 CA-C-N 115.199 -0.91 . . . . 0.57 110.562 178.373 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.95 -42.68 85.47 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.227 -0.442 . . . . 0.48 111.4 177.757 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.83 -41.41 95.61 Favored Glycine 0 C--O 1.222 -0.62 0 N-CA-C 110.875 -0.89 . . . . 0.37 110.875 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.553 HD12 ' HA ' ' A' ' 8' ' ' VAL . 94.4 mt -56.46 -48.85 76.21 Favored 'General case' 0 C--O 1.239 0.512 0 C-N-CA 123.279 0.631 . . . . 0.33 110.296 177.318 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.1 -28.17 68.9 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.248 -0.887 . . . . 0.28 113.227 -176.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -59.06 -45.53 90.54 Favored 'General case' 0 C--O 1.237 0.411 0 N-CA-C 109.63 -0.507 . . . . 2.48 109.63 177.326 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.592 HG21 ' HA ' ' A' ' 46' ' ' VAL . 3.6 mp -75.01 -42.27 45.66 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.279 0 CA-C-N 115.862 -0.608 . . . . 0.44 109.839 179.185 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.655 HG11 HD13 ' A' ' 36' ' ' LEU . 21.6 t -62.53 -27.02 42.02 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.198 0 CA-C-O 121.979 0.895 . . . . 0.34 111.234 -178.706 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.423 ' HA ' ' H ' ' A' ' 21' ' ' ILE . 21.8 t-20 -69.72 -39.53 76.78 Favored 'General case' 0 C--N 1.32 -0.702 0 O-C-N 121.748 -0.595 . . . . 0.95 111.196 176.585 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -80.71 -26.95 37.13 Favored 'General case' 0 C--N 1.315 -0.915 0 C-N-CA 119.657 -0.817 . . . . 2.11 111.509 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.408 HG12 ' O ' ' A' ' 14' ' ' ILE . 47.3 mm -81.15 -55.18 8.64 Favored 'Isoleucine or valine' 0 C--O 1.244 0.767 0 C-N-CA 120.62 -0.432 . . . . 0.71 110.92 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.495 ' HB1' ' HB3' ' A' ' 37' ' ' ASP . . . -104.27 -53.88 2.64 Favored 'General case' 0 C--N 1.303 -1.45 0 CA-C-O 121.036 0.446 . . . . 0.68 111.203 -177.525 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 114.17 71.96 0.55 Allowed Glycine 0 N--CA 1.434 -1.478 0 C-N-CA 119.744 -1.217 . . . . 0.93 111.964 -178.559 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.423 ' H ' ' HA ' ' A' ' 16' ' ' ASN . 2.2 pp -113.89 151.03 44.4 Favored Pre-proline 0 C--N 1.294 -1.837 0 N-CA-C 109.725 -0.472 . . . . 0.6 109.725 176.449 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.419 ' C ' ' H ' ' A' ' 24' ' ' GLU . 17.4 Cg_exo -67.06 132.26 27.52 Favored 'Trans proline' 0 N--CA 1.449 -1.134 0 C-N-CA 121.782 1.655 . . . . 0.75 110.05 176.61 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.6 m -80.47 28.33 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.31 -1.115 0 CA-C-O 122.439 1.114 . . . . 1.48 112.876 -178.051 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.419 ' H ' ' C ' ' A' ' 22' ' ' PRO . 11.8 pt-20 -131.78 -3.95 3.65 Favored 'General case' 0 C--N 1.297 -1.705 0 CA-C-N 113.789 -1.551 . . . . 2.03 107.728 176.596 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.671 ' O ' ' HE3' ' A' ' 30' ' ' LYS . 18.2 t70 -94.11 -48.54 6.17 Favored 'General case' 0 CA--C 1.493 -1.215 0 CA-C-N 115.007 -0.997 . . . . 1.07 109.624 -174.301 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.484 ' HA ' ' HG3' ' A' ' 30' ' ' LYS . 35.0 t -71.04 94.91 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.076 0 CA-C-N 114.49 -1.232 . . . . 0.73 109.779 -177.106 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -113.62 -164.85 0.95 Allowed 'General case' 0 C--N 1.3 -1.548 0 CA-C-N 114.442 -1.253 . . . . 2.83 107.688 177.01 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.475 HD13 HG21 ' A' ' 8' ' ' VAL . 4.0 mm? -68.64 -33.33 73.83 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 113.087 0.773 . . . . 1.07 113.087 -177.539 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -88.35 63.92 7.33 Favored 'General case' 0 C--O 1.247 0.93 0 CA-C-O 122.718 1.247 . . . . 2.47 110.64 179.487 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.671 ' HE3' ' O ' ' A' ' 25' ' ' ASP . 67.2 mmtt -142.34 164.97 28.7 Favored 'General case' 0 C--N 1.309 -1.153 0 CA-C-N 113.938 -1.483 . . . . 1.06 109.775 -178.891 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.523 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 41.0 t -144.92 161.76 38.53 Favored 'General case' 0 C--N 1.296 -1.746 0 N-CA-C 105.304 -2.11 . . . . 1.31 105.304 175.208 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.415 ' O ' ' HB2' ' A' ' 36' ' ' LEU . 80.0 m-85 -81.54 -66.35 0.9 Allowed 'General case' 0 CA--C 1.49 -1.334 0 CA-C-O 121.331 0.586 . . . . 1.03 111.066 -168.158 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 27.9 p -92.45 36.1 1.01 Allowed 'General case' 0 C--N 1.268 -2.935 0 C-N-CA 119.369 -0.933 . . . . 1.37 112.175 -177.711 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.521 ' HB2' ' HB3' ' A' ' 31' ' ' SER . 6.8 m-20 -140.89 -50.89 0.45 Allowed 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.437 -0.801 . . . . 2.31 109.162 -179.319 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -110.32 6.06 22.12 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.874 -0.603 . . . . 1.67 110.91 -173.365 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.655 HD13 HG11 ' A' ' 15' ' ' VAL . 64.4 mt -112.42 -166.26 1.06 Allowed 'General case' 0 CA--C 1.504 -0.79 0 N-CA-C 108.494 -0.928 . . . . 0.69 108.494 177.737 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.495 ' HB3' ' HB1' ' A' ' 19' ' ' ALA . 19.4 t70 -74.84 -8.02 55.19 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.48 0.657 . . . . 2.15 110.393 -178.373 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 57.8 t 65.82 75.92 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.448 -0.569 0 CA-C-O 122.929 1.347 . . . . 2.23 110.876 177.267 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.75 -30.32 70.71 Favored 'General case' 0 C--N 1.303 -1.441 0 CA-C-N 113.204 -1.817 . . . . 2.96 109.256 178.065 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.55 ' OG ' HD22 ' A' ' 41' ' ' LEU . 28.8 t 56.13 -102.61 0.16 Allowed 'General case' 0 N--CA 1.44 -0.96 0 C-N-CA 125.543 1.537 . . . . 1.19 112.081 -178.786 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.55 HD22 ' OG ' ' A' ' 40' ' ' SER . 3.1 mm? -72.68 -29.15 63.17 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-O 121.748 0.785 . . . . 1.34 110.037 -177.605 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 25.6 m -73.85 -13.02 60.86 Favored 'General case' 0 C--N 1.306 -1.312 0 CA-C-N 115.302 -0.863 . . . . 1.26 111.027 179.435 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.4 ' O ' ' HB ' ' A' ' 46' ' ' VAL . 20.2 ttp -67.81 -21.47 65.22 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-O 121.262 0.553 . . . . 0.97 109.554 179.529 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.53 ' HA ' HG12 ' A' ' 47' ' ' VAL . 41.7 t -65.84 -26.04 37.71 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.78 0 N-CA-C 109.387 -0.598 . . . . 0.65 109.387 176.689 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -76.12 -26.56 56.49 Favored 'General case' 0 N--CA 1.463 0.177 0 N-CA-C 108.739 -0.838 . . . . 2.06 108.739 177.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.592 ' HA ' HG21 ' A' ' 14' ' ' ILE . 76.0 t -71.26 -60.95 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 115.106 -0.952 . . . . 1.43 108.765 177.118 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.587 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 10.1 p -55.29 -43.27 70.39 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 N-CA-C 113.08 0.77 . . . . 0.53 113.08 -176.494 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 14.8 p -61.5 -34.46 61.62 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.845 0 CA-C-O 121.463 0.649 . . . . 0.65 111.012 -178.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.665 ' O ' ' HG2' ' A' ' 53' ' ' ARG . . . -78.02 -33.36 51.19 Favored 'General case' 0 N--CA 1.439 -0.994 0 N-CA-C 109.634 -0.506 . . . . 0.32 109.634 178.364 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.83 -33.74 75.37 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 116.013 -0.54 . . . . 0.36 111.841 -178.8 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.587 ' HG3' ' O ' ' A' ' 47' ' ' VAL . 41.5 mt-10 -53.89 -53.56 50.88 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 123.48 0.487 . . . . 0.78 110.558 178.492 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.574 ' HG3' ' HE ' ' A' ' 53' ' ' ARG . 12.8 pt-20 -69.83 -32.28 70.6 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 116.272 -0.422 . . . . 0.96 111.412 -178.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.665 ' HG2' ' O ' ' A' ' 49' ' ' ALA . 6.7 mmp_? -63.75 -44.39 93.66 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.874 0.369 . . . . 3.85 111.079 -178.165 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -101.77 8.93 41.26 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 112.683 0.623 . . . . 0.4 112.683 -174.008 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 65.24 36.65 6.93 Favored 'General case' 0 N--CA 1.478 0.928 0 O-C-N 123.608 0.567 . . . . 1.95 111.803 177.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.517 HG23 ' HA ' ' A' ' 51' ' ' GLU . 21.4 m -119.89 -176.96 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.253 0 CA-C-N 116.194 -0.457 . . . . 1.37 110.553 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.445 ' HA ' ' HD2' ' A' ' 57' ' ' LYS . 23.5 tptp -149.66 105.79 3.48 Favored 'General case' 0 C--N 1.294 -1.805 0 N-CA-C 106.168 -1.79 . . . . 3.34 106.168 175.127 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 61.9 mt -104.9 110.65 64.76 Favored Pre-proline 0 C--N 1.286 -2.194 0 N-CA-C 109.926 -0.398 . . . . 0.57 109.926 -171.409 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.507 ' O ' HG23 ' A' ' 63' ' ' VAL . 35.5 Cg_exo -63.16 148.5 93.12 Favored 'Trans proline' 0 C--O 1.242 0.681 0 C-N-CA 122.791 2.327 . . . . 0.63 111.049 178.053 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -55.77 -31.42 62.58 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 124.775 1.23 . . . . 2.3 110.059 -177.047 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -61.96 -57.1 12.98 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 114.254 -1.339 . . . . 2.38 109.865 178.176 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.49 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 8.1 m-20 -62.2 -32.9 73.6 Favored 'General case' 0 CA--C 1.495 -1.156 0 CA-C-N 115.635 -0.711 . . . . 1.52 112.702 -177.155 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 59' ' ' PRO . 34.6 t -54.7 -51.2 53.71 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.714 0 O-C-N 123.603 0.564 . . . . 0.79 110.085 179.752 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 35.9 mtmm -82.08 -6.41 59.14 Favored 'General case' 0 C--N 1.322 -0.628 0 O-C-N 122.137 -0.352 . . . . 1.24 111.819 -178.293 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -94.44 -7.42 41.51 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.962 0.411 . . . . 2.07 111.026 179.104 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.566 HD13 ' HA ' ' A' ' 72' ' ' ALA . 98.4 mt -96.96 163.45 12.95 Favored 'General case' 0 C--N 1.308 -1.236 0 N-CA-C 108.276 -1.009 . . . . 0.6 108.276 176.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.2 pttp -122.69 -83.2 0.66 Allowed 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 114.755 1.391 . . . . 2.69 114.755 -176.143 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.482 HG22 ' HB2' ' A' ' 31' ' ' SER . 77.3 p -88.01 -177.0 5.65 Favored 'General case' 0 C--N 1.304 -1.407 0 C-N-CA 120.415 -0.514 . . . . 0.46 110.132 -175.855 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.6 m -81.87 -20.43 10.5 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.065 0 N-CA-C 109.015 -0.735 . . . . 0.66 109.015 176.618 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -79.21 -25.48 59.38 Favored Glycine 0 N--CA 1.44 -1.092 0 N-CA-C 109.375 -1.49 . . . . 0.46 109.375 176.246 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -83.11 -43.19 16.52 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 114.715 -0.742 . . . . 1.62 110.709 176.633 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.566 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -65.64 -37.65 87.15 Favored 'General case' 0 CA--C 1.503 -0.85 0 CA-C-N 115.836 -0.62 . . . . 0.51 111.173 -176.538 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.647 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 2.9 p -57.22 -34.16 68.27 Favored 'General case' 0 N--CA 1.432 -1.372 0 CA-C-N 115.735 -0.666 . . . . 0.46 112.277 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 49.4 tptt -53.56 -46.46 70.27 Favored 'General case' 0 C--O 1.224 -0.281 0 O-C-N 123.792 0.683 . . . . 3.54 111.342 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -72.5 -43.72 63.24 Favored 'General case' 0 C--N 1.309 -1.195 0 CA-C-O 121.108 0.48 . . . . 0.83 110.375 -178.728 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 70.7 mt -65.23 -65.33 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 CA-C-N 115.278 -0.874 . . . . 0.65 111.715 -175.818 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.647 ' HG ' ' O ' ' A' ' 73' ' ' THR . 4.2 pp -59.95 -22.08 62.01 Favored 'General case' 0 CA--C 1.516 -0.346 0 N-CA-C 113.071 0.767 . . . . 1.74 113.071 -173.594 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 18.6 t70 . . . . . 0 C--N 1.308 -1.229 0 CA-C-N 116.133 -0.485 . . . . 1.32 111.628 -179.858 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ALA . . . . . 0.512 ' HB3' HD13 ' A' ' 7' ' ' ILE . . . . . . . . 0 CA--C 1.502 -0.903 0 N-CA-C 107.585 -1.265 . . . . 1.12 107.585 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.461 HG22 ' H ' ' A' ' 4' ' ' GLN . 7.6 m -90.21 168.72 11.72 Favored 'General case' 0 C--N 1.289 -2.063 0 C-N-CA 119.667 -0.813 . . . . 1.57 109.417 178.754 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.472 ' HG2' HD21 ' A' ' 28' ' ' LEU . 29.9 tt0 -44.26 -50.05 9.07 Favored 'General case' 0 CA--C 1.551 1.002 0 N-CA-C 115.944 1.831 . . . . 1.76 115.944 -169.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -64.0 -48.38 76.6 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 109.255 -0.646 . . . . 3.05 109.255 179.689 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -64.95 -30.23 71.21 Favored 'General case' 0 C--O 1.222 -0.347 0 CA-C-N 115.932 -0.577 . . . . 2.53 111.47 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.512 HD13 ' HB3' ' A' ' 2' ' ' ALA . 31.5 mm -59.5 -53.32 49.83 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 N-CA-C 108.733 -0.84 . . . . 0.45 108.733 175.199 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.57 HG21 HD22 ' A' ' 28' ' ' LEU . 80.0 t -59.89 -47.1 92.83 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 CA-C-N 116.373 -0.376 . . . . 0.57 110.138 178.675 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.98 -41.37 74.69 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.967 -0.56 . . . . 0.48 111.142 178.579 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.27 -46.19 80.9 Favored Glycine 0 N--CA 1.435 -1.368 0 N-CA-C 110.39 -1.084 . . . . 0.37 110.39 178.623 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.532 HD12 ' HA ' ' A' ' 8' ' ' VAL . 94.3 mt -54.13 -48.51 70.71 Favored 'General case' 0 CA--C 1.514 -0.426 0 C-N-CA 123.725 0.81 . . . . 0.33 110.27 177.874 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.407 ' HA ' ' HB ' ' A' ' 15' ' ' VAL . . . -58.61 -27.92 65.12 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.119 -0.946 . . . . 0.28 113.416 -177.44 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -68.25 -44.32 75.91 Favored 'General case' 0 C--O 1.245 0.826 0 C-N-CA 119.645 -0.822 . . . . 2.48 110.546 178.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.727 ' HB ' HG23 ' A' ' 46' ' ' VAL . 3.6 mp -75.86 -33.19 25.09 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.885 0 N-CA-C 108.347 -0.983 . . . . 0.44 108.347 178.56 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.529 HG12 HG13 ' A' ' 21' ' ' ILE . 96.3 t -65.78 -28.95 45.45 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.201 0 CA-C-O 121.504 0.668 . . . . 0.34 110.763 177.005 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.402 ' O ' ' HA2' ' A' ' 20' ' ' GLY . 26.2 t-20 -72.1 -33.28 67.73 Favored 'General case' 0 C--O 1.212 -0.921 0 CA-C-O 121.209 0.528 . . . . 0.95 109.86 174.242 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -70.31 -51.23 31.79 Favored 'General case' 0 C--N 1.307 -1.24 0 N-CA-C 109.434 -0.58 . . . . 2.11 109.434 177.197 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.587 HG13 ' HB ' ' A' ' 46' ' ' VAL . 49.7 mm -70.35 -53.67 21.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.616 -0.72 . . . . 0.71 111.829 -177.254 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -102.89 -50.91 3.4 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-O 120.972 0.415 . . . . 0.68 111.245 -174.566 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.402 ' HA2' ' O ' ' A' ' 16' ' ' ASN . . . 107.12 41.54 1.65 Allowed Glycine 0 C--N 1.308 -1.009 0 C-N-CA 119.818 -1.182 . . . . 0.93 113.277 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.529 HG13 HG12 ' A' ' 15' ' ' VAL . 2.2 pp -91.2 158.67 40.94 Favored Pre-proline 0 C--N 1.308 -1.224 0 O-C-N 122.673 -0.31 . . . . 0.6 111.446 178.653 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -69.26 124.77 11.63 Favored 'Trans proline' 0 N--CA 1.446 -1.323 0 C-N-CA 121.938 1.759 . . . . 0.75 109.282 173.248 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 10.6 p -54.25 -30.5 20.82 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.076 0 C-N-CA 124.042 0.937 . . . . 1.48 112.343 -178.81 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -88.96 -4.74 58.35 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 111.951 0.352 . . . . 2.03 111.951 -178.063 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -84.94 -46.29 11.39 Favored 'General case' 0 CA--C 1.502 -0.879 0 C-N-CA 120.426 -0.51 . . . . 1.07 109.676 -178.787 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 1.094 ' HB ' HD21 ' A' ' 36' ' ' LEU . 1.9 p -80.45 101.54 5.58 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.581 0 CA-C-O 122.138 0.97 . . . . 0.73 111.127 178.27 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 64.7 mttm -118.0 -165.43 1.1 Allowed 'General case' 0 C--N 1.294 -1.819 0 CA-C-N 113.86 -1.518 . . . . 2.83 107.725 175.683 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.57 HD22 HG21 ' A' ' 8' ' ' VAL . 4.0 mm? -55.74 -26.43 45.48 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 115.06 1.504 . . . . 1.07 115.06 -178.074 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -93.16 64.23 3.78 Favored 'General case' 0 C--N 1.31 -1.151 0 C-N-CA 120.536 -0.466 . . . . 2.47 110.233 178.599 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.75 ' HG3' ' HA ' ' A' ' 26' ' ' VAL . 35.0 mmtm -144.46 160.68 40.68 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.118 -0.946 . . . . 1.06 111.885 178.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.472 ' H ' ' HB3' ' A' ' 35' ' ' ASP . 30.3 t -140.59 149.94 42.99 Favored 'General case' 0 C--N 1.285 -2.235 0 N-CA-C 104.334 -2.469 . . . . 1.31 104.334 172.3 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.5 ' HA ' HD12 ' A' ' 36' ' ' LEU . 97.5 m-85 -66.98 -46.34 74.88 Favored 'General case' 0 C--N 1.297 -1.684 0 N-CA-C 114.02 1.118 . . . . 1.03 114.02 -165.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.873 HG21 ' HB3' ' A' ' 40' ' ' SER . 10.1 t -120.12 18.98 12.32 Favored 'General case' 0 C--N 1.278 -2.535 0 C-N-CA 118.861 -1.136 . . . . 1.37 110.456 -179.56 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -121.26 -43.28 2.43 Favored 'General case' 0 C--N 1.3 -1.553 0 CA-C-N 115.22 -0.9 . . . . 2.31 111.56 -179.356 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.472 ' HB3' ' H ' ' A' ' 31' ' ' SER . 3.9 t70 -104.67 -23.55 13.07 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 108.094 -1.076 . . . . 1.67 108.094 179.168 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 1.094 HD21 ' HB ' ' A' ' 26' ' ' VAL . 39.2 mt -97.7 179.63 4.76 Favored 'General case' 0 CA--C 1.51 -0.586 0 CA-C-N 115.433 -0.803 . . . . 0.69 110.247 178.448 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -108.37 23.21 14.86 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-O 121.622 0.725 . . . . 2.15 110.033 -177.774 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.45 HG23 ' HB3' ' A' ' 36' ' ' LEU . 23.4 t -88.49 128.84 40.47 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.718 0 N-CA-C 107.441 -1.318 . . . . 2.23 107.441 -179.296 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.467 ' HB2' ' HB2' ' A' ' 42' ' ' SER . 37.4 m-20 -69.94 144.41 52.39 Favored 'General case' 0 C--N 1.293 -1.855 0 N-CA-C 108.079 -1.082 . . . . 2.96 108.079 175.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.873 ' HB3' HG21 ' A' ' 33' ' ' THR . 46.8 p -67.58 -39.02 84.87 Favored 'General case' 0 C--N 1.295 -1.761 0 CA-C-O 121.438 0.637 . . . . 1.19 111.538 -177.219 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.7 mp -71.17 -15.78 62.5 Favored 'General case' 0 C--N 1.307 -1.279 0 CA-C-O 121.595 0.712 . . . . 1.34 109.854 177.662 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.467 ' HB2' ' HB2' ' A' ' 39' ' ' ASP . 47.4 t -85.28 -39.35 17.83 Favored 'General case' 0 CA--C 1.554 1.121 0 C-N-CA 124.456 1.102 . . . . 1.26 111.439 179.733 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.4 ' HG2' ' O ' ' A' ' 43' ' ' MET . 30.2 ttp -57.89 -22.84 50.4 Favored 'General case' 0 N--CA 1.496 1.834 0 CA-C-O 121.173 0.511 . . . . 0.97 111.955 -176.406 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 61.9 t -51.41 -36.27 17.33 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.693 0 C-N-CA 123.866 0.866 . . . . 0.65 111.331 179.181 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -72.52 -42.46 64.77 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.879 0.371 . . . . 2.06 111.596 178.674 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.727 HG23 ' HB ' ' A' ' 14' ' ' ILE . 5.2 p -74.11 -31.15 28.92 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.523 0 O-C-N 121.807 -0.558 . . . . 1.43 112.275 -178.381 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 13.4 p -67.87 -33.3 60.66 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.695 0 C-N-CA 119.995 -0.682 . . . . 0.53 111.831 -179.157 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 14.1 p -77.47 -25.19 14.88 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.655 0 CA-C-O 121.63 0.728 . . . . 0.65 110.188 178.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.35 -19.07 36.8 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.317 0.579 . . . . 0.32 110.567 178.774 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.12 -25.68 55.62 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 116.059 -0.519 . . . . 0.36 111.426 -179.287 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -60.05 -58.55 8.07 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.158 -0.474 . . . . 0.78 110.42 -179.227 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.416 ' HG3' ' N ' ' A' ' 53' ' ' ARG . 9.4 pt-20 -63.22 -33.37 75.35 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 121.8 0.809 . . . . 0.96 110.861 -179.709 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.416 ' N ' ' HG3' ' A' ' 52' ' ' GLU . 10.0 tpt180 -66.16 -43.72 86.17 Favored 'General case' 0 N--CA 1.435 -1.177 0 CA-C-N 114.911 -1.04 . . . . 3.85 111.479 -175.613 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -103.39 7.94 38.08 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 112.689 0.626 . . . . 0.4 112.689 -176.426 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 64.99 33.5 9.69 Favored 'General case' 0 N--CA 1.486 1.357 0 O-C-N 123.965 0.791 . . . . 1.95 110.558 178.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.72 HG22 ' H ' ' A' ' 57' ' ' LYS . 9.1 p -122.09 -169.88 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.295 -1.791 0 N-CA-C 108.581 -0.896 . . . . 1.37 108.581 -175.704 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.72 ' H ' HG22 ' A' ' 56' ' ' VAL . 25.6 tptp -150.94 129.61 12.3 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 104.396 -2.446 . . . . 3.34 104.396 176.54 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 39.0 mt -126.76 102.51 25.32 Favored Pre-proline 0 C--N 1.307 -1.273 0 CA-C-N 118.198 0.453 . . . . 0.57 110.265 -172.212 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.468 ' O ' HG23 ' A' ' 63' ' ' VAL . 19.9 Cg_exo -65.8 144.48 77.57 Favored 'Trans proline' 0 C--O 1.237 0.464 0 C-N-CA 122.894 2.396 . . . . 0.63 111.672 -179.363 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.433 ' O ' ' HB ' ' A' ' 63' ' ' VAL . 17.6 t70 -56.72 -39.44 73.93 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.326 0.65 . . . . 2.3 112.646 -176.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -63.5 -36.66 84.5 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 120.736 -0.386 . . . . 2.38 110.893 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.564 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 3.6 m-20 -74.34 -30.64 62.12 Favored 'General case' 0 C--O 1.215 -0.722 0 CA-C-N 116.521 -0.309 . . . . 1.52 110.61 177.476 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 59' ' ' PRO . 94.2 t -58.82 -58.06 8.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 108.235 -1.024 . . . . 0.79 108.235 173.487 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -61.22 -22.08 64.45 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 115.925 -0.58 . . . . 1.24 111.505 178.611 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.488 ' HB3' ' HA ' ' A' ' 62' ' ' ASP . 24.4 t-20 -79.91 -23.68 41.63 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 115.874 -0.603 . . . . 2.07 112.275 -179.777 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.564 ' HG ' ' O ' ' A' ' 62' ' ' ASP . 89.5 mt -85.52 -176.87 6.27 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.803 -0.443 . . . . 0.6 109.803 -179.156 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -145.86 -52.77 0.26 Allowed 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 113.051 0.759 . . . . 2.69 113.051 -179.438 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.495 ' HB ' ' O ' ' A' ' 30' ' ' LYS . 61.0 p -112.0 -171.82 1.92 Allowed 'General case' 0 C--N 1.319 -0.733 0 O-C-N 121.165 -0.959 . . . . 0.46 110.279 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.418 HG12 ' CZ ' ' A' ' 32' ' ' PHE . 23.7 m -81.4 -13.83 12.56 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.766 0 N-CA-C 109.29 -0.633 . . . . 0.66 109.29 176.042 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -74.77 -28.9 62.06 Favored Glycine 0 N--CA 1.441 -1.011 0 N-CA-C 109.29 -1.524 . . . . 0.46 109.29 175.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.472 ' HB3' HD22 ' A' ' 66' ' ' LEU . 9.4 m-20 -79.9 -37.0 35.63 Favored 'General case' 0 C--N 1.312 -1.024 0 N-CA-C 109.197 -0.668 . . . . 1.62 109.197 177.072 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.494 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -63.91 -53.5 49.4 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 114.817 -1.083 . . . . 0.51 110.084 -178.727 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.479 ' HA ' HG21 ' A' ' 7' ' ' ILE . 8.6 p -52.55 -47.04 67.03 Favored 'General case' 0 N--CA 1.449 -0.518 0 O-C-N 123.969 0.793 . . . . 0.46 111.802 -179.733 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -54.74 -54.04 47.18 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 124.101 0.876 . . . . 3.54 110.466 179.362 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -62.9 -45.5 92.23 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 123.523 0.514 . . . . 0.83 110.841 -176.177 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.434 HG23 HG11 ' A' ' 56' ' ' VAL . 91.9 mt -61.78 -60.89 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.039 0 CA-C-N 115.725 -0.671 . . . . 0.65 110.121 -179.683 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 60.9 tp -56.87 -31.4 64.78 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 123.839 0.855 . . . . 1.74 112.228 -177.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 23.8 t70 . . . . . 0 C--N 1.307 -1.257 0 CA-C-O 121.039 0.447 . . . . 1.32 111.656 -179.168 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ALA . . . . . 0.556 ' HB1' ' HB2' ' A' ' 6' ' ' GLU . . . . . . . . 0 N--CA 1.434 -1.25 0 N-CA-C 107.681 -1.229 . . . . 1.12 107.681 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.464 ' O ' HG12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -92.29 179.68 5.48 Favored 'General case' 0 C--N 1.297 -1.688 0 C-N-CA 118.531 -1.267 . . . . 1.57 109.929 -178.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.411 ' H ' HG22 ' A' ' 3' ' ' THR . 32.3 tt0 -46.01 -47.81 16.77 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.37 1.068 . . . . 1.76 112.991 -174.725 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.459 ' H ' ' CD ' ' A' ' 5' ' ' GLU . 1.3 mp0 -59.84 -53.24 60.18 Favored 'General case' 0 C--N 1.307 -1.254 0 C-N-CA 123.503 0.721 . . . . 3.05 110.131 -177.508 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.556 ' HB2' ' HB1' ' A' ' 2' ' ' ALA . 15.2 mm-40 -67.75 -30.83 70.39 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.341 -0.845 . . . . 2.53 110.888 -179.497 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.464 HG12 ' O ' ' A' ' 3' ' ' THR . 30.3 mm -65.36 -48.45 83.15 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.103 0 CA-C-N 116.074 -0.512 . . . . 0.45 109.641 177.434 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.563 ' HA ' HD12 ' A' ' 11' ' ' LEU . 82.5 t -58.42 -39.7 75.63 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 CA-C-O 120.822 0.344 . . . . 0.57 110.429 177.4 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.86 -37.12 75.79 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 115.962 -0.563 . . . . 0.48 110.564 176.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -75.9 -40.11 31.55 Favored Glycine 0 C--O 1.216 -1.003 0 N-CA-C 111.254 -0.739 . . . . 0.37 111.254 177.777 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.563 HD12 ' HA ' ' A' ' 8' ' ' VAL . 99.2 mt -55.43 -44.23 76.11 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.25 0.62 . . . . 0.33 110.634 179.142 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.3 -20.23 66.31 Favored 'General case' 0 N--CA 1.433 -1.275 0 CA-C-N 115.366 -0.834 . . . . 0.28 112.875 -178.347 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -62.74 -53.88 47.6 Favored 'General case' 0 CA--C 1.5 -0.959 0 N-CA-C 108.439 -0.949 . . . . 2.48 108.439 177.202 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.649 HG21 ' HA ' ' A' ' 46' ' ' VAL . 2.9 mp -69.51 -40.49 79.77 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.059 0 CA-C-N 115.506 -0.77 . . . . 0.44 109.105 -177.145 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.606 HG13 HG21 ' A' ' 38' ' ' VAL . 61.1 t -63.06 -36.13 74.59 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.336 0 C-N-CA 120.552 -0.459 . . . . 0.34 111.371 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.448 ' HA ' ' H ' ' A' ' 21' ' ' ILE . 24.7 t-20 -72.42 -39.13 68.12 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 122.046 -0.409 . . . . 0.95 110.309 175.458 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -63.08 -45.68 90.99 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.741 -0.663 . . . . 2.11 110.255 179.067 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 35.6 mm -80.59 -54.27 10.91 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.93 0 CA-C-N 115.726 -0.67 . . . . 0.71 112.672 -176.744 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -105.14 -35.94 7.43 Favored 'General case' 0 C--N 1.304 -1.371 0 C-N-CA 120.198 -0.601 . . . . 0.68 112.33 -172.577 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.74 65.46 1.05 Allowed Glycine 0 C--N 1.306 -1.138 0 C-N-CA 119.991 -1.1 . . . . 0.93 112.573 178.648 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.544 HG12 HG12 ' A' ' 15' ' ' VAL . 2.5 pp -104.08 159.11 30.38 Favored Pre-proline 0 C--N 1.305 -1.348 0 CA-C-N 115.682 -0.259 . . . . 0.6 110.619 178.48 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_exo -72.5 133.58 20.91 Favored 'Trans proline' 0 N--CA 1.446 -1.316 0 C-N-CA 121.746 1.631 . . . . 0.75 108.415 171.762 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 10.6 p -66.34 -21.63 28.96 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.149 0 CA-C-O 121.458 0.647 . . . . 1.48 112.248 -174.702 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.461 ' O ' ' HE2' ' A' ' 27' ' ' LYS . 0.8 OUTLIER -93.19 -4.44 52.06 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-N 116.136 -0.484 . . . . 2.03 111.266 179.13 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -82.8 -33.98 27.12 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-O 121.488 0.661 . . . . 1.07 109.218 -179.46 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 40.0 t -76.98 90.48 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 114.894 -1.048 . . . . 0.73 110.444 -178.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.461 ' HE2' ' O ' ' A' ' 24' ' ' GLU . 74.7 mmtt -113.08 179.89 3.83 Favored 'General case' 0 C--N 1.303 -1.425 0 CA-C-N 114.662 -1.154 . . . . 2.83 108.24 175.788 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.554 HD12 ' HA2' ' A' ' 70' ' ' GLY . 3.7 mm? -67.58 -17.07 64.5 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 115.483 1.66 . . . . 1.07 115.483 -172.774 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -91.08 13.6 16.42 Favored 'General case' 0 C--N 1.311 -1.1 0 CA-C-O 121.069 0.461 . . . . 2.47 111.414 178.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 29.5 mmmt -103.55 143.23 33.02 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 116.115 -0.493 . . . . 1.06 109.733 179.355 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.523 ' OG ' ' HB3' ' A' ' 34' ' ' ASP . 11.5 p -114.1 156.73 23.64 Favored 'General case' 0 C--N 1.286 -2.155 0 N-CA-C 107.122 -1.436 . . . . 1.31 107.122 172.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.643 ' HA ' HD12 ' A' ' 36' ' ' LEU . 96.3 m-85 -70.45 -36.23 73.82 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 114.206 1.187 . . . . 1.03 114.206 -168.169 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.588 HG21 ' HB3' ' A' ' 40' ' ' SER . 10.6 t -122.51 11.26 9.89 Favored 'General case' 0 N--CA 1.422 -1.844 0 C-N-CA 119.47 -0.892 . . . . 1.37 111.913 -176.295 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.523 ' HB3' ' OG ' ' A' ' 31' ' ' SER . 36.2 t70 -117.46 -50.52 2.54 Favored 'General case' 0 C--N 1.305 -1.357 0 C-N-CA 119.215 -0.994 . . . . 2.31 111.455 177.249 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.416 ' HB2' ' H ' ' A' ' 31' ' ' SER . 28.7 m-20 -90.14 -21.14 22.38 Favored 'General case' 0 CA--C 1.493 -1.215 0 C-N-CA 120.388 -0.525 . . . . 1.67 110.502 178.167 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.643 HD12 ' HA ' ' A' ' 32' ' ' PHE . 92.8 mt -99.06 171.51 7.99 Favored 'General case' 0 N--CA 1.428 -1.544 0 N-CA-C 109.15 -0.685 . . . . 0.69 109.15 178.38 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -99.33 12.13 37.13 Favored 'General case' 0 C--N 1.309 -1.157 0 CA-C-O 122.758 1.266 . . . . 2.15 109.299 -176.045 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.606 HG21 HG13 ' A' ' 15' ' ' VAL . 23.2 t -85.14 113.93 24.43 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.972 0 CA-C-N 114.266 -1.334 . . . . 2.23 108.797 -176.516 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.418 ' O ' ' HB2' ' A' ' 42' ' ' SER . 22.1 m-20 -62.01 144.17 55.53 Favored 'General case' 0 C--N 1.306 -1.305 0 N-CA-C 107.824 -1.176 . . . . 2.96 107.824 174.155 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.588 ' HB3' HG21 ' A' ' 33' ' ' THR . 26.4 p -62.79 -40.15 96.45 Favored 'General case' 0 C--N 1.285 -2.226 0 N-CA-C 112.633 0.605 . . . . 1.19 112.633 -175.421 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.0 mp -65.54 -19.95 66.13 Favored 'General case' 0 CA--C 1.552 1.035 0 CA-C-O 121.812 0.815 . . . . 1.34 110.17 177.806 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.418 ' HB2' ' O ' ' A' ' 39' ' ' ASP . 50.9 m -83.95 -32.1 25.23 Favored 'General case' 0 N--CA 1.439 -0.975 0 CA-C-N 115.607 -0.724 . . . . 1.26 110.465 176.746 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 15.7 ttp -65.86 -21.25 66.45 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.374 0.607 . . . . 0.97 109.784 178.062 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.454 ' HA ' HG12 ' A' ' 47' ' ' VAL . 31.1 t -59.99 -23.51 27.18 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.233 0 CA-C-N 116.094 -0.503 . . . . 0.65 110.346 175.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 -80.19 -22.93 41.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.865 0.84 . . . . 2.06 109.321 176.228 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.649 ' HA ' HG21 ' A' ' 14' ' ' ILE . 98.2 t -80.62 -50.66 16.9 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.964 0 CA-C-N 114.842 -1.072 . . . . 1.43 109.658 -177.763 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.454 HG12 ' HA ' ' A' ' 44' ' ' VAL . 3.8 p -49.65 -50.16 18.17 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 N-CA-C 113.734 1.013 . . . . 0.53 113.734 -178.233 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -56.78 -51.11 71.38 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.309 0 N-CA-C 108.226 -1.028 . . . . 0.65 108.226 -179.436 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.474 ' O ' ' HG3' ' A' ' 53' ' ' ARG . . . -63.94 -29.45 70.62 Favored 'General case' 0 N--CA 1.423 -1.821 0 CA-C-N 113.623 -1.626 . . . . 0.32 111.426 -176.476 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.7 -39.53 66.92 Favored 'General case' 0 C--N 1.308 -1.235 0 CA-C-N 116.156 -0.474 . . . . 0.36 111.298 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -54.67 -48.19 72.67 Favored 'General case' 0 C--O 1.223 -0.292 0 O-C-N 123.348 0.405 . . . . 0.78 110.299 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -69.82 -43.84 71.17 Favored 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 112.555 0.576 . . . . 0.96 112.555 -178.437 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.474 ' HG3' ' O ' ' A' ' 49' ' ' ALA . 89.3 mtt180 -67.29 -37.99 84.3 Favored 'General case' 0 N--CA 1.462 0.165 0 C-N-CA 120.556 -0.458 . . . . 3.85 112.04 -176.102 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -95.24 0.56 54.05 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 112.191 0.441 . . . . 0.4 112.191 -177.634 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 61.32 36.92 17.42 Favored 'General case' 0 N--CA 1.486 1.357 0 CA-C-O 121.635 0.731 . . . . 1.95 110.729 -179.438 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.681 HG22 ' H ' ' A' ' 57' ' ' LYS . 8.7 p -122.49 -171.85 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.452 0 CA-C-N 115.583 -0.735 . . . . 1.37 109.487 -175.002 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.681 ' H ' HG22 ' A' ' 56' ' ' VAL . 68.5 mttm -138.18 131.31 30.15 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 106.141 -1.8 . . . . 3.34 106.141 175.769 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 52.7 mt -133.89 88.61 31.97 Favored Pre-proline 0 C--N 1.298 -1.664 0 N-CA-C 108.263 -1.014 . . . . 0.57 108.263 -178.728 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.414 ' O ' HG23 ' A' ' 63' ' ' VAL . 26.6 Cg_exo -65.43 143.47 76.21 Favored 'Trans proline' 0 N--CA 1.453 -0.866 0 C-N-CA 122.961 2.441 . . . . 0.63 112.137 -178.693 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -58.24 -24.27 58.71 Favored 'General case' 0 C--N 1.317 -0.814 0 C-N-CA 124.242 1.017 . . . . 2.3 113.36 -177.117 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -74.63 -41.48 60.32 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 108.825 -0.806 . . . . 2.38 108.825 177.003 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.495 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 22.8 m-20 -68.79 -33.46 73.91 Favored 'General case' 0 CA--C 1.498 -1.027 0 CA-C-N 115.929 -0.578 . . . . 1.52 110.642 177.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 59' ' ' PRO . 52.7 t -52.89 -54.48 16.33 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.525 0 O-C-N 124.06 0.85 . . . . 0.79 109.9 173.601 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 39.3 mtmm -67.04 -11.85 58.25 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 112.833 0.679 . . . . 1.24 112.833 -177.756 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -91.94 -20.29 21.55 Favored 'General case' 0 C--N 1.307 -1.254 0 CA-C-O 121.282 0.563 . . . . 2.07 109.685 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.564 HD13 ' HA ' ' A' ' 72' ' ' ALA . 89.0 mt -88.07 166.03 14.72 Favored 'General case' 0 N--CA 1.44 -0.97 0 N-CA-C 109.245 -0.65 . . . . 0.6 109.245 -178.424 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.4 ptpp? -137.43 -56.26 0.7 Allowed 'General case' 0 C--N 1.311 -1.107 0 N-CA-C 113.924 1.083 . . . . 2.69 113.924 -176.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.482 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 68.9 p -105.82 -179.87 4.07 Favored 'General case' 0 C--N 1.309 -1.174 0 O-C-N 121.435 -0.791 . . . . 0.46 109.974 -179.099 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.415 HG12 ' CZ ' ' A' ' 32' ' ' PHE . 19.6 m -77.24 -22.75 14.48 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.948 0 N-CA-C 109.444 -0.576 . . . . 0.66 109.444 176.399 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.554 ' HA2' HD12 ' A' ' 28' ' ' LEU . . . -76.17 -36.61 39.72 Favored Glycine 0 CA--C 1.496 -1.129 0 N-CA-C 109.793 -1.323 . . . . 0.46 109.793 177.543 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.438 ' OD2' ' HA ' ' A' ' 66' ' ' LEU . 21.5 t0 -72.82 -34.49 66.88 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-N 114.835 -0.683 . . . . 1.62 110.278 177.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.564 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -76.01 -37.93 57.88 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.912 -0.585 . . . . 0.51 111.856 -177.695 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.433 ' HA ' HD12 ' A' ' 76' ' ' ILE . 6.0 p -63.58 -24.55 67.85 Favored 'General case' 0 N--CA 1.44 -0.934 0 N-CA-C 113.808 1.04 . . . . 0.46 113.808 -177.371 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -69.98 -39.14 76.12 Favored 'General case' 0 C--O 1.211 -0.948 0 N-CA-C 110.121 -0.325 . . . . 3.54 110.121 178.61 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 78.4 t80 -68.08 -34.71 76.94 Favored 'General case' 0 C--O 1.25 1.121 0 CA-C-O 121.931 0.872 . . . . 0.83 109.943 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.433 HD12 ' HA ' ' A' ' 73' ' ' THR . 82.2 mt -68.3 -57.44 9.13 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.231 0 CA-C-N 114.977 -1.011 . . . . 0.65 108.855 177.678 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 51.7 tp -59.47 -24.42 63.55 Favored 'General case' 0 C--N 1.345 0.406 0 C-N-CA 123.739 0.816 . . . . 1.74 111.504 -178.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 14.5 t70 . . . . . 0 C--N 1.313 -1.006 0 CA-C-N 115.212 -0.904 . . . . 1.32 111.142 176.501 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.489 -1.401 0 CA-C-O 121.553 0.692 . . . . 1.12 110.01 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.526 ' O ' HG12 ' A' ' 7' ' ' ILE . 25.0 p -105.12 -174.96 2.66 Favored 'General case' 0 N--CA 1.409 -2.476 0 CA-C-N 114.859 -1.064 . . . . 1.57 112.03 -178.325 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -46.46 -46.42 18.86 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 115.598 1.703 . . . . 1.76 115.598 -171.101 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -74.91 -25.55 59.0 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-O 121.649 0.738 . . . . 3.05 110.624 -174.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -83.82 -36.79 23.24 Favored 'General case' 0 C--N 1.299 -1.623 0 N-CA-C 108.532 -0.914 . . . . 2.53 108.532 178.721 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.526 HG12 ' O ' ' A' ' 3' ' ' THR . 35.8 mm -65.73 -59.6 3.82 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.98 0 CA-C-N 114.513 -1.222 . . . . 0.45 111.156 -179.304 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 89.2 t -55.16 -48.0 76.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 O-C-N 122.992 0.182 . . . . 0.57 110.739 -177.463 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.468 ' O ' ' HG2' ' A' ' 13' ' ' GLU . . . -55.13 -45.6 75.6 Favored 'General case' 0 C--O 1.22 -0.474 0 O-C-N 123.52 0.512 . . . . 0.48 110.969 177.09 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.425 ' HA3' ' CZ ' ' A' ' 54' ' ' PHE . . . -66.21 -40.3 94.8 Favored Glycine 0 C--O 1.221 -0.718 0 N-CA-C 111.058 -0.817 . . . . 0.37 111.058 -179.247 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 97.2 mt -58.34 -47.27 84.29 Favored 'General case' 0 CA--C 1.511 -0.527 0 N-CA-C 109.547 -0.538 . . . . 0.33 109.547 176.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.79 -25.63 64.8 Favored 'General case' 0 C--O 1.201 -1.474 0 CA-C-N 115.474 -0.785 . . . . 0.28 111.897 -179.541 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.468 ' HG2' ' O ' ' A' ' 9' ' ' ALA . 33.8 mm-40 -59.8 -49.64 76.91 Favored 'General case' 0 C--O 1.239 0.537 0 N-CA-C 109.802 -0.444 . . . . 2.48 109.802 174.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.806 ' HB ' HG23 ' A' ' 46' ' ' VAL . 5.2 mp -73.51 -45.73 50.75 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.977 0 C-N-CA 119.963 -0.695 . . . . 0.44 109.752 177.797 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.779 HG23 HG21 ' A' ' 46' ' ' VAL . 91.1 t -60.92 -23.71 30.43 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.159 0 N-CA-C 112.554 0.575 . . . . 0.34 112.554 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -65.59 -38.48 89.6 Favored 'General case' 0 C--N 1.313 -0.996 0 O-C-N 121.463 -0.773 . . . . 0.95 110.718 176.069 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -76.61 -32.61 58.17 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-O 121.232 0.539 . . . . 2.11 109.84 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 65.8 mt -81.63 -53.49 11.98 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.812 0 CA-C-N 115.565 -0.743 . . . . 0.71 112.408 -177.14 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -100.8 -30.52 11.65 Favored 'General case' 0 C--N 1.314 -0.962 0 N-CA-C 112.32 0.489 . . . . 0.68 112.32 -175.158 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.71 47.07 5.5 Favored Glycine 0 C--N 1.31 -0.893 0 C-N-CA 120.372 -0.918 . . . . 0.93 111.219 -177.803 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.408 ' CG1' HG12 ' A' ' 15' ' ' VAL . 2.3 pp -106.01 157.46 34.73 Favored Pre-proline 0 C--N 1.31 -1.139 0 N-CA-C 111.612 0.227 . . . . 0.6 111.612 -179.622 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_exo -75.62 135.37 17.88 Favored 'Trans proline' 0 N--CA 1.449 -1.14 0 C-N-CA 122.641 2.227 . . . . 0.75 109.431 174.009 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 32.8 m -68.13 -20.36 25.62 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.175 0 N-CA-C 112.425 0.528 . . . . 1.48 112.425 -176.688 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -94.74 -5.14 46.02 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-O 120.92 0.39 . . . . 2.03 110.926 178.657 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 39.2 t70 -82.49 -34.52 27.99 Favored 'General case' 0 CA--C 1.496 -1.108 0 N-CA-C 108.296 -1.002 . . . . 1.07 108.296 178.572 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.704 ' HA ' ' HG3' ' A' ' 30' ' ' LYS . 41.8 t -79.17 88.75 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.338 0 CA-C-N 114.275 -1.33 . . . . 0.73 109.535 178.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -99.29 -178.37 3.89 Favored 'General case' 0 C--N 1.304 -1.407 0 N-CA-C 107.218 -1.401 . . . . 2.83 107.218 172.131 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.613 ' HA ' HG23 ' A' ' 69' ' ' VAL . 5.6 mp -64.88 -20.88 66.66 Favored 'General case' 0 C--N 1.312 -1.062 0 N-CA-C 115.35 1.611 . . . . 1.07 115.35 -169.877 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -85.96 -0.92 56.68 Favored 'General case' 0 C--N 1.311 -1.088 0 C-N-CA 120.486 -0.486 . . . . 2.47 111.398 -179.631 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.704 ' HG3' ' HA ' ' A' ' 26' ' ' VAL . 28.4 mmtm -80.45 132.08 35.67 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 112.16 0.43 . . . . 1.06 112.16 -179.077 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.474 ' HB2' HG22 ' A' ' 68' ' ' THR . 30.7 t -111.12 149.45 30.83 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 108.088 -1.078 . . . . 1.31 108.088 173.817 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.446 ' O ' ' HB2' ' A' ' 36' ' ' LEU . 97.8 m-85 -64.73 -54.59 29.12 Favored 'General case' 0 C--O 1.22 -0.464 0 N-CA-C 113.493 0.923 . . . . 1.03 113.493 -169.62 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.657 HG21 ' HB3' ' A' ' 40' ' ' SER . 8.0 t -128.27 71.99 1.41 Allowed 'General case' 0 C--N 1.29 -1.983 0 CA-C-O 122.958 1.361 . . . . 1.37 109.3 178.198 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -170.19 -42.93 0.02 OUTLIER 'General case' 0 C--N 1.31 -1.15 0 CA-C-N 112.958 -1.928 . . . . 2.31 107.543 -176.118 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -107.89 -44.87 4.11 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 107.874 -1.158 . . . . 1.67 107.874 176.082 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.66 HD21 ' HD2' ' A' ' 30' ' ' LYS . 79.0 mt -90.7 174.61 7.39 Favored 'General case' 0 N--CA 1.443 -0.822 0 CA-C-N 114.707 -1.133 . . . . 0.69 110.202 178.845 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -109.04 29.26 7.66 Favored 'General case' 0 C--N 1.315 -0.928 0 C-N-CA 123.786 0.834 . . . . 2.15 109.599 -178.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.464 ' O ' ' HB ' ' A' ' 33' ' ' THR . 47.1 t -77.93 118.1 24.31 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.118 0 CA-C-N 115.115 -0.948 . . . . 2.23 109.038 -178.659 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.428 ' HB2' ' HB2' ' A' ' 42' ' ' SER . 9.2 m-20 -52.66 130.85 33.59 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 108.86 -0.793 . . . . 2.96 108.86 175.846 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.657 ' HB3' HG21 ' A' ' 33' ' ' THR . 70.3 p -66.66 -49.49 65.99 Favored 'General case' 0 C--N 1.299 -1.626 0 CA-C-N 116.369 -0.378 . . . . 1.19 111.735 -173.108 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.7 mp -60.67 -26.43 67.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.685 0.755 . . . . 1.34 110.199 178.11 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.428 ' HB2' ' HB2' ' A' ' 39' ' ' ASP . 32.4 m -82.9 -24.32 33.18 Favored 'General case' 0 N--CA 1.432 -1.374 0 CA-C-N 115.558 -0.746 . . . . 1.26 110.892 179.455 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.492 ' O ' HG12 ' A' ' 46' ' ' VAL . 12.5 tmm? -70.85 -25.56 62.88 Favored 'General case' 0 C--O 1.215 -0.738 0 CA-C-O 122.142 0.973 . . . . 0.97 108.444 177.325 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.448 ' HA ' HG12 ' A' ' 47' ' ' VAL . 33.2 t -61.61 -27.92 43.06 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.739 0 CA-C-O 122.067 0.937 . . . . 0.65 108.792 175.839 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -80.09 -20.41 45.16 Favored 'General case' 0 N--CA 1.424 -1.728 0 CA-C-N 114.668 -1.151 . . . . 2.06 111.314 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.806 HG23 ' HB ' ' A' ' 14' ' ' ILE . 12.6 p -87.95 -35.64 8.43 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.05 0 C-N-CA 119.825 -0.75 . . . . 1.43 110.053 175.877 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.534 HG21 HG22 ' A' ' 63' ' ' VAL . 12.9 p -66.18 -40.7 87.71 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 C-N-CA 119.872 -0.731 . . . . 0.53 111.36 179.568 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 11.9 p -65.58 -34.53 71.04 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 CA-C-O 121.353 0.596 . . . . 0.65 110.036 177.098 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -75.28 -26.86 59.1 Favored 'General case' 0 C--O 1.21 -1.004 0 CA-C-N 115.982 -0.554 . . . . 0.32 110.335 178.577 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.38 -34.29 70.28 Favored 'General case' 0 C--N 1.308 -1.225 0 CA-C-N 116.57 -0.286 . . . . 0.36 110.323 179.315 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.588 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 39.8 mt-10 -59.1 -41.36 87.94 Favored 'General case' 0 C--O 1.217 -0.646 0 O-C-N 123.607 0.567 . . . . 0.78 110.69 179.011 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -83.75 -35.78 24.11 Favored 'General case' 0 C--N 1.307 -1.244 0 CA-C-N 116.16 -0.473 . . . . 0.96 111.839 178.512 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.5 tpm_? -67.99 -49.24 62.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.165 0.507 . . . . 3.85 111.269 -177.009 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.515 ' HB2' HG12 ' A' ' 56' ' ' VAL . 51.5 m-85 -97.66 -5.39 35.45 Favored 'General case' 0 C--N 1.306 -1.32 0 CA-C-N 115.95 -0.568 . . . . 0.4 111.165 -175.741 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.7 t70 76.57 -12.45 1.04 Allowed 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 124.631 1.172 . . . . 1.95 112.175 178.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.664 HG11 HG23 ' A' ' 76' ' ' ILE . 6.4 p -83.07 110.76 18.44 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.258 0 CA-C-O 121.837 0.827 . . . . 1.37 110.514 178.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 33.5 mtmm -75.27 129.21 37.05 Favored 'General case' 0 C--N 1.289 -2.034 0 CA-C-N 115.316 -0.856 . . . . 3.34 109.356 179.089 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.446 ' H ' ' HG2' ' A' ' 51' ' ' GLU . 46.0 mt -122.31 103.77 38.37 Favored Pre-proline 0 C--N 1.304 -1.373 0 N-CA-C 108.868 -0.79 . . . . 0.57 108.868 -172.405 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.507 ' O ' HG23 ' A' ' 63' ' ' VAL . 27.6 Cg_exo -65.87 152.45 81.45 Favored 'Trans proline' 0 CA--C 1.534 0.499 0 C-N-CA 123.801 3.001 . . . . 0.63 113.341 -178.733 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -52.66 -44.83 66.43 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 125.257 1.423 . . . . 2.3 111.417 -179.692 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -63.69 -25.3 68.14 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.081 -0.963 . . . . 2.38 111.806 179.556 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.427 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 54.0 m-20 -86.51 -37.32 18.34 Favored 'General case' 0 CA--C 1.503 -0.864 0 O-C-N 122.252 -0.28 . . . . 1.52 111.23 178.337 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.534 HG22 HG21 ' A' ' 47' ' ' VAL . 64.6 t -54.44 -55.24 15.96 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 123.111 0.564 . . . . 0.79 109.535 177.559 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -66.23 -12.06 53.85 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.408 -0.815 . . . . 1.24 112.347 -178.172 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -95.81 -3.54 45.44 Favored 'General case' 0 C--N 1.308 -1.199 0 CA-C-O 121.113 0.482 . . . . 2.07 110.092 -175.754 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.486 HD22 ' HB3' ' A' ' 71' ' ' ASP . 78.4 mt -106.95 175.74 5.4 Favored 'General case' 0 C--N 1.313 -1.009 0 C-N-CA 120.399 -0.52 . . . . 0.6 110.398 -178.806 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 47.6 pttt -139.97 -59.6 0.55 Allowed 'General case' 0 N--CA 1.438 -1.053 0 N-CA-C 113.262 0.838 . . . . 2.69 113.262 178.439 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.474 HG22 ' HB2' ' A' ' 31' ' ' SER . 68.3 p -98.97 -179.26 4.21 Favored 'General case' 0 C--N 1.309 -1.173 0 O-C-N 121.457 -0.777 . . . . 0.46 110.86 -179.42 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.613 HG23 ' HA ' ' A' ' 28' ' ' LEU . 35.7 m -79.48 -13.11 13.31 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.669 0 CA-C-O 121.395 0.617 . . . . 0.66 109.455 173.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -75.64 -25.83 66.66 Favored Glycine 0 N--CA 1.435 -1.413 0 N-CA-C 109.087 -1.605 . . . . 0.46 109.087 172.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.743 ' HA ' ' HE2' ' A' ' 74' ' ' LYS . 18.8 m-20 -80.67 -34.95 34.37 Favored 'General case' 0 CA--C 1.505 -0.755 0 N-CA-C 109.628 -0.508 . . . . 1.62 109.628 174.602 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.47 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -63.18 -53.24 56.27 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 115.238 -0.892 . . . . 0.51 110.063 -179.567 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.5 p -57.0 -51.0 70.99 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 115.711 -0.677 . . . . 0.46 110.606 177.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.743 ' HE2' ' HA ' ' A' ' 71' ' ' ASP . 37.6 ttpt -49.06 -42.74 39.67 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 124.432 1.093 . . . . 3.54 111.803 177.639 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -73.05 -50.17 24.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.091 0.472 . . . . 0.83 110.742 178.371 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.664 HG23 HG11 ' A' ' 56' ' ' VAL . 56.2 mt -53.9 -57.71 5.03 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.226 0 CA-C-N 115.456 -0.793 . . . . 0.65 112.168 -178.623 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 10.9 mp -58.84 -21.78 57.49 Favored 'General case' 0 C--N 1.317 -0.832 0 C-N-CA 123.641 0.776 . . . . 1.74 112.272 179.358 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 18.6 t70 . . . . . 0 C--N 1.313 -0.993 0 CA-C-O 121.594 0.711 . . . . 1.32 110.041 177.624 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.704 0 N-CA-C 106.479 -1.675 . . . . 1.12 106.479 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.569 HG22 ' H ' ' A' ' 4' ' ' GLN . 1.2 m -97.09 172.86 7.57 Favored 'General case' 0 C--N 1.295 -1.767 0 C-N-CA 119.031 -1.068 . . . . 1.57 112.771 -171.447 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.569 ' H ' HG22 ' A' ' 3' ' ' THR . 62.2 tt0 -40.01 -56.31 1.87 Allowed 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 126.452 1.901 . . . . 1.76 115.345 -170.3 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -66.23 -37.74 86.25 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 118.816 0.734 . . . . 3.05 111.438 -177.179 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -74.51 -27.52 60.58 Favored 'General case' 0 N--CA 1.438 -1.05 0 N-CA-C 109.077 -0.712 . . . . 2.53 109.077 -178.304 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.483 HG12 ' O ' ' A' ' 3' ' ' THR . 37.0 mm -68.22 -48.8 72.05 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.105 0 N-CA-C 108.594 -0.891 . . . . 0.45 108.594 173.577 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.472 ' HA ' HD12 ' A' ' 11' ' ' LEU . 88.8 t -53.19 -46.87 56.56 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 CA-C-N 115.881 -0.599 . . . . 0.57 110.233 177.323 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.554 ' O ' ' HG3' ' A' ' 13' ' ' GLU . . . -53.31 -46.6 69.46 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 123.852 0.72 . . . . 0.48 110.807 177.489 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.8 -39.95 93.63 Favored Glycine 0 N--CA 1.444 -0.828 0 N-CA-C 111.529 -0.628 . . . . 0.37 111.529 -179.431 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.472 HD12 ' HA ' ' A' ' 8' ' ' VAL . 91.0 mt -57.86 -51.66 68.69 Favored 'General case' 0 C--O 1.243 0.744 0 C-N-CA 123.257 0.623 . . . . 0.33 111.018 178.642 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.33 -22.35 66.92 Favored 'General case' 0 N--CA 1.443 -0.803 0 CA-C-N 115.371 -0.831 . . . . 0.28 112.797 -176.146 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.554 ' HG3' ' O ' ' A' ' 9' ' ' ALA . 42.7 mt-10 -62.78 -49.98 72.83 Favored 'General case' 0 C--O 1.243 0.761 0 CA-C-O 120.737 0.303 . . . . 2.48 110.523 178.102 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.562 HG21 ' HA ' ' A' ' 46' ' ' VAL . 3.6 mp -71.39 -35.4 57.09 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 N-CA-C 109.281 -0.637 . . . . 0.44 109.281 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 11' ' ' LEU . 21.5 t -69.42 -26.46 31.38 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.213 0 C-N-CA 120.215 -0.594 . . . . 0.34 110.946 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.478 ' O ' ' HA2' ' A' ' 20' ' ' GLY . 24.8 t-20 -74.24 -28.23 61.14 Favored 'General case' 0 C--O 1.214 -0.794 0 O-C-N 121.785 -0.572 . . . . 0.95 110.26 175.685 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -77.46 -52.36 9.23 Favored 'General case' 0 C--N 1.304 -1.386 0 CA-C-O 121.442 0.639 . . . . 2.11 109.741 178.224 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.613 HD12 HG22 ' A' ' 46' ' ' VAL . 48.3 mt -73.02 -52.41 22.32 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 CA-C-N 115.533 -0.758 . . . . 0.71 112.637 -176.46 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -97.25 -41.86 8.08 Favored 'General case' 0 C--N 1.31 -1.144 0 CA-C-O 120.999 0.428 . . . . 0.68 111.095 -177.437 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.478 ' HA2' ' O ' ' A' ' 16' ' ' ASN . . . 93.88 43.28 3.9 Favored Glycine 0 C--N 1.309 -0.961 0 C-N-CA 120.155 -1.022 . . . . 0.93 111.821 -179.081 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 2.4 pp -86.55 159.63 52.36 Favored Pre-proline 0 C--N 1.307 -1.251 0 N-CA-C 111.559 0.207 . . . . 0.6 111.559 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -70.4 133.58 24.72 Favored 'Trans proline' 0 N--CA 1.446 -1.306 0 C-N-CA 121.922 1.748 . . . . 0.75 108.6 171.397 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.9 m -66.36 -26.5 37.96 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.269 0 C-N-CA 120.43 -0.508 . . . . 1.48 112.271 -177.05 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -83.39 -7.67 59.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.838 0.351 . . . . 2.03 110.88 178.091 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.429 ' O ' ' HE3' ' A' ' 30' ' ' LYS . 25.9 t70 -78.11 -39.71 40.47 Favored 'General case' 0 CA--C 1.501 -0.917 0 N-CA-C 109.346 -0.612 . . . . 1.07 109.346 -177.757 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 52.6 t -71.01 91.34 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.036 0 CA-C-N 114.658 -1.155 . . . . 0.73 110.793 -178.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -113.77 169.83 8.7 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 107.708 -1.219 . . . . 2.83 107.708 173.683 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.411 ' HA ' HG23 ' A' ' 69' ' ' VAL . 55.3 mt -52.04 -31.12 28.58 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 114.733 1.382 . . . . 1.07 114.733 -170.351 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -79.24 -5.1 53.58 Favored 'General case' 0 C--N 1.312 -1.032 0 N-CA-C 112.708 0.633 . . . . 2.47 112.708 -179.213 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.568 ' HB3' ' HG ' ' A' ' 36' ' ' LEU . 73.8 mmtt -87.17 122.22 30.68 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 120.768 0.318 . . . . 1.06 111.387 -178.04 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.672 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 24.1 t -96.22 147.83 23.36 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 107.68 -1.23 . . . . 1.31 107.68 171.768 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.532 ' CZ ' HG12 ' A' ' 69' ' ' VAL . 91.9 m-85 -59.01 -36.96 75.81 Favored 'General case' 0 CA--C 1.513 -0.457 0 N-CA-C 113.316 0.858 . . . . 1.03 113.316 -170.403 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.8 t -136.63 76.2 1.58 Allowed 'General case' 0 N--CA 1.42 -1.929 0 CA-C-O 122.671 1.224 . . . . 1.37 110.999 177.394 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -173.54 -54.14 0.02 OUTLIER 'General case' 0 CA--C 1.488 -1.438 0 CA-C-N 113.252 -1.795 . . . . 2.31 106.508 175.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -95.97 -47.39 6.13 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 114.537 -1.21 . . . . 1.67 108.168 176.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.568 ' HG ' ' HB3' ' A' ' 30' ' ' LYS . 76.6 mt -77.7 156.29 30.76 Favored 'General case' 0 CA--C 1.494 -1.186 0 CA-C-N 115.562 -0.744 . . . . 0.69 110.287 -179.593 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -102.92 71.75 1.16 Allowed 'General case' 0 C--N 1.297 -1.694 0 CA-C-O 122.402 1.096 . . . . 2.15 109.315 -174.184 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 45.7 t -126.91 145.07 35.12 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.701 0 N-CA-C 105.409 -2.071 . . . . 2.23 105.409 175.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -59.65 -77.55 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 118.292 0.496 . . . . 2.96 110.37 -179.63 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 97.0 p -179.17 -72.83 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.329 0.652 . . . . 1.19 111.843 169.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.2 mp -58.64 -23.68 59.6 Favored 'General case' 0 N--CA 1.489 1.475 0 CA-C-O 121.993 0.902 . . . . 1.34 111.374 -179.142 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.0 m -63.75 -23.81 67.51 Favored 'General case' 0 C--N 1.295 -1.772 0 CA-C-N 115.273 -0.876 . . . . 1.26 111.75 178.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.423 ' O ' ' HB ' ' A' ' 46' ' ' VAL . 11.2 tmm? -70.17 -21.97 63.0 Favored 'General case' 0 C--O 1.21 -1.004 0 N-CA-C 109.056 -0.72 . . . . 0.97 109.056 178.637 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.551 ' HA ' HG12 ' A' ' 47' ' ' VAL . 31.3 t -64.21 -23.68 33.95 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.833 0 CA-C-O 121.581 0.705 . . . . 0.65 110.428 178.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.3 mm-40 -79.0 -21.53 46.87 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 121.56 0.695 . . . . 2.06 109.459 175.588 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.613 HG22 HD12 ' A' ' 18' ' ' ILE . 91.6 t -77.74 -63.23 1.13 Allowed 'Isoleucine or valine' 0 C--O 1.213 -0.854 0 N-CA-C 108.139 -1.06 . . . . 1.43 108.139 177.249 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.551 HG12 ' HA ' ' A' ' 44' ' ' VAL . 13.8 p -50.82 -39.43 18.68 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.79 0 N-CA-C 114.127 1.158 . . . . 0.53 114.127 -174.724 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 14.5 p -66.53 -33.16 61.6 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.957 0 CA-C-O 121.52 0.676 . . . . 0.65 110.737 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -86.25 -16.25 38.24 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.6 -0.727 . . . . 0.32 109.736 178.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -81.37 -53.44 6.32 Favored 'General case' 0 CA--C 1.493 -1.235 0 CA-C-N 115.14 -0.936 . . . . 0.36 110.837 -179.469 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.452 ' OE1' ' HD2' ' A' ' 57' ' ' LYS . 17.2 pt-20 -55.33 -45.9 76.36 Favored 'General case' 0 C--N 1.315 -0.927 0 O-C-N 123.773 0.671 . . . . 0.78 111.144 -176.871 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -64.7 -38.9 92.55 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-O 120.776 0.322 . . . . 0.96 111.161 178.047 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.461 ' HA ' ' HE ' ' A' ' 53' ' ' ARG . 1.2 tpm_? -62.95 -41.68 99.58 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 123.483 0.713 . . . . 3.85 110.52 -178.824 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -90.56 9.58 28.91 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.899 -0.591 . . . . 0.4 112.354 -176.654 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 62.7 29.66 16.81 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 123.543 0.737 . . . . 1.95 111.148 178.438 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.529 HG22 ' H ' ' A' ' 57' ' ' LYS . 9.1 p -120.52 -179.95 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.581 0 N-CA-C 109.171 -0.677 . . . . 1.37 109.171 -176.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.529 ' H ' HG22 ' A' ' 56' ' ' VAL . 31.1 tptt -134.03 119.81 19.44 Favored 'General case' 0 N--CA 1.427 -1.586 0 N-CA-C 107.718 -1.216 . . . . 3.34 107.718 174.601 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 58.5 mt -114.4 104.05 54.74 Favored Pre-proline 0 C--N 1.299 -1.604 0 N-CA-C 109.68 -0.489 . . . . 0.57 109.68 -178.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.529 ' O ' HG23 ' A' ' 63' ' ' VAL . 25.7 Cg_exo -63.72 148.29 92.17 Favored 'Trans proline' 0 CA--C 1.537 0.63 0 C-N-CA 123.394 2.73 . . . . 0.63 112.295 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -57.2 -39.96 76.48 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 124.289 1.036 . . . . 2.3 113.654 -172.272 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -81.03 -30.97 34.77 Favored 'General case' 0 C--N 1.306 -1.325 0 CA-C-O 121.414 0.626 . . . . 2.38 110.31 -178.286 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -65.49 -29.95 70.66 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.675 -0.693 . . . . 1.52 110.474 176.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 59' ' ' PRO . 92.2 t -58.8 -50.11 80.51 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.555 0 N-CA-C 109.046 -0.724 . . . . 0.79 109.046 173.837 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 60.6 mttm -64.55 -16.5 62.71 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.716 0.806 . . . . 1.24 111.491 -175.553 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 17.2 m-80 -85.89 -17.13 36.38 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.708 -0.678 . . . . 2.07 112.397 -178.525 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.559 HD13 ' HA ' ' A' ' 72' ' ' ALA . 81.6 mt -89.26 173.63 8.29 Favored 'General case' 0 C--N 1.313 -0.997 0 C-N-CA 120.337 -0.545 . . . . 0.6 110.054 -177.778 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.428 ' HB2' ' OD2' ' A' ' 71' ' ' ASP . 9.4 mtmp? -130.6 -72.84 0.55 Allowed 'General case' 0 C--N 1.311 -1.099 0 CA-C-O 121.019 0.438 . . . . 2.69 111.359 -178.425 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.672 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 45.3 p -97.21 -179.18 4.43 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 122.239 -0.288 . . . . 0.46 111.591 -176.14 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.532 HG12 ' CZ ' ' A' ' 32' ' ' PHE . 34.6 m -74.72 -17.52 16.45 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 N-CA-C 109.337 -0.616 . . . . 0.66 109.337 174.264 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -72.78 -27.42 69.09 Favored Glycine 0 N--CA 1.432 -1.633 0 N-CA-C 109.427 -1.469 . . . . 0.46 109.427 174.053 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.428 ' OD2' ' HB2' ' A' ' 67' ' ' LYS . 59.9 m-20 -83.69 -31.92 25.84 Favored 'General case' 0 C--N 1.311 -1.096 0 O-C-N 122.315 -0.52 . . . . 1.62 110.204 177.552 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.559 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -63.44 -52.47 61.36 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.352 -0.84 . . . . 0.51 109.365 178.17 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.529 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 16.5 p -54.09 -51.48 64.03 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-N 115.121 -0.945 . . . . 0.46 112.444 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.1 mtmm -56.69 -38.97 73.0 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 112.534 0.568 . . . . 3.54 112.534 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 56.6 t80 -70.04 -41.02 74.79 Favored 'General case' 0 C--O 1.242 0.681 0 CA-C-O 121.543 0.687 . . . . 0.83 109.961 -178.777 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.84 -59.13 4.76 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.049 0 CA-C-N 115.08 -0.963 . . . . 0.65 111.162 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' ' 73' ' ' THR . 3.3 pp -62.7 -22.96 66.89 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 112.993 0.738 . . . . 1.74 112.993 -177.598 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 21.1 t70 . . . . . 0 C--N 1.306 -1.297 0 CA-C-O 121.326 0.584 . . . . 1.32 109.861 177.054 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.473 -1.988 0 N-CA-C 108.343 -0.984 . . . . 1.12 108.343 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.589 ' O ' HG12 ' A' ' 7' ' ' ILE 0.285 7.4 p -95.18 176.82 6.08 Favored 'General case' 0 N--CA 1.403 -2.796 0 N-CA-C 113.518 0.933 . . . . 1.57 113.518 -177.056 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -55.9 -38.7 70.55 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 115.946 1.832 . . . . 1.76 115.946 -168.7 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -74.12 -33.33 63.54 Favored 'General case' 0 C--N 1.314 -0.935 0 N-CA-C 108.769 -0.826 . . . . 3.05 108.769 -178.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -72.18 -38.18 69.15 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.631 -0.713 . . . . 2.53 109.428 177.441 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.589 HG12 ' O ' ' A' ' 3' ' ' THR . 44.9 mm -60.46 -54.07 40.1 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.705 0 N-CA-C 109.099 -0.704 . . . . 0.45 109.099 177.721 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.601 HG21 HD13 ' A' ' 28' ' ' LEU . 86.6 t -57.26 -42.13 79.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 CA-C-N 116.4 -0.364 . . . . 0.57 111.18 179.392 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.39 -40.89 95.99 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.327 -0.397 . . . . 0.48 110.944 177.364 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.48 -38.31 90.68 Favored Glycine 0 C--O 1.216 -0.971 0 N-CA-C 110.881 -0.888 . . . . 0.37 110.881 178.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.586 HD12 ' HA ' ' A' ' 8' ' ' VAL . 94.4 mt -58.01 -43.74 86.86 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.356 0.598 . . . . 0.33 109.431 176.293 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.56 -25.91 67.64 Favored 'General case' 0 C--O 1.211 -0.952 0 CA-C-N 115.107 -0.951 . . . . 0.28 112.392 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -59.52 -48.74 80.5 Favored 'General case' 0 C--O 1.245 0.847 0 CA-C-O 121.565 0.697 . . . . 2.48 109.159 175.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.764 HD11 ' HG3' ' A' ' 53' ' ' ARG . 3.5 mp -74.38 -41.03 50.07 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.274 0 CA-C-N 115.334 -0.848 . . . . 0.44 109.771 179.517 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.563 HG11 HD13 ' A' ' 36' ' ' LEU . 53.6 t -63.78 -26.34 40.39 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.292 0 O-C-N 121.748 -0.595 . . . . 0.34 111.472 179.394 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -72.28 -31.27 65.6 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 121.253 0.549 . . . . 0.95 109.758 175.703 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -79.61 -35.91 38.81 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 115.457 -0.792 . . . . 2.11 110.39 -179.511 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 45.6 mm -82.99 -53.63 11.09 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.072 0 CA-C-N 115.645 -0.707 . . . . 0.71 111.473 -178.473 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -110.14 -45.15 3.63 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-O 120.706 0.289 . . . . 0.68 111.554 -175.609 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 102.6 87.17 1.99 Allowed Glycine 0 C--N 1.317 -0.522 0 C-N-CA 120.15 -1.024 . . . . 0.93 112.466 179.575 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.427 HD11 ' HB ' ' A' ' 15' ' ' VAL . 1.7 pp -136.79 154.77 76.62 Favored Pre-proline 0 C--N 1.303 -1.417 0 C-N-CA 123.031 0.532 . . . . 0.6 109.939 179.203 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -67.23 124.47 12.17 Favored 'Trans proline' 0 N--CA 1.446 -1.292 0 C-N-CA 121.921 1.747 . . . . 0.75 109.968 176.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 27.5 m -64.35 -8.6 4.97 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.03 0 N-CA-C 114.098 1.147 . . . . 1.48 114.098 -177.384 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.25 -17.42 19.84 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-O 121.115 0.483 . . . . 2.03 110.011 177.176 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -85.92 -28.86 24.05 Favored 'General case' 0 CA--C 1.497 -1.063 0 CA-C-O 121.621 0.724 . . . . 1.07 109.931 -172.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.921 ' HA ' ' HG3' ' A' ' 30' ' ' LYS . 48.6 t -77.66 89.33 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.361 0 N-CA-C 107.741 -1.207 . . . . 0.73 107.741 175.347 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -101.57 -178.29 3.68 Favored 'General case' 0 C--N 1.306 -1.31 0 CA-C-N 114.375 -1.284 . . . . 2.83 108.436 179.637 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.601 HD13 HG21 ' A' ' 8' ' ' VAL . 3.9 mm? -57.18 -26.37 60.51 Favored 'General case' 0 N--CA 1.482 1.127 0 N-CA-C 114.104 1.15 . . . . 1.07 114.104 -175.517 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -94.59 19.77 9.41 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 113.043 0.757 . . . . 2.47 113.043 -177.652 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.921 ' HG3' ' HA ' ' A' ' 26' ' ' VAL . 32.4 mmtm -89.4 167.67 12.83 Favored 'General case' 0 C--N 1.296 -1.718 0 CA-C-O 121.184 0.516 . . . . 1.06 110.289 175.008 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.546 ' OG ' ' HB2' ' A' ' 34' ' ' ASP . 12.6 p -146.25 168.43 21.08 Favored 'General case' 0 C--N 1.292 -1.918 0 N-CA-C 105.252 -2.129 . . . . 1.31 105.252 174.55 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.512 ' O ' ' HB2' ' A' ' 36' ' ' LEU . 94.5 m-85 -88.94 -38.92 14.12 Favored 'General case' 0 C--N 1.307 -1.28 0 CA-C-N 119.509 1.05 . . . . 1.03 112.557 -170.574 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.2 t -112.99 -7.69 13.7 Favored 'General case' 0 C--N 1.287 -2.115 0 C-N-CA 118.542 -1.263 . . . . 1.37 112.539 -177.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.546 ' HB2' ' OG ' ' A' ' 31' ' ' SER . 8.6 m-20 -95.95 -55.93 2.82 Favored 'General case' 0 C--N 1.29 -2.021 0 C-N-CA 119.485 -0.886 . . . . 2.31 109.056 -179.096 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -88.48 -37.61 15.65 Favored 'General case' 0 C--N 1.307 -1.24 0 CA-C-N 115.968 -0.56 . . . . 1.67 110.45 -179.581 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.563 HD13 HG11 ' A' ' 15' ' ' VAL . 78.0 mt -84.89 169.15 14.38 Favored 'General case' 0 CA--C 1.506 -0.728 0 C-N-CA 120.434 -0.506 . . . . 0.69 112.12 -177.258 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -92.77 17.3 10.64 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.43 -0.805 . . . . 2.15 110.696 -178.792 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.489 ' HB ' ' O ' ' A' ' 32' ' ' PHE . 59.4 t -82.05 123.2 37.89 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.43 0 N-CA-C 106.864 -1.532 . . . . 2.23 106.864 177.669 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -48.83 -69.32 0.12 Allowed 'General case' 0 CA--C 1.493 -1.223 0 O-C-N 124.173 0.921 . . . . 2.96 110.622 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 44.0 p 157.87 -51.05 0.0 OUTLIER 'General case' 0 C--O 1.217 -0.656 0 C-N-CA 127.143 2.177 . . . . 1.19 108.689 173.583 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.1 mp -59.62 -31.78 69.81 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-O 122.432 1.111 . . . . 1.34 108.638 178.057 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 36.9 t -68.02 -29.76 68.84 Favored 'General case' 0 CA--C 1.562 1.424 0 CA-C-N 113.979 -1.464 . . . . 1.26 112.214 176.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.421 ' O ' ' HG2' ' A' ' 43' ' ' MET . 27.4 ttp -68.46 -21.06 64.65 Favored 'General case' 0 N--CA 1.483 1.224 0 O-C-N 121.482 -0.761 . . . . 0.97 110.698 -176.591 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.502 ' HA ' HG12 ' A' ' 47' ' ' VAL . 36.5 t -58.53 -25.98 29.6 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.468 0 CA-C-N 115.959 -0.564 . . . . 0.65 111.404 -179.137 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -77.27 -28.03 53.32 Favored 'General case' 0 C--O 1.222 -0.342 0 CA-C-O 121.456 0.646 . . . . 2.06 110.248 175.004 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.606 ' HA ' HG21 ' A' ' 14' ' ' ILE . 57.8 t -73.66 -56.69 8.61 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.068 0 CA-C-N 115.4 -0.818 . . . . 1.43 109.444 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.502 HG12 ' HA ' ' A' ' 44' ' ' VAL . 12.3 p -56.87 -38.01 56.95 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.953 0 N-CA-C 112.743 0.646 . . . . 0.53 112.743 -176.824 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 9.5 p -69.93 -30.93 46.16 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 CA-C-O 121.142 0.496 . . . . 0.65 110.646 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.496 ' O ' ' HG2' ' A' ' 53' ' ' ARG . . . -79.56 -29.95 41.53 Favored 'General case' 0 C--O 1.212 -0.904 0 CA-C-O 121.41 0.624 . . . . 0.32 109.692 177.764 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.78 -35.11 79.53 Favored 'General case' 0 C--N 1.309 -1.177 0 O-C-N 122.113 -0.367 . . . . 0.36 111.424 179.691 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -55.66 -47.3 76.93 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-O 120.942 0.401 . . . . 0.78 111.088 178.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -75.54 -37.3 60.13 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 116.3 -0.409 . . . . 0.96 112.036 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.764 ' HG3' HD11 ' A' ' 14' ' ' ILE . 10.3 mmm180 -64.12 -44.54 91.92 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 112.759 0.652 . . . . 3.85 112.759 -176.722 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -99.76 6.75 45.43 Favored 'General case' 0 C--N 1.31 -1.144 0 N-CA-C 112.337 0.495 . . . . 0.4 112.337 -174.24 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 32.6 t70 57.28 63.81 1.78 Allowed 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 122.444 1.116 . . . . 1.95 109.768 -178.067 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.757 HG22 ' H ' ' A' ' 57' ' ' LYS . 9.3 p -145.64 -170.43 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.426 -1.632 0 CA-C-N 115.169 -0.923 . . . . 1.37 108.797 -175.704 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.757 ' H ' HG22 ' A' ' 56' ' ' VAL . 65.5 tttp -151.87 129.08 11.18 Favored 'General case' 0 C--N 1.297 -1.7 0 N-CA-C 105.794 -1.928 . . . . 3.34 105.794 179.041 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 59.2 mt -131.1 115.22 16.42 Favored Pre-proline 0 C--N 1.294 -1.816 0 N-CA-C 108.854 -0.795 . . . . 0.57 108.854 -175.772 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.568 ' HD3' ' OH ' ' A' ' 75' ' ' TYR . 7.5 Cg_exo -72.82 136.73 25.82 Favored 'Trans proline' 0 N--CA 1.445 -1.342 0 C-N-CA 122.326 2.017 . . . . 0.63 110.469 178.465 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -56.33 -28.74 59.92 Favored 'General case' 0 N--CA 1.482 1.173 0 CA-C-O 121.701 0.763 . . . . 2.3 110.745 178.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -59.51 -48.08 83.03 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.238 -0.892 . . . . 2.38 110.135 174.402 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -80.61 -20.08 44.03 Favored 'General case' 0 C--O 1.215 -0.741 0 CA-C-N 115.331 -0.85 . . . . 1.52 110.942 -173.839 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 59' ' ' PRO . 84.4 t -56.84 -43.29 79.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 N-CA-C 109.168 -0.678 . . . . 0.79 109.168 174.105 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 36.7 mtmm -75.36 -9.12 58.28 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.81 -0.632 . . . . 1.24 112.002 179.584 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -91.72 -29.21 16.95 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 109.482 -0.562 . . . . 2.07 109.482 178.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 91.5 mt -77.54 170.32 16.77 Favored 'General case' 0 C--O 1.24 0.605 0 CA-C-N 116.19 -0.459 . . . . 0.6 110.147 -179.667 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.0 pttp -139.72 -80.46 0.29 Allowed 'General case' 0 C--N 1.31 -1.14 0 N-CA-C 114.836 1.421 . . . . 2.69 114.836 -176.503 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.494 HG22 ' HB3' ' A' ' 31' ' ' SER . 69.1 p -90.75 -178.67 5.32 Favored 'General case' 0 C--N 1.306 -1.313 0 O-C-N 121.724 -0.61 . . . . 0.46 110.238 -176.797 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 34.2 m -81.09 -15.18 12.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 C-N-CA 120.202 -0.599 . . . . 0.66 109.598 176.817 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -85.76 -20.19 56.49 Favored Glycine 0 N--CA 1.444 -0.793 0 N-CA-C 109.604 -1.398 . . . . 0.46 109.604 176.159 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -83.51 -47.01 11.8 Favored 'General case' 0 C--N 1.306 -1.321 0 CA-C-N 114.795 -0.703 . . . . 1.62 109.356 175.27 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.12 -39.66 87.02 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.148 -0.933 . . . . 0.51 111.319 -178.341 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -55.72 -44.09 77.18 Favored 'General case' 0 C--O 1.216 -0.686 0 C-N-CA 122.713 0.405 . . . . 0.46 111.945 179.021 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -55.66 -37.0 67.68 Favored 'General case' 0 N--CA 1.451 -0.409 0 O-C-N 123.854 0.721 . . . . 3.54 111.044 -179.538 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.568 ' OH ' ' HD3' ' A' ' 59' ' ' PRO . 49.4 t80 -80.02 -50.78 9.89 Favored 'General case' 0 N--CA 1.446 -0.636 0 C-N-CA 120.704 -0.398 . . . . 0.83 111.19 177.432 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.409 HG23 HG11 ' A' ' 56' ' ' VAL . 90.7 mt -55.87 -57.57 7.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 C-N-CA 122.78 0.432 . . . . 0.65 110.75 -178.088 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 61.0 tp -57.98 -29.02 64.89 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 123.944 0.898 . . . . 1.74 112.045 -178.476 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 27.2 t70 . . . . . 0 C--N 1.311 -1.078 0 C-N-CA 119.807 -0.757 . . . . 1.32 111.784 -177.063 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ALA . . . . . 0.418 ' HB1' ' HB2' ' A' ' 6' ' ' GLU . . . . . . . . 0 N--CA 1.447 -0.581 0 N-CA-C 108.365 -0.976 . . . . 1.12 108.365 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.59 ' O ' HG12 ' A' ' 7' ' ' ILE . 3.6 m -119.64 177.71 4.84 Favored 'General case' 0 C--N 1.304 -1.373 0 CA-C-O 117.945 -1.026 . . . . 1.57 108.762 178.753 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.544 ' H ' HG22 ' A' ' 3' ' ' THR . 8.0 tt0 -42.98 -56.49 3.28 Favored 'General case' 0 N--CA 1.485 1.287 0 N-CA-C 114.61 1.337 . . . . 1.76 114.61 -172.842 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -74.41 -30.22 61.84 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 109.668 -0.493 . . . . 3.05 109.668 -175.056 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.505 ' HB2' ' H ' ' A' ' 3' ' ' THR . 21.2 mm-40 -71.19 -33.06 69.6 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.718 -0.674 . . . . 2.53 109.324 178.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.59 HG12 ' O ' ' A' ' 3' ' ' THR . 41.3 mm -61.49 -54.53 33.71 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.915 0 N-CA-C 107.541 -1.281 . . . . 0.45 107.541 174.637 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 91.5 t -51.52 -53.86 14.49 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 CA-C-N 115.488 -0.778 . . . . 0.57 110.275 177.429 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.48 -38.48 80.93 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.78 -0.645 . . . . 0.48 111.852 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -68.67 -33.64 76.54 Favored Glycine 0 C--O 1.214 -1.154 0 N-CA-C 111.007 -0.837 . . . . 0.37 111.007 179.532 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.476 ' O ' HG23 ' A' ' 15' ' ' VAL . 90.4 mt -67.59 -55.07 14.83 Favored 'General case' 0 C--N 1.306 -1.287 0 N-CA-C 109.055 -0.72 . . . . 0.33 109.055 175.344 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.413 ' HA ' ' HB ' ' A' ' 15' ' ' VAL . . . -59.82 -30.57 69.03 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.841 -1.072 . . . . 0.28 113.752 -175.051 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.637 ' HG3' HD12 ' A' ' 14' ' ' ILE . 12.2 pt-20 -66.07 -41.2 91.04 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.196 -0.602 . . . . 2.48 111.03 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.637 HD12 ' HG3' ' A' ' 13' ' ' GLU . 4.7 mp -77.86 -32.04 17.46 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.082 0 C-N-CA 118.906 -1.118 . . . . 0.44 109.312 176.103 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 11' ' ' LEU . 75.7 t -62.76 -30.09 48.58 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.397 0 CA-C-O 121.752 0.787 . . . . 0.34 110.448 177.1 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -68.89 -28.67 66.89 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 115.597 -0.729 . . . . 0.95 110.341 175.687 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -82.24 -42.86 18.36 Favored 'General case' 0 C--N 1.309 -1.177 0 CA-C-N 116.239 -0.437 . . . . 2.11 109.846 178.034 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.698 HG13 ' HB ' ' A' ' 46' ' ' VAL . 48.3 mm -62.8 -53.06 51.75 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 CA-C-N 115.908 -0.587 . . . . 0.71 110.706 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.402 ' HB3' HG12 ' A' ' 38' ' ' VAL . . . -118.04 -58.4 2.01 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-O 120.888 0.375 . . . . 0.68 110.633 -178.379 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 120.12 65.0 0.27 Allowed Glycine 0 N--CA 1.438 -1.169 0 C-N-CA 119.77 -1.205 . . . . 0.93 112.847 -179.146 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.432 HG13 HG12 ' A' ' 15' ' ' VAL . 1.9 pp -102.87 156.79 34.86 Favored Pre-proline 0 C--N 1.307 -1.245 0 N-CA-C 109.75 -0.463 . . . . 0.6 109.75 174.296 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.653 ' HB2' ' HB2' ' A' ' 25' ' ' ASP . 24.2 Cg_exo -64.93 128.48 20.88 Favored 'Trans proline' 0 N--CA 1.443 -1.452 0 C-N-CA 121.473 1.448 . . . . 0.75 108.975 174.673 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 12.2 p -74.42 -9.22 12.69 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.062 0 CA-C-O 122.206 1.003 . . . . 1.48 110.369 -175.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -92.51 -18.42 23.19 Favored 'General case' 0 C--N 1.305 -1.329 0 CA-C-N 114.554 -1.203 . . . . 2.03 109.958 177.121 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.653 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 24.8 t70 -84.7 -23.82 29.21 Favored 'General case' 0 CA--C 1.505 -0.771 0 CA-C-N 115.822 -0.626 . . . . 1.07 111.38 -170.476 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.839 ' HA ' ' HG3' ' A' ' 30' ' ' LYS . 38.9 t -78.52 87.13 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.299 -1.6 0 CA-C-O 121.803 0.811 . . . . 0.73 110.716 -176.61 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 47.8 mtmt -94.37 177.92 5.79 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 107.625 -1.25 . . . . 2.83 107.625 173.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.461 ' HA ' HG23 ' A' ' 69' ' ' VAL . 3.6 mm? -65.49 -15.35 62.57 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 113.165 0.802 . . . . 1.07 113.165 -174.182 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -85.29 0.49 51.81 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 111.835 0.309 . . . . 2.47 111.835 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.839 ' HG3' ' HA ' ' A' ' 26' ' ' VAL . 74.7 mmtt -84.81 128.15 34.47 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-N 116.326 -0.397 . . . . 1.06 111.836 -179.144 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.662 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 1.8 p -112.27 154.33 25.8 Favored 'General case' 0 C--N 1.288 -2.09 0 N-CA-C 107.04 -1.467 . . . . 1.31 107.04 173.192 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.627 ' HA ' HD12 ' A' ' 36' ' ' LEU . 77.2 m-85 -74.35 -53.48 9.57 Favored 'General case' 0 CA--C 1.479 -1.758 0 N-CA-C 112.645 0.609 . . . . 1.03 112.645 -161.766 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.55 HG21 ' HB3' ' A' ' 40' ' ' SER . 6.1 p -118.42 30.52 7.17 Favored 'General case' 0 N--CA 1.402 -2.87 0 C-N-CA 118.913 -1.115 . . . . 1.37 110.942 176.305 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.541 ' HB2' ' OG ' ' A' ' 31' ' ' SER . 16.4 m-20 -118.82 -36.64 3.4 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 114.911 -1.04 . . . . 2.31 108.874 176.003 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -123.09 -25.04 4.59 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 120.383 -0.527 . . . . 1.67 111.733 -179.056 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.627 HD12 ' HA ' ' A' ' 32' ' ' PHE . 89.9 mt -84.16 -175.79 5.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.037 0.446 . . . . 0.69 111.951 -177.14 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -129.89 77.84 1.81 Allowed 'General case' 0 CA--C 1.483 -1.603 0 CA-C-N 115.683 -0.69 . . . . 2.15 109.46 -177.576 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.402 HG12 ' HB3' ' A' ' 19' ' ' ALA . 27.2 m -134.95 175.76 10.3 Favored 'Isoleucine or valine' 0 N--CA 1.414 -2.229 0 CA-C-N 114.926 -1.034 . . . . 2.23 110.621 178.436 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.416 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 11.5 t70 -94.13 132.76 38.33 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 105.711 -1.959 . . . . 2.96 105.711 170.828 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.55 ' HB3' HG21 ' A' ' 33' ' ' THR . 66.6 p -65.19 -52.59 53.94 Favored 'General case' 0 C--N 1.293 -1.851 0 N-CA-C 112.133 0.42 . . . . 1.19 112.133 -174.323 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.0 mp -61.05 -27.4 68.31 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.547 0.689 . . . . 1.34 110.439 -178.792 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.416 ' HB2' ' HB3' ' A' ' 39' ' ' ASP . 25.2 m -79.8 -13.39 59.46 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 115.897 -0.592 . . . . 1.26 112.363 176.813 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.43 ' HA ' HG12 ' A' ' 46' ' ' VAL . 36.6 ttp -68.93 -24.79 64.32 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 107.782 -1.192 . . . . 0.97 107.782 174.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.461 ' HA ' HG12 ' A' ' 47' ' ' VAL . 47.3 t -66.43 -23.53 31.72 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.235 0 CA-C-N 114.663 -1.153 . . . . 0.65 109.579 178.141 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -78.9 -35.45 43.56 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 115.466 -0.788 . . . . 2.06 110.113 178.619 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.698 ' HB ' HG13 ' A' ' 18' ' ' ILE . 7.6 p -78.13 -41.2 26.67 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.438 0 O-C-N 121.872 -0.517 . . . . 1.43 111.496 178.744 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.495 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 7.5 p -61.27 -39.43 82.58 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 C-N-CA 120.819 -0.352 . . . . 0.53 111.594 -178.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.421 ' HA ' ' OE2' ' A' ' 51' ' ' GLU . 12.7 p -67.72 -25.55 33.03 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.823 0 CA-C-O 121.397 0.618 . . . . 0.65 110.824 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.54 ' O ' ' HG2' ' A' ' 53' ' ' ARG . . . -86.17 -26.19 25.29 Favored 'General case' 0 C--O 1.217 -0.618 0 CA-C-O 121.405 0.621 . . . . 0.32 109.766 177.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.22 -34.1 70.5 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-N 116.086 -0.506 . . . . 0.36 110.531 179.563 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.538 ' HA ' HG23 ' A' ' 56' ' ' VAL . 42.3 mt-10 -55.61 -45.75 77.43 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 115.853 -0.612 . . . . 0.78 110.882 178.496 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -76.64 -18.88 58.34 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 116.004 -0.544 . . . . 0.96 111.909 -178.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.54 ' HG2' ' O ' ' A' ' 49' ' ' ALA . 80.3 mmt-85 -80.29 -51.61 8.69 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.806 0.336 . . . . 3.85 110.614 179.165 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.443 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 46.9 m-85 -89.25 7.93 32.94 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 113.102 0.779 . . . . 0.4 113.102 -172.736 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 65.11 30.09 11.72 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 121.325 0.583 . . . . 1.95 111.383 178.399 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.538 HG23 ' HA ' ' A' ' 51' ' ' GLU . 17.3 m -114.64 -173.0 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.286 -0.87 . . . . 1.37 111.774 -178.418 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -148.66 129.26 14.04 Favored 'General case' 0 N--CA 1.421 -1.922 0 N-CA-C 105.52 -2.03 . . . . 3.34 105.52 171.013 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 45.9 mt -123.43 103.3 35.4 Favored Pre-proline 0 C--N 1.288 -2.1 0 N-CA-C 109.169 -0.678 . . . . 0.57 109.169 -175.088 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -63.92 138.42 62.81 Favored 'Trans proline' 0 N--CA 1.452 -0.92 0 C-N-CA 122.749 2.3 . . . . 0.63 111.007 178.184 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.48 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 6.2 m-20 -53.98 -36.36 62.82 Favored 'General case' 0 C--N 1.317 -0.845 0 C-N-CA 124.174 0.989 . . . . 2.3 113.196 -175.037 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -70.77 -32.57 69.75 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.565 -0.454 . . . . 2.38 111.299 -179.44 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -70.49 -35.63 73.36 Favored 'General case' 0 CA--C 1.505 -0.783 0 N-CA-C 109.607 -0.516 . . . . 1.52 109.607 177.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 94.5 t -56.76 -54.11 33.45 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.587 0 CA-C-N 115.098 -0.955 . . . . 0.79 109.109 176.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.48 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 66.5 mttm -61.07 -19.31 61.27 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.858 0.863 . . . . 1.24 111.694 -174.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -88.63 -12.67 41.89 Favored 'General case' 0 C--N 1.308 -1.237 0 CA-C-N 115.747 -0.66 . . . . 2.07 112.778 -178.296 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.445 HD22 ' HB3' ' A' ' 71' ' ' ASP . 87.7 mt -90.68 178.21 6.13 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 120.447 -0.501 . . . . 0.6 111.433 -177.384 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.478 ' HB2' ' OD1' ' A' ' 71' ' ' ASP . 9.9 mtmp? -130.36 -73.39 0.55 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.388 0.613 . . . . 2.69 111.745 -175.487 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.662 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 77.2 p -102.25 -172.44 2.14 Favored 'General case' 0 N--CA 1.434 -1.272 0 CA-C-O 121.238 0.542 . . . . 0.46 110.842 -175.665 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.474 HG12 ' CZ ' ' A' ' 32' ' ' PHE . 35.5 m -77.89 -13.51 14.0 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.33 0 N-CA-C 108.772 -0.825 . . . . 0.66 108.772 171.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.463 ' O ' ' HG2' ' A' ' 74' ' ' LYS . . . -73.18 -41.69 46.03 Favored Glycine 0 N--CA 1.435 -1.385 0 N-CA-C 108.504 -1.838 . . . . 0.46 108.504 174.448 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.478 ' OD1' ' HB2' ' A' ' 67' ' ' LYS . 5.1 m-20 -66.18 -40.58 90.57 Favored 'General case' 0 CA--C 1.508 -0.664 0 CA-C-O 121.578 0.704 . . . . 1.62 109.249 175.878 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.439 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -63.84 -48.96 74.68 Favored 'General case' 0 N--CA 1.437 -1.079 0 CA-C-N 114.851 -1.068 . . . . 0.51 109.849 -177.193 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.604 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 8.7 p -58.01 -50.52 73.15 Favored 'General case' 0 N--CA 1.427 -1.589 0 CA-C-O 118.827 -0.606 . . . . 0.46 112.444 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.463 ' HG2' ' O ' ' A' ' 70' ' ' GLY . 46.7 mmtm -49.55 -45.98 48.25 Favored 'General case' 0 N--CA 1.478 0.97 0 O-C-N 123.874 0.734 . . . . 3.54 111.241 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -70.01 -56.73 6.22 Favored 'General case' 0 C--O 1.243 0.751 0 CA-C-N 115.726 -0.67 . . . . 0.83 111.234 179.406 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 99.1 mt -57.99 -56.16 17.54 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.708 0 CA-C-N 115.798 -0.637 . . . . 0.65 112.041 -174.278 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.604 ' HG ' ' O ' ' A' ' 73' ' ' THR . 3.9 pp -60.1 -22.2 62.48 Favored 'General case' 0 CA--C 1.519 -0.224 0 N-CA-C 112.569 0.581 . . . . 1.74 112.569 -174.179 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 13.7 t70 . . . . . 0 C--N 1.32 -0.691 0 CA-C-O 121.449 0.643 . . . . 1.32 110.503 -179.662 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.243 0.718 0 N-CA-C 109.426 -0.583 . . . . 1.12 109.426 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.565 ' O ' HG12 ' A' ' 7' ' ' ILE . 0.9 OUTLIER -94.61 177.48 5.91 Favored 'General case' 0 C--O 1.205 -1.247 0 CA-C-O 118.761 -0.638 . . . . 1.57 110.623 -176.424 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.469 ' HG2' ' HB ' ' A' ' 73' ' ' THR . 49.5 mt-30 -45.25 -56.31 4.97 Favored 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 115.459 1.652 . . . . 1.76 115.459 -171.273 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -65.61 -38.73 90.3 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-O 121.391 0.615 . . . . 3.05 110.092 -176.219 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -70.2 -34.81 73.4 Favored 'General case' 0 C--N 1.306 -1.288 0 CA-C-N 114.818 -1.083 . . . . 2.53 109.319 -179.148 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.565 HG12 ' O ' ' A' ' 3' ' ' THR . 36.4 mm -64.09 -53.26 45.88 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.947 0 N-CA-C 108.366 -0.976 . . . . 0.45 108.366 175.426 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.528 ' HA ' HD12 ' A' ' 11' ' ' LEU . 78.0 t -53.03 -47.89 53.41 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 123.576 0.75 . . . . 0.57 110.768 178.765 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.45 -39.75 73.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.886 -0.597 . . . . 0.48 110.683 177.449 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.422 ' C ' ' HZ ' ' A' ' 54' ' ' PHE . . . -70.98 -43.73 56.95 Favored Glycine 0 C--O 1.214 -1.116 0 N-CA-C 110.767 -0.933 . . . . 0.37 110.767 178.119 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.528 HD12 ' HA ' ' A' ' 8' ' ' VAL . 94.9 mt -52.8 -48.28 67.01 Favored 'General case' 0 CA--C 1.5 -0.968 0 C-N-CA 123.935 0.894 . . . . 0.33 110.859 -179.503 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.68 -36.26 73.92 Favored 'General case' 0 C--O 1.214 -0.805 0 CA-C-N 115.381 -0.827 . . . . 0.28 111.851 -178.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -58.92 -34.27 71.51 Favored 'General case' 0 CA--C 1.517 -0.326 0 O-C-N 123.507 0.504 . . . . 2.48 110.68 -179.69 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.594 ' HB ' HG23 ' A' ' 46' ' ' VAL . 4.5 mp -84.83 -38.96 13.81 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.376 0 C-N-CA 119.426 -0.91 . . . . 0.44 109.238 176.3 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 11' ' ' LEU . 20.4 t -60.06 -23.89 28.49 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.203 0 O-C-N 121.928 -0.483 . . . . 0.34 111.023 179.376 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 20.7 m120 -63.17 -49.05 75.83 Favored 'General case' 0 CA--C 1.503 -0.85 0 O-C-N 121.879 -0.513 . . . . 0.95 111.361 174.344 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -78.11 -24.04 47.66 Favored 'General case' 0 C--N 1.304 -1.401 0 C-N-CA 120.344 -0.542 . . . . 2.11 111.73 -176.518 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.719 HG13 ' HB ' ' A' ' 46' ' ' VAL . 48.1 mm -80.61 -53.0 13.5 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 CA-C-N 116.336 -0.393 . . . . 0.71 110.153 179.224 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -117.18 -57.07 2.19 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-O 120.978 0.418 . . . . 0.68 111.146 -177.665 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 112.39 95.15 2.21 Favored Glycine 0 C--N 1.305 -1.184 0 N-CA-C 110.496 -1.042 . . . . 0.93 110.496 -176.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.7 pp -133.71 161.93 60.74 Favored Pre-proline 0 C--N 1.3 -1.565 0 N-CA-C 111.916 0.339 . . . . 0.6 111.916 -177.76 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -77.33 130.05 10.73 Favored 'Trans proline' 0 N--CA 1.437 -1.795 0 N-CA-C 108.07 -1.55 . . . . 0.75 108.07 170.095 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 27.5 m -68.83 -25.15 29.67 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.189 0 N-CA-C 111.969 0.359 . . . . 1.48 111.969 -176.257 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -83.07 -9.04 59.45 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-O 121.579 0.704 . . . . 2.03 110.273 177.766 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.703 ' O ' ' HE3' ' A' ' 30' ' ' LYS . 17.7 t70 -83.16 -37.23 23.98 Favored 'General case' 0 N--CA 1.432 -1.353 0 N-CA-C 108.113 -1.069 . . . . 1.07 108.113 178.675 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.423 HG12 HG13 ' A' ' 8' ' ' VAL . 33.1 t -72.75 86.64 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-O 121.801 0.81 . . . . 0.73 109.791 179.763 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.563 ' H ' ' HG3' ' A' ' 30' ' ' LYS . 59.2 mttp -97.1 -164.4 1.14 Allowed 'General case' 0 C--N 1.307 -1.273 0 CA-C-N 114.093 -1.412 . . . . 2.83 108.666 178.265 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -79.25 -33.25 43.74 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 113.582 0.956 . . . . 1.07 113.582 -177.776 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -97.63 71.28 2.26 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-O 122.523 1.154 . . . . 2.47 108.688 177.17 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.703 ' HE3' ' O ' ' A' ' 25' ' ' ASP . 62.3 mmtt -138.34 141.46 39.73 Favored 'General case' 0 C--N 1.305 -1.328 0 CA-C-N 113.279 -1.782 . . . . 1.06 110.073 -179.513 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.573 ' HB3' ' HB3' ' A' ' 34' ' ' ASP . 15.5 t -129.67 150.57 50.93 Favored 'General case' 0 C--N 1.28 -2.445 0 N-CA-C 107.329 -1.36 . . . . 1.31 107.329 175.323 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.621 ' HA ' HD12 ' A' ' 36' ' ' LEU . 85.6 m-85 -69.53 -42.96 73.95 Favored 'General case' 0 CA--C 1.493 -1.219 0 CA-C-O 121.267 0.556 . . . . 1.03 111.563 -166.394 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.552 ' HA ' HG22 ' A' ' 38' ' ' VAL . 34.7 p -110.91 28.82 8.34 Favored 'General case' 0 N--CA 1.405 -2.699 0 C-N-CA 119.594 -0.842 . . . . 1.37 111.787 -178.502 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.573 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 11.3 t70 -133.93 -43.28 0.81 Allowed 'General case' 0 C--N 1.29 -1.986 0 CA-C-N 115.398 -0.819 . . . . 2.31 110.392 178.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.418 ' HB3' ' HD3' ' A' ' 30' ' ' LYS . 1.2 t0 -119.87 0.13 10.78 Favored 'General case' 0 C--N 1.311 -1.096 0 C-N-CA 119.919 -0.712 . . . . 1.67 111.164 -175.52 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.621 HD12 ' HA ' ' A' ' 32' ' ' PHE . 35.4 mt -111.36 -163.75 0.87 Allowed 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.088 -0.645 . . . . 0.69 110.913 -176.397 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -64.01 -23.66 67.42 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.239 0.616 . . . . 2.15 110.267 179.481 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.552 HG22 ' HA ' ' A' ' 33' ' ' THR . 88.4 t 76.08 84.46 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.437 -1.1 0 C-N-CA 125.32 1.448 . . . . 2.23 112.298 179.034 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.908 ' HB2' ' HB3' ' A' ' 42' ' ' SER . 12.4 p-10 -108.38 102.5 11.6 Favored 'General case' 0 C--N 1.272 -2.797 0 N-CA-C 106.465 -1.68 . . . . 2.96 106.465 167.006 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 81.6 p -81.55 -53.17 6.49 Favored 'General case' 0 C--N 1.286 -2.163 0 CA-C-N 115.346 -0.843 . . . . 1.19 112.103 -169.554 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.446 ' HA ' HD12 ' A' ' 41' ' ' LEU . 9.0 tp -88.79 -34.92 16.91 Favored 'General case' 0 N--CA 1.396 -3.15 0 CA-C-O 121.98 0.895 . . . . 1.34 109.734 179.729 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.908 ' HB3' ' HB2' ' A' ' 39' ' ' ASP . 28.1 t -63.1 -24.17 67.78 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-N 114.379 -1.282 . . . . 1.26 111.325 -178.207 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.518 ' HB2' ' O ' ' A' ' 39' ' ' ASP . 22.7 ttp -61.24 -22.15 64.54 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 120.911 0.386 . . . . 0.97 111.836 -178.36 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.495 ' HA ' HG12 ' A' ' 47' ' ' VAL . 60.5 t -56.89 -32.7 39.81 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 CA-C-O 121.369 0.604 . . . . 0.65 109.991 178.304 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -72.35 -37.11 68.9 Favored 'General case' 0 N--CA 1.432 -1.325 0 CA-C-N 115.889 -0.596 . . . . 2.06 111.749 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.719 ' HB ' HG13 ' A' ' 18' ' ' ILE . 7.5 p -77.56 -32.12 18.12 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.613 0 C-N-CA 119.792 -0.763 . . . . 1.43 111.209 178.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.495 HG12 ' HA ' ' A' ' 44' ' ' VAL . 14.1 p -70.94 -38.67 73.27 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 C-N-CA 119.329 -0.949 . . . . 0.53 111.098 178.572 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 9.1 p -70.43 -30.68 43.91 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.615 0 CA-C-O 121.426 0.632 . . . . 0.65 109.554 177.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.519 ' O ' ' HG2' ' A' ' 53' ' ' ARG . . . -74.01 -30.2 62.34 Favored 'General case' 0 C--O 1.211 -0.963 0 CA-C-N 116.034 -0.53 . . . . 0.32 110.227 177.517 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.33 -35.85 80.36 Favored 'General case' 0 C--N 1.31 -1.152 0 CA-C-O 120.745 0.307 . . . . 0.36 110.574 179.483 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.499 ' OE1' ' HG3' ' A' ' 57' ' ' LYS . 32.2 mt-10 -56.19 -56.06 25.5 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.303 0.573 . . . . 0.78 110.468 177.277 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -70.99 -25.7 62.82 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.186 -0.915 . . . . 0.96 112.626 -175.547 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.519 ' HG2' ' O ' ' A' ' 49' ' ' ALA . 25.4 mmt180 -88.25 -28.61 21.0 Favored 'General case' 0 C--N 1.318 -0.766 0 C-N-CA 120.554 -0.458 . . . . 3.85 112.132 -177.324 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.422 ' HZ ' ' C ' ' A' ' 10' ' ' GLY . 78.4 m-85 -111.41 11.5 21.49 Favored 'General case' 0 C--O 1.242 0.663 0 N-CA-C 113.397 0.888 . . . . 0.4 113.397 -175.128 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 66.53 30.23 8.63 Favored 'General case' 0 N--CA 1.496 1.842 0 C-N-CA 123.321 0.649 . . . . 1.95 110.451 178.233 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.694 HG22 ' H ' ' A' ' 57' ' ' LYS . 9.1 p -123.48 -175.01 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.299 -1.603 0 C-N-CA 120.419 -0.512 . . . . 1.37 110.164 -173.812 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.694 ' H ' HG22 ' A' ' 56' ' ' VAL . 13.9 ttmm -151.47 134.39 15.76 Favored 'General case' 0 N--CA 1.422 -1.843 0 N-CA-C 107.442 -1.318 . . . . 3.34 107.442 175.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 53.7 mt -133.63 113.59 13.02 Favored Pre-proline 0 C--N 1.31 -1.129 0 N-CA-C 109.381 -0.6 . . . . 0.57 109.381 -176.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.553 ' O ' HG23 ' A' ' 63' ' ' VAL . 39.0 Cg_exo -61.9 143.26 95.42 Favored 'Trans proline' 0 C--O 1.234 0.3 0 C-N-CA 123.303 2.669 . . . . 0.63 111.181 176.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -56.05 -38.49 70.68 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 124.009 0.924 . . . . 2.3 112.483 -175.331 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -76.08 -25.67 55.74 Favored 'General case' 0 C--N 1.315 -0.905 0 C-N-CA 120.517 -0.473 . . . . 2.38 111.999 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.44 ' HA ' ' HB3' ' A' ' 65' ' ' ASN . 2.2 t70 -79.25 -27.76 42.38 Favored 'General case' 0 C--O 1.219 -0.54 0 N-CA-C 108.607 -0.886 . . . . 1.52 108.607 -178.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 59' ' ' PRO . 58.8 t -57.34 -57.59 9.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 N-CA-C 108.266 -1.013 . . . . 0.79 108.266 174.235 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -64.24 -17.1 63.26 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 115.198 -0.91 . . . . 1.24 110.933 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.44 ' HB3' ' HA ' ' A' ' 62' ' ' ASP . 2.3 t30 -76.72 -30.43 56.63 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 115.481 -0.781 . . . . 2.07 111.098 177.036 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.556 HD13 ' HA ' ' A' ' 72' ' ' ALA . 90.0 mt -82.77 -177.81 6.87 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.522 -0.547 . . . . 0.6 109.522 -178.547 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.571 ' HG3' ' OD2' ' A' ' 71' ' ' ASP . 19.2 pttp -143.45 -60.61 0.41 Allowed 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 113.023 0.749 . . . . 2.69 113.023 178.735 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.503 HG22 ' HB2' ' A' ' 31' ' ' SER . 48.5 p -101.63 -177.83 3.54 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 119.758 -0.777 . . . . 0.46 110.806 -178.617 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 28.7 m -77.78 -15.9 14.18 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.025 0 N-CA-C 109.029 -0.73 . . . . 0.66 109.029 173.564 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -74.82 -37.43 44.7 Favored Glycine 0 N--CA 1.432 -1.617 0 N-CA-C 109.602 -1.399 . . . . 0.46 109.602 177.345 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.571 ' OD2' ' HG3' ' A' ' 67' ' ' LYS . 20.5 m-20 -74.73 -34.41 62.56 Favored 'General case' 0 CA--C 1.507 -0.706 0 N-CA-C 108.832 -0.803 . . . . 1.62 108.832 177.715 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.556 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -66.58 -51.55 55.23 Favored 'General case' 0 N--CA 1.436 -1.166 0 CA-C-N 114.62 -1.173 . . . . 0.51 110.504 -177.118 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.549 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 19.6 p -56.45 -40.17 74.35 Favored 'General case' 0 N--CA 1.439 -1.024 0 O-C-N 123.671 0.607 . . . . 0.46 112.52 -178.345 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -59.02 -49.66 77.04 Favored 'General case' 0 CA--C 1.514 -0.425 0 O-C-N 123.606 0.566 . . . . 3.54 110.649 178.13 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -65.87 -41.5 91.54 Favored 'General case' 0 C--O 1.244 0.808 0 CA-C-O 121.223 0.535 . . . . 0.83 110.829 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.626 ' HA ' HG21 ' A' ' 56' ' ' VAL . 92.2 mt -59.69 -57.12 13.03 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.953 0 CA-C-N 115.673 -0.694 . . . . 0.65 111.078 179.522 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' A' ' 73' ' ' THR . 3.8 pp -64.38 -21.82 66.75 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.363 0.601 . . . . 1.74 112.462 -179.158 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 33.9 t70 . . . . . 0 C--N 1.312 -1.024 0 CA-C-N 115.122 -0.944 . . . . 1.32 110.556 178.883 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ALA . . . . . 0.564 ' HB1' ' HB2' ' A' ' 6' ' ' GLU . . . . . . . . 0 N--CA 1.443 -0.81 0 N-CA-C 108.785 -0.82 . . . . 1.12 108.785 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.576 ' O ' HG12 ' A' ' 7' ' ' ILE . 14.6 t -89.09 176.12 7.11 Favored 'General case' 0 C--O 1.194 -1.863 0 C-N-CA 119.456 -0.898 . . . . 1.57 111.668 -177.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -57.76 -29.56 64.9 Favored 'General case' 0 CA--C 1.498 -1.037 0 O-C-N 123.934 0.771 . . . . 1.76 110.037 -178.405 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -69.38 -42.34 75.28 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-O 121.532 0.682 . . . . 3.05 110.687 -179.512 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.564 ' HB2' ' HB1' ' A' ' 2' ' ' ALA . 38.0 mt-10 -83.04 -24.66 32.68 Favored 'General case' 0 C--N 1.295 -1.799 0 CA-C-N 114.351 -1.295 . . . . 2.53 109.195 -177.471 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.576 HG12 ' O ' ' A' ' 3' ' ' THR . 34.6 mm -72.6 -51.79 26.53 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.047 0 N-CA-C 108.94 -0.763 . . . . 0.45 108.94 179.142 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.512 HG13 HG12 ' A' ' 26' ' ' VAL . 53.0 t -52.51 -46.97 48.69 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 CA-C-N 116.019 -0.537 . . . . 0.57 109.951 177.021 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.534 ' O ' ' HG3' ' A' ' 13' ' ' GLU . . . -53.91 -46.98 71.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.372 -0.831 . . . . 0.48 111.209 179.012 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.97 -43.29 96.13 Favored Glycine 0 C--N 1.338 0.648 0 N-CA-C 111.005 -0.838 . . . . 0.37 111.005 -178.203 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.426 HD21 HD11 ' A' ' 76' ' ' ILE . 96.9 mt -57.15 -47.82 80.22 Favored 'General case' 0 C--O 1.244 0.802 0 C-N-CA 123.443 0.697 . . . . 0.33 110.931 179.798 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.05 -23.53 62.16 Favored 'General case' 0 N--CA 1.429 -1.496 0 CA-C-N 115.327 -0.851 . . . . 0.28 112.216 -177.345 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.534 ' HG3' ' O ' ' A' ' 9' ' ' ALA . 49.0 mt-10 -62.91 -39.77 95.56 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-N 118.009 0.368 . . . . 2.48 110.681 176.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.862 ' HB ' HG23 ' A' ' 46' ' ' VAL . 5.3 mp -77.44 -47.99 25.26 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.937 0 C-N-CA 119.899 -0.721 . . . . 0.44 109.615 176.376 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.526 HG23 HG21 ' A' ' 46' ' ' VAL . 41.1 t -61.89 -23.8 32.41 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.418 0 CA-C-O 121.265 0.555 . . . . 0.34 112.187 -178.672 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -72.66 -34.49 67.29 Favored 'General case' 0 C--O 1.213 -0.847 0 O-C-N 121.369 -0.832 . . . . 0.95 110.086 176.056 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -75.29 -38.64 60.26 Favored 'General case' 0 C--N 1.313 -0.988 0 N-CA-C 109.121 -0.696 . . . . 2.11 109.121 177.753 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 40.0 mm -74.87 -53.9 15.52 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.936 0 CA-C-N 115.43 -0.804 . . . . 0.71 112.135 -178.552 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -113.12 -32.84 6.2 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 113.12 0.785 . . . . 0.68 113.12 -174.04 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.97 30.57 7.03 Favored Glycine 0 C--N 1.313 -0.726 0 C-N-CA 119.775 -1.202 . . . . 0.93 114.396 176.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.503 HD11 ' HB ' ' A' ' 15' ' ' VAL . 1.9 pp -82.59 140.68 44.51 Favored Pre-proline 0 C--N 1.314 -0.957 0 CA-C-N 117.25 0.525 . . . . 0.6 111.915 176.394 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 21' ' ' ILE . 16.6 Cg_exo -64.5 142.56 78.63 Favored 'Trans proline' 0 N--CA 1.452 -0.963 0 C-N-CA 122.579 2.186 . . . . 0.75 110.374 175.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.7 m -76.05 -5.82 7.88 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.224 0 CA-C-O 121.504 0.669 . . . . 1.48 110.984 179.445 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -85.17 -21.55 29.14 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-N 115.281 -0.872 . . . . 2.03 108.747 175.144 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -82.66 -37.3 25.05 Favored 'General case' 0 CA--C 1.503 -0.857 0 CA-C-N 115.558 -0.747 . . . . 1.07 109.45 -176.336 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.512 HG12 HG13 ' A' ' 8' ' ' VAL . 27.9 t -73.2 87.43 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.047 0 CA-C-N 114.91 -1.041 . . . . 0.73 111.246 -176.159 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.511 ' H ' ' HG2' ' A' ' 30' ' ' LYS . 95.6 mttt -107.81 166.15 10.91 Favored 'General case' 0 C--N 1.293 -1.872 0 N-CA-C 107.091 -1.448 . . . . 2.83 107.091 174.235 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.417 ' HA ' HG23 ' A' ' 69' ' ' VAL . 3.7 mm? -49.28 -40.66 35.43 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 115.947 1.832 . . . . 1.07 115.947 -169.554 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -88.78 16.2 7.17 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 114.022 1.119 . . . . 2.47 114.022 -176.61 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.568 ' HD2' ' OD2' ' A' ' 35' ' ' ASP . 18.7 mmtp -84.71 124.59 31.68 Favored 'General case' 0 C--N 1.314 -0.936 0 C-N-CA 119.62 -0.832 . . . . 1.06 110.165 176.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.737 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 7.3 t -95.87 144.56 26.11 Favored 'General case' 0 C--N 1.295 -1.774 0 N-CA-C 109.086 -0.709 . . . . 1.31 109.086 177.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.649 ' HA ' HD12 ' A' ' 36' ' ' LEU . 98.0 m-85 -71.37 24.33 0.04 OUTLIER 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 124.297 1.039 . . . . 1.03 112.855 -176.433 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.756 ' HB ' ' HB3' ' A' ' 40' ' ' SER . 9.7 t -172.48 -48.34 0.02 OUTLIER 'General case' 0 N--CA 1.439 -1.018 0 C-N-CA 122.764 0.425 . . . . 1.37 110.738 175.791 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.484 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 13.4 t70 -62.05 -39.17 91.44 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-O 121.649 0.738 . . . . 2.31 109.784 -178.757 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.568 ' OD2' ' HD2' ' A' ' 30' ' ' LYS . 20.4 t70 -105.55 -58.05 1.95 Allowed 'General case' 0 C--N 1.308 -1.22 0 CA-C-N 115.541 -0.754 . . . . 1.67 111.27 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.649 HD12 ' HA ' ' A' ' 32' ' ' PHE . 75.2 mt -57.91 147.04 30.07 Favored 'General case' 0 CA--C 1.5 -0.964 0 N-CA-C 114.176 1.176 . . . . 0.69 114.176 -171.517 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -89.74 65.8 6.92 Favored 'General case' 0 C--N 1.296 -1.741 0 CA-C-N 113.613 -1.63 . . . . 2.15 108.089 -177.361 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.487 HG23 ' H ' ' A' ' 40' ' ' SER . 30.9 m -130.07 -172.33 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.402 -2.831 0 CA-C-N 112.891 -1.958 . . . . 2.23 109.393 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -117.13 25.14 10.69 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-O 121.296 0.569 . . . . 2.96 109.686 175.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.756 ' HB3' ' HB ' ' A' ' 33' ' ' THR . 95.2 p 61.93 -71.25 0.04 OUTLIER 'General case' 0 C--N 1.317 -0.833 0 C-N-CA 127.298 2.239 . . . . 1.19 114.481 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.1 mp -45.9 -24.35 0.39 Allowed 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 125.62 1.568 . . . . 1.34 114.024 -175.169 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.0 m -60.05 -26.91 66.51 Favored 'General case' 0 C--N 1.304 -1.396 0 C-N-CA 123.702 0.801 . . . . 1.26 111.421 177.721 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.485 ' HA ' HG12 ' A' ' 46' ' ' VAL . 9.3 tmm? -62.13 -22.48 65.87 Favored 'General case' 0 C--O 1.216 -0.7 0 C-N-CA 124.016 0.926 . . . . 0.97 110.66 -179.241 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 58.9 t -56.69 -26.93 24.63 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.108 0 CA-C-O 121.257 0.551 . . . . 0.65 111.113 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -81.1 -28.55 35.17 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 116.23 -0.441 . . . . 2.06 112.037 176.479 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.862 HG23 ' HB ' ' A' ' 14' ' ' ILE . 12.5 p -82.22 -34.25 12.12 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.076 0 C-N-CA 120.43 -0.508 . . . . 1.43 110.764 -178.558 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.421 ' O ' ' HG2' ' A' ' 51' ' ' GLU . 11.5 p -62.59 -42.46 96.01 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 C-N-CA 120.175 -0.61 . . . . 0.53 111.061 179.537 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 9.3 p -73.86 -21.37 18.13 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.723 0 CA-C-O 121.707 0.765 . . . . 0.65 110.425 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -86.15 -22.85 26.8 Favored 'General case' 0 C--O 1.21 -1.023 0 CA-C-N 115.867 -0.606 . . . . 0.32 110.124 178.599 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.11 -32.16 66.71 Favored 'General case' 0 C--N 1.305 -1.349 0 CA-C-N 116.359 -0.382 . . . . 0.36 110.008 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.506 ' CD ' ' H ' ' A' ' 58' ' ' ILE . 5.5 mm-40 -50.91 -55.81 15.33 Favored 'General case' 0 C--N 1.314 -0.963 0 C-N-CA 124.628 1.171 . . . . 0.78 110.514 178.553 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -75.38 -27.98 59.32 Favored 'General case' 0 C--N 1.306 -1.297 0 CA-C-N 114.518 -1.219 . . . . 0.96 111.733 -178.666 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.0 tpm_? -84.99 -36.88 21.03 Favored 'General case' 0 N--CA 1.437 -1.108 0 N-CA-C 112.462 0.542 . . . . 3.85 112.462 -171.782 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -108.72 6.72 25.95 Favored 'General case' 0 C--N 1.312 -1.057 0 N-CA-C 112.794 0.664 . . . . 0.4 112.794 -175.394 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 67.38 36.87 3.72 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 123.745 0.653 . . . . 1.95 110.965 -179.574 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.49 HG23 ' HA ' ' A' ' 51' ' ' GLU . 22.3 m -114.3 -170.46 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.104 0 CA-C-N 116.204 -0.453 . . . . 1.37 112.038 -178.576 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -167.08 101.62 0.53 Allowed 'General case' 0 C--O 1.247 0.94 0 N-CA-C 106.545 -1.65 . . . . 3.34 106.545 179.182 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.506 ' H ' ' CD ' ' A' ' 51' ' ' GLU . 33.1 mt -108.17 118.99 51.19 Favored Pre-proline 0 C--N 1.287 -2.141 0 CA-C-N 114.846 -1.07 . . . . 0.57 109.791 -172.766 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.454 ' O ' HG23 ' A' ' 63' ' ' VAL . 27.5 Cg_exo -62.41 129.59 27.27 Favored 'Trans proline' 0 N--CA 1.454 -0.813 0 C-N-CA 122.528 2.152 . . . . 0.63 110.115 176.176 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -50.11 -39.68 43.56 Favored 'General case' 0 N--CA 1.48 1.073 0 N-CA-C 115.351 1.611 . . . . 2.3 115.351 -173.73 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -83.11 -25.3 32.09 Favored 'General case' 0 C--N 1.305 -1.337 0 C-N-CA 119.086 -1.046 . . . . 2.38 112.874 177.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -71.26 -25.05 62.29 Favored 'General case' 0 C--N 1.314 -0.967 0 N-CA-C 109.529 -0.545 . . . . 1.52 109.529 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 59' ' ' PRO . 58.2 t -55.59 -45.04 78.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 CA-C-N 114.992 -1.004 . . . . 0.79 109.749 174.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -63.88 -8.65 11.73 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-N 115.174 -0.921 . . . . 1.24 113.421 -173.652 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 56.0 t30 -83.16 -20.11 35.36 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-O 121.138 0.494 . . . . 2.07 109.672 178.028 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 62.1 mt -84.55 176.24 8.75 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.823 -0.806 . . . . 0.6 108.823 -178.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.2 pttm -158.48 -55.32 0.07 Allowed 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 112.613 0.597 . . . . 2.69 112.613 -176.683 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.737 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 57.9 p -97.49 175.58 6.17 Favored 'General case' 0 N--CA 1.431 -1.392 0 C-N-CA 119.834 -0.746 . . . . 0.46 109.83 179.021 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.531 HG12 ' CZ ' ' A' ' 32' ' ' PHE . 33.4 m -76.28 -13.27 14.7 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.184 0 C-N-CA 120.451 -0.5 . . . . 0.66 110.024 175.266 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -75.8 -27.38 62.89 Favored Glycine 0 N--CA 1.442 -0.918 0 N-CA-C 110.442 -1.063 . . . . 0.46 110.442 174.748 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -78.37 -38.98 40.54 Favored 'General case' 0 CA--C 1.504 -0.82 0 N-CA-C 107.921 -1.14 . . . . 1.62 107.921 174.641 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.82 -53.1 56.11 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 114.737 -1.12 . . . . 0.51 110.812 -176.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.515 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 7.2 p -54.48 -55.03 33.19 Favored 'General case' 0 N--CA 1.447 -0.593 0 O-C-N 123.679 0.612 . . . . 0.46 111.553 179.324 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.7 tppt? -55.26 -42.54 73.63 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 124.212 0.945 . . . . 3.54 110.901 -179.246 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.502 ' HE1' HG12 ' A' ' 58' ' ' ILE . 39.8 t80 -65.76 -46.95 76.89 Favored 'General case' 0 C--O 1.242 0.685 0 CA-C-O 120.919 0.39 . . . . 0.83 110.337 178.683 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.426 HD11 HD21 ' A' ' 11' ' ' LEU . 83.4 mt -59.62 -59.62 3.67 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.59 0 CA-C-N 115.889 -0.596 . . . . 0.65 111.343 -179.566 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.515 ' HG ' ' O ' ' A' ' 73' ' ' THR . 3.5 pp -58.16 -22.61 52.04 Favored 'General case' 0 C--O 1.221 -0.401 0 N-CA-C 112.726 0.639 . . . . 1.74 112.726 -177.146 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 20.8 t70 . . . . . 0 C--N 1.308 -1.232 0 CA-C-N 115.323 -0.853 . . . . 1.32 111.02 178.124 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.749 0 N-CA-C 107.657 -1.238 . . . . 1.12 107.657 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.422 HG22 ' H ' ' A' ' 4' ' ' GLN . 26.2 m -145.16 170.82 15.49 Favored 'General case' 0 C--N 1.307 -1.281 0 N-CA-C 107.987 -1.116 . . . . 1.57 107.987 174.713 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.422 ' H ' HG22 ' A' ' 3' ' ' THR . 15.5 pt20 -47.22 -52.47 15.77 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 114.649 1.352 . . . . 1.76 114.649 -177.018 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -63.64 -44.44 93.86 Favored 'General case' 0 C--O 1.216 -0.685 0 N-CA-C 110.133 -0.321 . . . . 3.05 110.133 -176.013 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -59.27 -38.26 79.67 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 123.631 0.772 . . . . 2.53 111.781 176.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 41.7 mm -68.41 -50.14 59.63 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 N-CA-C 109.214 -0.661 . . . . 0.45 109.214 177.503 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.442 ' HA ' HD12 ' A' ' 11' ' ' LEU . 93.2 t -59.24 -39.28 78.37 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.036 0 CA-C-O 121.217 0.532 . . . . 0.57 110.839 178.517 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.26 -25.56 66.13 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 123.03 0.532 . . . . 0.48 111.119 177.608 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -77.52 -44.65 12.44 Favored Glycine 0 N--CA 1.438 -1.204 0 N-CA-C 109.555 -1.418 . . . . 0.37 109.555 175.074 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.442 HD12 ' HA ' ' A' ' 8' ' ' VAL . 95.3 mt -55.51 -47.01 76.91 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.723 0.809 . . . . 0.33 111.136 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.77 -25.17 67.81 Favored 'General case' 0 C--O 1.214 -0.814 0 CA-C-N 115.599 -0.728 . . . . 0.28 112.736 -177.432 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -61.65 -48.7 79.64 Favored 'General case' 0 C--O 1.25 1.123 0 C-N-CA 121.207 -0.197 . . . . 2.48 110.534 176.036 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.547 HG21 ' HA ' ' A' ' 46' ' ' VAL . 3.6 mp -73.62 -39.79 53.99 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 109.037 -0.727 . . . . 0.44 109.037 179.662 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.471 HG12 ' CG1' ' A' ' 21' ' ' ILE . 61.7 t -64.26 -29.33 47.05 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.028 0 C-N-CA 119.946 -0.702 . . . . 0.34 111.879 179.162 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -69.84 -41.82 74.41 Favored 'General case' 0 C--N 1.319 -0.759 0 O-C-N 121.555 -0.715 . . . . 0.95 110.591 175.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.476 ' HG2' ' HA ' ' A' ' 14' ' ' ILE . 10.7 pt-20 -74.55 -23.85 58.85 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.145 -0.622 . . . . 2.11 111.628 -178.783 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 47.1 mm -92.29 -54.47 7.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 C-N-CA 120.907 -0.317 . . . . 0.71 111.229 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -102.24 -26.98 13.13 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 113.253 0.835 . . . . 0.68 113.253 -171.423 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 86.78 44.27 5.81 Favored Glycine 0 C--N 1.314 -0.681 0 C-N-CA 120.34 -0.933 . . . . 0.93 113.041 178.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.471 ' CG1' HG12 ' A' ' 15' ' ' VAL . 2.6 pp -89.09 155.84 49.32 Favored Pre-proline 0 C--N 1.308 -1.207 0 O-C-N 122.686 -0.302 . . . . 0.6 111.643 179.355 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -78.7 138.58 15.2 Favored 'Trans proline' 0 N--CA 1.442 -1.518 0 C-N-CA 122.421 2.081 . . . . 0.75 108.947 172.222 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.2 m -85.91 23.93 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.58 0 CA-C-O 121.969 0.89 . . . . 1.48 113.137 -174.454 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -110.87 -17.05 13.41 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 107.01 -1.478 . . . . 2.03 107.01 174.613 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.583 ' O ' ' HE3' ' A' ' 30' ' ' LYS . 3.9 t70 -87.57 -47.83 8.4 Favored 'General case' 0 N--CA 1.441 -0.908 0 CA-C-N 114.7 -1.136 . . . . 1.07 110.502 -171.041 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 46.4 t -68.53 93.46 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.427 -0.806 . . . . 0.73 111.003 -177.104 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.435 ' H ' ' HG3' ' A' ' 30' ' ' LYS . 52.6 mtmt -124.14 178.57 5.26 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 107.895 -1.15 . . . . 2.83 107.895 175.841 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -51.95 -41.33 61.98 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 114.969 1.47 . . . . 1.07 114.969 -174.149 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -91.31 68.72 5.93 Favored 'General case' 0 C--N 1.312 -1.061 0 C-N-CA 119.18 -1.008 . . . . 2.47 111.08 179.324 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.583 ' HE3' ' O ' ' A' ' 25' ' ' ASP . 66.6 mmtt -143.07 154.5 44.01 Favored 'General case' 0 C--N 1.303 -1.425 0 CA-C-N 114.064 -1.425 . . . . 1.06 108.821 176.771 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.528 ' OG ' ' HB3' ' A' ' 34' ' ' ASP . 7.4 p -136.01 148.42 48.4 Favored 'General case' 0 C--N 1.287 -2.128 0 N-CA-C 106.492 -1.67 . . . . 1.31 106.492 174.6 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.474 ' O ' ' HB2' ' A' ' 36' ' ' LEU . 99.0 m-85 -66.07 -45.83 79.88 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 114.76 1.393 . . . . 1.03 114.76 -167.781 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.413 HG21 ' HB3' ' A' ' 40' ' ' SER . 8.9 t -120.42 30.86 6.73 Favored 'General case' 0 C--N 1.295 -1.784 0 C-N-CA 118.314 -1.354 . . . . 1.37 112.031 -177.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.528 ' HB3' ' OG ' ' A' ' 31' ' ' SER . 11.7 t70 -128.42 -61.76 1.06 Allowed 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 108.335 -0.987 . . . . 2.31 108.335 175.829 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -81.85 -34.16 30.26 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 108.688 -0.856 . . . . 1.67 108.688 176.601 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.477 ' HB3' HG23 ' A' ' 38' ' ' VAL . 91.8 mt -100.16 176.0 5.54 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 116.139 -0.482 . . . . 0.69 110.054 -178.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -109.98 22.45 15.6 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-O 121.814 0.816 . . . . 2.15 109.19 -178.087 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.477 HG23 ' HB3' ' A' ' 36' ' ' LEU . 33.1 t -79.5 106.05 9.92 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.568 0 CA-C-N 114.802 -1.09 . . . . 2.23 108.53 -178.006 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -55.19 126.87 26.64 Favored 'General case' 0 C--N 1.316 -0.851 0 O-C-N 123.862 0.726 . . . . 2.96 109.519 177.828 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.43 ' O ' HG23 ' A' ' 44' ' ' VAL . 62.1 p -58.11 -47.79 82.18 Favored 'General case' 0 C--N 1.298 -1.657 0 C-N-CA 124.596 1.158 . . . . 1.19 113.364 -173.496 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.6 mp -61.37 -26.8 68.07 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-O 121.601 0.715 . . . . 1.34 109.969 179.068 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 58.1 m -84.32 -25.23 29.41 Favored 'General case' 0 N--CA 1.436 -1.144 0 CA-C-N 115.349 -0.842 . . . . 1.26 111.121 177.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.408 ' O ' ' HB ' ' A' ' 46' ' ' VAL . 7.3 tmm? -70.15 -24.01 63.09 Favored 'General case' 0 C--O 1.217 -0.623 0 N-CA-C 107.795 -1.187 . . . . 0.97 107.795 178.399 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.496 ' HA ' HG12 ' A' ' 47' ' ' VAL . 25.9 t -63.29 -26.42 40.81 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.36 0 CA-C-N 115.119 -0.946 . . . . 0.65 109.053 175.298 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -81.44 -18.9 43.71 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.716 0.77 . . . . 2.06 109.553 177.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.547 ' HA ' HG21 ' A' ' 14' ' ' ILE . 88.2 t -78.99 -56.08 8.09 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.276 0 N-CA-C 108.177 -1.045 . . . . 1.43 108.177 175.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.541 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 14.8 p -56.89 -33.47 41.74 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 N-CA-C 112.968 0.729 . . . . 0.53 112.968 -177.661 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 12.7 p -67.11 -27.98 41.19 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.11 0 C-N-CA 120.017 -0.673 . . . . 0.65 110.511 178.756 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -86.45 -23.36 26.05 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.699 0.762 . . . . 0.32 109.267 176.578 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.39 -37.38 71.57 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 115.728 -0.669 . . . . 0.36 110.575 179.041 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.541 ' HG3' ' O ' ' A' ' 47' ' ' VAL . 39.6 mt-10 -57.82 -48.42 79.8 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.318 0.58 . . . . 0.78 110.385 178.311 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -73.23 -35.42 66.28 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.674 -0.694 . . . . 0.96 112.124 -179.48 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.45 ' HA ' ' HD2' ' A' ' 53' ' ' ARG . 13.3 tpt180 -72.01 -52.1 18.62 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 120.847 0.356 . . . . 3.85 111.85 -178.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -86.92 2.88 47.83 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 116.099 -0.501 . . . . 0.4 111.894 -174.414 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 26.7 t70 66.38 10.76 7.5 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.256 1.022 . . . . 1.95 111.914 173.165 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.539 ' O ' ' HA ' ' A' ' 51' ' ' GLU . 4.5 p -119.65 121.32 65.94 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.422 0 CA-C-N 115.596 -0.729 . . . . 1.37 109.533 -176.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -70.94 126.87 30.76 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 115.562 -0.745 . . . . 3.34 109.308 179.534 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.466 ' H ' ' HG2' ' A' ' 51' ' ' GLU . 24.9 mt -129.69 95.78 28.47 Favored Pre-proline 0 C--N 1.298 -1.646 0 N-CA-C 107.615 -1.254 . . . . 0.57 107.615 -176.845 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.417 ' O ' HG23 ' A' ' 63' ' ' VAL . 31.6 Cg_exo -62.4 125.25 15.84 Favored 'Trans proline' 0 N--CA 1.453 -0.863 0 C-N-CA 122.274 1.983 . . . . 0.63 110.197 -179.424 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.622 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 7.2 p-10 -58.86 -25.75 63.59 Favored 'General case' 0 C--O 1.216 -0.698 0 O-C-N 123.245 0.341 . . . . 2.3 111.13 -177.747 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -62.81 -34.93 78.33 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 122.768 0.427 . . . . 2.38 111.004 176.119 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -84.11 -30.4 25.98 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 108.826 -0.805 . . . . 1.52 108.826 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.531 HG21 HG21 ' A' ' 47' ' ' VAL . 91.8 t -59.05 -23.87 25.51 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 CA-C-N 114.829 -1.078 . . . . 0.79 110.833 177.051 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.622 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 92.7 mttt -75.54 -3.07 32.05 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.605 -0.725 . . . . 1.24 111.161 -178.144 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 59.9 m-20 -98.54 -20.81 16.84 Favored 'General case' 0 CA--C 1.509 -0.632 0 N-CA-C 109.56 -0.533 . . . . 2.07 109.56 177.246 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.598 HD13 ' HA ' ' A' ' 72' ' ' ALA . 55.3 mt -86.22 162.31 18.37 Favored 'General case' 0 N--CA 1.439 -1.008 0 C-N-CA 120.692 -0.403 . . . . 0.6 110.915 -172.504 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 51.3 mtpt -131.03 -62.82 0.88 Allowed 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 112.669 0.618 . . . . 2.69 112.669 -176.201 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 63.2 p -93.09 177.0 6.2 Favored 'General case' 0 C--N 1.306 -1.296 0 C-N-CA 119.925 -0.71 . . . . 0.46 111.216 -178.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.451 HG12 ' CE2' ' A' ' 32' ' ' PHE . 24.1 m -83.97 -16.79 10.75 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.084 0 N-CA-C 109.963 -0.384 . . . . 0.66 109.963 177.334 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -78.6 -29.08 53.71 Favored Glycine 0 N--CA 1.443 -0.834 0 N-CA-C 109.044 -1.622 . . . . 0.46 109.044 174.474 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -77.73 -28.69 50.85 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 114.274 -0.963 . . . . 1.62 108.745 175.144 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.598 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -73.44 -49.38 27.22 Favored 'General case' 0 C--O 1.245 0.843 0 CA-C-N 115.173 -0.921 . . . . 0.51 110.592 178.32 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.486 ' O ' ' HB2' ' A' ' 77' ' ' LEU . 7.7 p -56.68 -37.89 71.5 Favored 'General case' 0 C--O 1.19 -2.068 0 CA-C-N 116.121 -0.49 . . . . 0.46 111.099 178.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.9 ttpp -51.61 -35.71 42.86 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 123.89 0.876 . . . . 3.54 112.986 179.436 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -76.67 -54.87 6.07 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.797 0.808 . . . . 0.83 108.987 177.34 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 93.5 mt -55.14 -46.9 77.77 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.089 0 C-N-CA 125.26 1.424 . . . . 0.65 112.123 -177.493 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.486 ' HB2' ' O ' ' A' ' 73' ' ' THR . 14.1 tp -51.68 -23.32 4.28 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 127.472 2.309 . . . . 1.74 112.181 -176.14 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 27.0 t70 . . . . . 0 C--N 1.32 -0.693 0 CA-C-O 121.286 0.565 . . . . 1.32 110.863 -178.952 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' ALA . . . . . 0.432 ' HB1' ' HB2' ' A' ' 6' ' ' GLU . . . . . . . . 0 C--O 1.214 -0.783 0 N-CA-C 110.591 -0.151 . . . . 1.12 110.591 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.59 ' O ' HG12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -102.31 -174.2 2.51 Favored 'General case' 0 C--N 1.306 -1.299 0 C-N-CA 119.356 -0.938 . . . . 1.57 112.744 -174.018 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -44.51 -53.88 6.57 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 114.957 1.466 . . . . 1.76 114.957 -169.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -66.68 -40.97 88.77 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.193 0.521 . . . . 3.05 110.39 -176.016 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.432 ' HB2' ' HB1' ' A' ' 2' ' ' ALA . 1.4 mp0 -65.9 -34.48 78.23 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.147 -0.933 . . . . 2.53 109.836 177.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.59 HG12 ' O ' ' A' ' 3' ' ' THR . 44.7 mm -61.57 -57.7 10.92 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.789 0 N-CA-C 108.876 -0.787 . . . . 0.45 108.876 177.212 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 70.9 t -51.18 -51.41 22.7 Favored 'Isoleucine or valine' 0 C--O 1.243 0.736 0 C-N-CA 123.568 0.747 . . . . 0.57 110.625 178.84 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.45 -32.44 71.38 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.814 -0.63 . . . . 0.48 111.649 179.673 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.456 ' C ' ' HZ ' ' A' ' 54' ' ' PHE . . . -77.83 -40.61 21.19 Favored Glycine 0 C--O 1.216 -0.984 0 N-CA-C 111.473 -0.651 . . . . 0.37 111.473 178.765 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' A' ' 7' ' ' ILE . 95.9 mt -54.39 -46.25 73.05 Favored 'General case' 0 CA--C 1.506 -0.725 0 C-N-CA 123.558 0.743 . . . . 0.33 110.497 -179.452 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.415 ' HB2' ' HB ' ' A' ' 26' ' ' VAL . . . -64.98 -23.66 67.28 Favored 'General case' 0 C--O 1.199 -1.599 0 CA-C-N 115.338 -0.846 . . . . 0.28 112.211 -179.501 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -66.69 -43.2 85.06 Favored 'General case' 0 CA--C 1.503 -0.85 0 CA-C-O 120.719 0.295 . . . . 2.48 110.243 178.118 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.601 HG21 ' HA ' ' A' ' 46' ' ' VAL . 4.2 mp -74.21 -39.92 50.14 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.049 0 N-CA-C 108.604 -0.887 . . . . 0.44 108.604 177.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.447 HG12 ' CG1' ' A' ' 21' ' ' ILE . 40.4 t -65.88 -24.03 33.37 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.378 0 C-N-CA 119.987 -0.685 . . . . 0.34 111.026 179.183 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -71.58 -47.72 52.98 Favored 'General case' 0 C--O 1.213 -0.833 0 CA-C-N 116.313 -0.403 . . . . 0.95 110.742 176.269 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -69.09 -23.77 64.05 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.107 0.479 . . . . 2.11 111.553 -178.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 39.9 mm -89.55 -53.63 8.99 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.067 0 CA-C-N 115.894 -0.594 . . . . 0.71 111.832 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -111.28 -5.78 14.63 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 114.51 1.3 . . . . 0.68 114.51 -172.293 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.3 44.48 74.72 Favored Glycine 0 C--N 1.311 -0.826 0 C-N-CA 120.751 -0.738 . . . . 0.93 113.028 -179.445 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.447 ' CG1' HG12 ' A' ' 15' ' ' VAL . 2.6 pp -94.79 155.92 38.76 Favored Pre-proline 0 C--N 1.306 -1.294 0 O-C-N 122.331 -0.511 . . . . 0.6 111.142 177.734 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_exo -67.76 137.3 41.51 Favored 'Trans proline' 0 N--CA 1.448 -1.175 0 C-N-CA 121.951 1.767 . . . . 0.75 108.803 172.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 35.6 m -85.31 12.4 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.37 0 CA-C-O 122.259 1.028 . . . . 1.48 112.245 -174.369 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -114.96 -2.72 12.78 Favored 'General case' 0 C--N 1.286 -2.175 0 CA-C-N 114.112 -1.404 . . . . 2.03 108.396 176.491 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.444 ' O ' ' HE3' ' A' ' 30' ' ' LYS . 22.2 t70 -80.7 -42.73 21.47 Favored 'General case' 0 CA--C 1.508 -0.647 0 CA-C-N 115.05 -0.977 . . . . 1.07 108.569 -179.027 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.415 ' HB ' ' HB2' ' A' ' 12' ' ' ALA . 44.9 t -74.95 88.43 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.314 -0.976 0 CA-C-N 114.627 -1.17 . . . . 0.73 110.106 -179.131 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.407 ' HA ' ' HD3' ' A' ' 27' ' ' LYS . 32.8 mmtp -115.01 177.54 4.61 Favored 'General case' 0 C--N 1.31 -1.12 0 N-CA-C 108.845 -0.798 . . . . 2.83 108.845 173.178 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -49.89 -33.51 17.46 Favored 'General case' 0 N--CA 1.486 1.325 0 N-CA-C 115.935 1.828 . . . . 1.07 115.935 -170.405 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -88.41 10.47 19.91 Favored 'General case' 0 C--N 1.309 -1.153 0 N-CA-C 113.495 0.924 . . . . 2.47 113.495 -177.107 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.78 ' HD3' ' HB3' ' A' ' 35' ' ' ASP . 45.0 mmtt -93.67 135.02 35.37 Favored 'General case' 0 C--N 1.301 -1.539 0 CA-C-O 120.617 0.246 . . . . 1.06 111.421 178.858 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.697 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 29.5 t -111.04 151.32 28.16 Favored 'General case' 0 C--N 1.308 -1.198 0 N-CA-C 106.376 -1.712 . . . . 1.31 106.376 172.271 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.71 ' HA ' HD12 ' A' ' 36' ' ' LEU . 67.4 m-85 -68.09 -36.25 79.48 Favored 'General case' 0 C--O 1.201 -1.461 0 N-CA-C 114.993 1.479 . . . . 1.03 114.993 -166.276 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.518 ' HB ' ' HB3' ' A' ' 40' ' ' SER . 8.1 t -126.48 35.14 4.69 Favored 'General case' 0 C--N 1.273 -2.729 0 CA-C-O 123.449 1.595 . . . . 1.37 109.434 -175.569 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.474 ' HB2' ' HB3' ' A' ' 31' ' ' SER . 5.5 m-20 -136.8 -63.43 0.61 Allowed 'General case' 0 C--N 1.296 -1.725 0 CA-C-N 113.61 -1.632 . . . . 2.31 107.516 -179.533 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.78 ' HB3' ' HD3' ' A' ' 30' ' ' LYS . 8.1 m-20 -90.34 -20.36 22.97 Favored 'General case' 0 CA--C 1.488 -1.413 0 CA-C-N 115.356 -0.838 . . . . 1.67 110.886 -178.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.71 HD12 ' HA ' ' A' ' 32' ' ' PHE . 57.4 mt -91.37 152.07 20.58 Favored 'General case' 0 N--CA 1.418 -2.037 0 CA-C-O 121.566 0.698 . . . . 0.69 111.243 -179.053 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -98.93 37.99 1.45 Allowed 'General case' 0 C--N 1.291 -1.977 0 CA-C-N 114.38 -1.282 . . . . 2.15 109.935 -172.317 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 14.9 m -105.85 -169.48 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.402 -2.842 0 CA-C-O 121.482 0.658 . . . . 2.23 111.209 -175.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -116.09 119.2 35.08 Favored 'General case' 0 C--N 1.289 -2.05 0 N-CA-C 104.959 -2.237 . . . . 2.96 104.959 169.643 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.518 ' HB3' ' HB ' ' A' ' 33' ' ' THR . 26.3 p -57.64 -33.22 68.07 Favored 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 112.858 0.688 . . . . 1.19 112.858 -176.44 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.0 mp -61.14 -22.42 64.67 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-O 121.506 0.669 . . . . 1.34 110.482 179.419 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 35.0 m -84.39 -17.77 38.26 Favored 'General case' 0 N--CA 1.44 -0.936 0 C-N-CA 123.72 0.808 . . . . 1.26 111.337 179.243 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 36.1 ttp -69.14 -21.15 64.03 Favored 'General case' 0 C--O 1.219 -0.518 0 O-C-N 122.09 -0.382 . . . . 0.97 110.788 -175.711 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 59.6 t -54.35 -48.53 67.99 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.137 0 CA-C-N 116.117 -0.492 . . . . 0.65 109.854 178.059 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -63.35 -29.98 71.2 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.858 0.361 . . . . 2.06 111.317 175.504 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.601 ' HA ' HG21 ' A' ' 14' ' ' ILE . 98.7 t -70.17 -53.41 23.48 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.065 0 CA-C-N 115.938 -0.574 . . . . 1.43 110.244 -179.748 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.519 HG21 HG21 ' A' ' 63' ' ' VAL . 12.7 p -62.13 -38.13 80.15 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 N-CA-C 112.326 0.491 . . . . 0.53 112.326 -177.417 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 14.9 p -70.36 -29.66 39.96 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.799 0 C-N-CA 120.03 -0.668 . . . . 0.65 110.439 178.663 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.466 ' O ' ' HG2' ' A' ' 53' ' ' ARG . . . -76.23 -31.44 58.38 Favored 'General case' 0 C--O 1.213 -0.846 0 N-CA-C 109.32 -0.622 . . . . 0.32 109.32 176.13 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.19 -40.91 97.63 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-N 116.163 -0.471 . . . . 0.36 109.945 178.04 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.663 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 32.2 mt-10 -55.37 -54.13 47.51 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.27 -0.423 . . . . 0.78 111.426 177.764 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -68.35 -44.23 75.7 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.005 -0.543 . . . . 0.96 112.433 -178.102 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.466 ' HG2' ' O ' ' A' ' 49' ' ' ALA . 14.5 mmt85 -75.38 -36.39 60.91 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 111.981 0.363 . . . . 3.85 111.981 -174.312 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.456 ' HZ ' ' C ' ' A' ' 10' ' ' GLY . 79.4 m-85 -96.08 -2.08 47.37 Favored 'General case' 0 CA--C 1.512 -0.504 0 N-CA-C 113.615 0.969 . . . . 0.4 113.615 -176.392 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 68.5 33.89 3.84 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 123.458 0.474 . . . . 1.95 110.694 176.482 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.814 HG11 HG23 ' A' ' 76' ' ' ILE . 7.0 p -144.97 112.71 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.327 0 CA-C-O 121.439 0.638 . . . . 1.37 110.615 -178.452 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp -78.73 132.94 37.15 Favored 'General case' 0 C--N 1.289 -2.051 0 C-N-CA 119.532 -0.867 . . . . 3.34 111.08 176.606 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.457 HG23 ' CE1' ' A' ' 75' ' ' TYR . 51.6 mt -129.71 105.83 17.08 Favored Pre-proline 0 C--N 1.295 -1.768 0 CA-C-N 114.426 -1.261 . . . . 0.57 108.169 -172.74 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.505 ' O ' HG23 ' A' ' 63' ' ' VAL . 48.5 Cg_exo -58.52 123.49 13.7 Favored 'Trans proline' 0 C--O 1.24 0.588 0 C-N-CA 123.128 2.552 . . . . 0.63 111.911 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -54.72 -27.45 40.83 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 114.308 1.225 . . . . 2.3 114.308 -175.79 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -68.91 -38.25 79.45 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 120.552 0.215 . . . . 2.38 111.481 177.194 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -76.35 -34.53 58.96 Favored 'General case' 0 C--O 1.244 0.78 0 CA-C-O 121.205 0.526 . . . . 1.52 109.875 -177.662 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.519 HG21 HG21 ' A' ' 47' ' ' VAL . 85.2 t -49.72 -51.55 15.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 CA-C-N 114.003 -1.453 . . . . 0.79 110.992 179.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -65.44 -11.5 43.49 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 123.344 0.657 . . . . 1.24 112.251 -172.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -94.5 -8.51 38.18 Favored 'General case' 0 C--N 1.298 -1.673 0 CA-C-O 121.16 0.505 . . . . 2.07 111.319 -178.627 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.523 HD13 ' HA ' ' A' ' 72' ' ' ALA . 96.0 mt -91.63 -176.95 4.65 Favored 'General case' 0 C--N 1.314 -0.953 0 N-CA-C 108.077 -1.083 . . . . 0.6 108.077 176.2 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 40.8 pttt -148.75 -71.84 0.2 Allowed 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 113.718 1.007 . . . . 2.69 113.718 -179.573 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.697 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 66.5 p -80.47 170.73 15.97 Favored 'General case' 0 C--N 1.314 -0.973 0 C-N-CA 119.436 -0.905 . . . . 0.46 110.747 -176.117 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 33.9 m -73.42 -13.65 16.22 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.028 0 N-CA-C 109.671 -0.492 . . . . 0.66 109.671 175.381 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -78.39 -37.9 26.53 Favored Glycine 0 N--CA 1.435 -1.418 0 N-CA-C 109.584 -1.407 . . . . 0.46 109.584 175.29 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -71.56 -32.33 67.99 Favored 'General case' 0 CA--C 1.505 -0.754 0 N-CA-C 108.823 -0.806 . . . . 1.62 108.823 177.762 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.523 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -69.5 -55.02 11.4 Favored 'General case' 0 N--CA 1.431 -1.415 0 CA-C-N 114.607 -1.178 . . . . 0.51 109.762 -179.006 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.655 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 13.8 p -56.57 -39.58 73.72 Favored 'General case' 0 N--CA 1.444 -0.748 0 O-C-N 123.726 0.641 . . . . 0.46 112.02 -178.551 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.8 tppt? -54.4 -44.58 72.45 Favored 'General case' 0 CA--C 1.535 0.377 0 O-C-N 123.909 0.756 . . . . 3.54 110.996 178.078 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.457 ' CE1' HG23 ' A' ' 58' ' ' ILE . 55.9 t80 -73.46 -47.98 37.2 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.087 0.47 . . . . 0.83 110.074 178.102 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.814 HG23 HG11 ' A' ' 56' ' ' VAL . 93.7 mt -52.69 -65.76 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.076 -0.966 . . . . 0.65 111.836 -177.365 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.655 ' HG ' ' O ' ' A' ' 73' ' ' THR . 2.9 pp -64.4 -22.46 66.97 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.733 0.642 . . . . 1.74 112.733 -174.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 36.7 t70 . . . . . 0 C--N 1.317 -0.836 0 CA-C-O 121.991 0.901 . . . . 1.32 110.201 179.548 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' ALA . . . . . 0.475 ' HB1' ' HB2' ' A' ' 6' ' ' GLU . . . . . . . . 0 N--CA 1.444 -0.73 0 N-CA-C 108.286 -1.005 . . . . 1.12 108.286 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.556 ' O ' HG12 ' A' ' 7' ' ' ILE . 4.0 m -105.13 171.28 7.4 Favored 'General case' 0 N--CA 1.427 -1.588 0 C-N-CA 120.353 -0.539 . . . . 1.57 110.537 -176.189 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.515 ' H ' HG22 ' A' ' 3' ' ' THR . 15.3 pt20 -40.1 -46.01 2.08 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 115.78 1.77 . . . . 1.76 115.78 -173.236 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -65.64 -53.17 45.18 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 109.5 -0.556 . . . . 3.05 109.5 -178.178 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.475 ' HB2' ' HB1' ' A' ' 2' ' ' ALA . 1.6 mp0 -62.09 -34.05 75.57 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.191 -0.913 . . . . 2.53 110.159 178.568 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.556 HG12 ' O ' ' A' ' 3' ' ' THR . 35.1 mm -61.17 -56.21 19.42 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.724 0 CA-C-N 116.211 -0.45 . . . . 0.45 109.855 177.698 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.541 ' HA ' HD12 ' A' ' 11' ' ' LEU . 85.4 t -59.11 -38.53 74.71 Favored 'Isoleucine or valine' 0 C--O 1.242 0.701 0 CA-C-O 120.811 0.339 . . . . 0.57 111.15 -179.756 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.07 -37.74 88.55 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.216 0.532 . . . . 0.48 110.108 176.354 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.452 ' O ' ' HG2' ' A' ' 13' ' ' GLU . . . -71.73 -26.68 72.35 Favored Glycine 0 C--O 1.207 -1.55 0 N-CA-C 111.268 -0.733 . . . . 0.37 111.268 178.839 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.541 HD12 ' HA ' ' A' ' 8' ' ' VAL . 96.4 mt -66.18 -44.7 83.25 Favored 'General case' 0 C--N 1.309 -1.178 0 N-CA-C 109.102 -0.703 . . . . 0.33 109.102 175.766 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.22 -27.65 69.5 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 113.623 0.972 . . . . 0.28 113.623 -176.716 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.715 ' HG3' HD12 ' A' ' 14' ' ' ILE . 10.8 pt-20 -67.92 -31.79 71.8 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 119.774 -0.77 . . . . 2.48 111.081 179.276 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.715 HD12 ' HG3' ' A' ' 13' ' ' GLU . 3.7 mp -86.38 -41.85 15.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 108.694 -0.854 . . . . 0.44 108.694 174.722 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.521 HG12 HG13 ' A' ' 21' ' ' ILE . 84.0 t -61.66 -31.74 51.66 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.244 0 N-CA-C 112.958 0.725 . . . . 0.34 112.958 -178.257 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -71.98 -30.98 65.83 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 121.28 -0.888 . . . . 0.95 110.113 175.818 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -70.23 -41.96 72.88 Favored 'General case' 0 C--N 1.31 -1.136 0 N-CA-C 109.154 -0.684 . . . . 2.11 109.154 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.425 HG13 HG22 ' A' ' 46' ' ' VAL . 47.2 mm -80.73 -53.47 12.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.4 -0.818 . . . . 0.71 112.228 -176.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -103.69 -49.06 3.76 Favored 'General case' 0 C--N 1.306 -1.296 0 CA-C-O 121.149 0.499 . . . . 0.68 111.132 -175.281 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 101.11 43.75 2.16 Favored Glycine 0 C--N 1.304 -1.202 0 C-N-CA 119.823 -1.179 . . . . 0.93 112.848 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.521 HG13 HG12 ' A' ' 15' ' ' VAL . 1.6 pp -82.31 162.2 57.18 Favored Pre-proline 0 C--N 1.301 -1.519 0 O-C-N 122.998 -0.119 . . . . 0.6 110.751 175.554 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.487 ' HB2' ' HB2' ' A' ' 25' ' ' ASP . 15.1 Cg_exo -71.09 127.43 13.53 Favored 'Trans proline' 0 N--CA 1.442 -1.536 0 N-CA-C 108.135 -1.525 . . . . 0.75 108.135 173.226 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.1 m -76.65 -5.81 8.01 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.385 0 N-CA-C 112.741 0.645 . . . . 1.48 112.741 -175.121 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -88.1 -21.73 24.53 Favored 'General case' 0 C--N 1.314 -0.947 0 N-CA-C 107.552 -1.277 . . . . 2.03 107.552 174.407 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.487 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 20.2 t70 -82.09 -30.54 31.19 Favored 'General case' 0 C--N 1.307 -1.282 0 CA-C-N 115.01 -0.996 . . . . 1.07 110.831 -172.061 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.551 ' HA ' ' HG3' ' A' ' 30' ' ' LYS . 22.0 t -75.75 83.09 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.313 -0.991 0 CA-C-N 115.282 -0.872 . . . . 0.73 109.95 -178.77 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -100.6 177.79 4.9 Favored 'General case' 0 C--N 1.297 -1.677 0 CA-C-N 114.542 -1.208 . . . . 2.83 108.651 177.539 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.475 HD11 ' HB2' ' A' ' 4' ' ' GLN . 4.2 mm? -59.6 -21.31 60.21 Favored 'General case' 0 N--CA 1.492 1.638 0 N-CA-C 112.865 0.691 . . . . 1.07 112.865 178.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -90.61 32.61 0.96 Allowed 'General case' 0 C--N 1.305 -1.361 0 CA-C-O 120.952 0.406 . . . . 2.47 111.457 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.551 ' HG3' ' HA ' ' A' ' 26' ' ' VAL . 71.6 mmtt -115.47 171.74 7.53 Favored 'General case' 0 C--N 1.303 -1.456 0 CA-C-O 121.717 0.77 . . . . 1.06 112.994 179.68 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.457 ' HB2' HG22 ' A' ' 68' ' ' THR . 19.9 t -149.93 153.52 36.76 Favored 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 105.186 -2.153 . . . . 1.31 105.186 178.273 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -67.37 -51.98 45.53 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 113.442 0.904 . . . . 1.03 113.442 -169.26 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.552 ' HB ' ' O ' ' A' ' 38' ' ' VAL . 11.5 t -123.18 19.49 9.88 Favored 'General case' 0 C--N 1.285 -2.223 0 C-N-CA 118.514 -1.274 . . . . 1.37 110.778 -179.413 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -116.24 -39.78 3.36 Favored 'General case' 0 C--N 1.3 -1.573 0 C-N-CA 119.314 -0.954 . . . . 2.31 110.722 179.019 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -107.61 -29.15 9.32 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 108.81 -0.811 . . . . 1.67 108.81 177.819 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 93.7 mt -100.04 -171.23 2.0 Favored 'General case' 0 C--O 1.24 0.573 0 N-CA-C 109.236 -0.653 . . . . 0.69 109.236 177.613 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -128.95 78.41 1.85 Allowed 'General case' 0 C--N 1.308 -1.212 0 N-CA-C 107.439 -1.319 . . . . 2.15 107.439 -178.708 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.552 ' O ' ' HB ' ' A' ' 33' ' ' THR . 25.3 t -137.94 113.82 10.61 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.435 0 CA-C-N 114.011 -1.449 . . . . 2.23 107.881 -177.43 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -56.16 122.95 12.9 Favored 'General case' 0 CA--C 1.507 -0.69 0 N-CA-C 109.505 -0.554 . . . . 2.96 109.505 175.212 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.451 ' HA ' ' HB2' ' A' ' 43' ' ' MET . 75.3 p -66.6 -32.42 73.74 Favored 'General case' 0 C--N 1.304 -1.404 0 CA-C-O 121.157 0.503 . . . . 1.19 112.238 -175.007 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -61.25 -33.14 73.04 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-O 121.845 0.831 . . . . 1.34 108.986 176.347 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 32.8 m -84.8 -17.41 38.26 Favored 'General case' 0 N--CA 1.44 -0.93 0 C-N-CA 124.537 1.135 . . . . 1.26 111.612 177.695 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.451 ' HB2' ' HA ' ' A' ' 40' ' ' SER . 8.4 tmm? -69.32 -22.23 63.79 Favored 'General case' 0 C--O 1.217 -0.64 0 N-CA-C 107.952 -1.129 . . . . 0.97 107.952 179.714 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.493 ' HA ' HG12 ' A' ' 47' ' ' VAL . 40.4 t -63.75 -23.79 34.2 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.448 0 CA-C-N 115.329 -0.85 . . . . 0.65 110.056 176.557 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -82.68 -21.98 34.72 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-O 121.717 0.77 . . . . 2.06 109.153 175.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.448 ' HA ' HG21 ' A' ' 14' ' ' ILE . 86.0 t -76.76 -57.35 6.09 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 N-CA-C 108.579 -0.897 . . . . 1.43 108.579 177.675 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.531 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 9.8 p -51.78 -41.21 29.06 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.632 0 N-CA-C 113.079 0.77 . . . . 0.53 113.079 -177.635 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 11.1 p -63.86 -32.43 57.04 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.789 0 C-N-CA 120.57 -0.452 . . . . 0.65 111.129 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.54 ' O ' ' HB2' ' A' ' 53' ' ' ARG . . . -86.01 -16.74 37.29 Favored 'General case' 0 C--O 1.213 -0.816 0 CA-C-N 115.878 -0.601 . . . . 0.32 109.999 179.121 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -81.54 -37.8 27.2 Favored 'General case' 0 C--N 1.306 -1.304 0 CA-C-N 116.025 -0.534 . . . . 0.36 110.008 177.741 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.531 ' HG3' ' O ' ' A' ' 47' ' ' VAL . 44.1 mt-10 -55.99 -43.29 77.51 Favored 'General case' 0 C--O 1.241 0.651 0 CA-C-O 121.341 0.591 . . . . 0.78 111.215 178.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.77 -32.01 59.74 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.389 -0.823 . . . . 0.96 111.238 179.002 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.54 ' HB2' ' O ' ' A' ' 49' ' ' ALA . 2.5 tpp180 -70.94 -47.33 59.62 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.259 -0.882 . . . . 3.85 110.769 -174.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.552 ' HB2' HG12 ' A' ' 56' ' ' VAL . 65.6 m-85 -97.6 -10.58 24.87 Favored 'General case' 0 C--N 1.311 -1.093 0 N-CA-C 113.184 0.809 . . . . 0.4 113.184 -174.441 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 70.41 50.13 0.41 Allowed 'General case' 0 N--CA 1.494 1.742 0 CA-C-O 121.613 0.72 . . . . 1.95 110.53 -176.662 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.933 HG11 HG23 ' A' ' 76' ' ' ILE . 3.1 p -147.77 106.79 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.297 -1.712 0 CA-C-N 114.993 -1.003 . . . . 1.37 109.7 -179.466 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 59.6 pttt -72.92 131.41 42.18 Favored 'General case' 0 C--N 1.291 -1.935 0 CA-C-N 115.522 -0.763 . . . . 3.34 109.383 177.336 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 59.4 mt -125.01 97.87 37.29 Favored Pre-proline 0 C--N 1.288 -2.105 0 CA-C-N 114.819 -1.082 . . . . 0.57 108.374 -175.25 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.417 ' HD2' ' HB2' ' A' ' 62' ' ' ASP . 33.0 Cg_exo -62.74 156.29 54.15 Favored 'Trans proline' 0 C--O 1.248 0.986 0 C-N-CA 122.397 2.065 . . . . 0.63 110.442 177.445 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.569 ' HA ' HG12 ' A' ' 63' ' ' VAL . 24.4 t70 -57.57 -38.73 75.29 Favored 'General case' 0 C--N 1.305 -1.364 0 CA-C-O 121.358 0.599 . . . . 2.3 111.292 -178.222 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -61.96 -36.7 82.2 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 115.484 -0.78 . . . . 2.38 111.491 177.121 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.417 ' HB2' ' HD2' ' A' ' 59' ' ' PRO . 1.7 m-20 -80.36 -32.92 37.65 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.894 -0.594 . . . . 1.52 112.462 -179.834 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.569 HG12 ' HA ' ' A' ' 60' ' ' ASP . 7.9 p -69.47 -45.24 78.94 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.499 0 CA-C-O 121.101 0.477 . . . . 0.79 110.355 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -64.77 -13.39 55.1 Favored 'General case' 0 C--N 1.31 -1.152 0 CA-C-N 115.284 -0.871 . . . . 1.24 112.554 177.547 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -83.05 -19.54 36.68 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-O 121.133 0.492 . . . . 2.07 110.426 -178.612 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.587 HD13 ' HA ' ' A' ' 72' ' ' ALA . 77.0 mt -95.86 174.5 6.92 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 116.169 -0.469 . . . . 0.6 110.338 -174.896 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -143.71 -58.25 0.4 Allowed 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 113.9 1.074 . . . . 2.69 113.9 -178.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.457 HG22 ' HB2' ' A' ' 31' ' ' SER . 64.0 p -99.21 -175.61 3.07 Favored 'General case' 0 N--CA 1.437 -1.121 0 O-C-N 121.674 -0.641 . . . . 0.46 109.556 -177.234 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.457 HG22 ' O ' ' A' ' 30' ' ' LYS . 33.4 m -84.62 -24.73 7.22 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.118 0 C-N-CA 119.727 -0.789 . . . . 0.66 109.752 177.186 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -82.51 -21.99 59.2 Favored Glycine 0 C--N 1.34 0.796 0 N-CA-C 110.691 -0.964 . . . . 0.46 110.691 178.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -78.83 -34.81 44.89 Favored 'General case' 0 C--N 1.305 -1.367 0 CA-C-N 114.873 -0.664 . . . . 1.62 109.29 175.564 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.587 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -77.05 -42.44 38.42 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 114.934 -1.03 . . . . 0.51 112.966 -177.374 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.546 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 1.6 p -49.47 -42.71 43.93 Favored 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 113.429 0.9 . . . . 0.46 113.429 -176.426 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -60.74 -44.13 97.05 Favored 'General case' 0 C--O 1.217 -0.612 0 O-C-N 123.645 0.59 . . . . 3.54 111.471 -178.717 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -65.28 -43.91 89.7 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.01 0.433 . . . . 0.83 110.003 177.731 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.933 HG23 HG11 ' A' ' 56' ' ' VAL . 93.5 mt -58.02 -65.78 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 114.769 -1.105 . . . . 0.65 111.036 -178.338 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 73' ' ' THR . 3.4 pp -61.83 -22.61 65.64 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 113.184 0.809 . . . . 1.74 113.184 -175.569 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 9.3 t70 . . . . . 0 C--N 1.307 -1.251 0 CA-C-N 115.932 -0.576 . . . . 1.32 111.026 179.082 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' ALA . . . . . 0.433 ' HB3' HD13 ' A' ' 7' ' ' ILE . . . . . . . . 0 N--CA 1.432 -1.333 0 N-CA-C 108.342 -0.984 . . . . 1.12 108.342 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.422 ' O ' HG12 ' A' ' 7' ' ' ILE . 4.0 m -92.55 166.66 12.4 Favored 'General case' 0 C--N 1.281 -2.374 0 C-N-CA 118.387 -1.325 . . . . 1.57 109.703 -177.209 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -43.92 -51.64 7.45 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 114.997 1.48 . . . . 1.76 114.997 -170.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -63.53 -29.32 70.6 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-O 121.666 0.746 . . . . 3.05 111.34 -178.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -85.79 -30.56 22.92 Favored 'General case' 0 N--CA 1.432 -1.353 0 CA-C-N 115.148 -0.933 . . . . 2.53 109.157 -178.642 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.5 HG21 HG22 ' A' ' 73' ' ' THR . 37.1 mm -63.14 -60.63 2.46 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.702 0 N-CA-C 108.343 -0.984 . . . . 0.45 108.343 175.151 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 97.9 t -52.13 -50.37 36.04 Favored 'Isoleucine or valine' 0 C--O 1.244 0.806 0 C-N-CA 123.775 0.83 . . . . 0.57 111.458 -178.106 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.57 -42.32 82.82 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.202 -0.454 . . . . 0.48 111.16 179.561 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -71.16 -41.21 60.49 Favored Glycine 0 N--CA 1.436 -1.36 0 CA-C-N 115.849 -0.614 . . . . 0.37 111.574 -178.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' A' ' 7' ' ' ILE . 91.5 mt -54.46 -47.98 72.28 Favored 'General case' 0 CA--C 1.507 -0.707 0 C-N-CA 123.142 0.577 . . . . 0.33 110.442 178.877 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.72 -23.52 67.4 Favored 'General case' 0 N--CA 1.44 -0.973 0 CA-C-N 115.38 -0.827 . . . . 0.28 112.601 -178.108 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -63.89 -49.23 73.51 Favored 'General case' 0 C--O 1.245 0.841 0 CA-C-O 120.776 0.322 . . . . 2.48 110.564 177.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.74 HG21 ' HA ' ' A' ' 46' ' ' VAL . 3.9 mp -72.69 -42.43 62.28 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.05 0 N-CA-C 108.542 -0.91 . . . . 0.44 108.542 179.507 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.433 HG12 ' CG1' ' A' ' 21' ' ' ILE . 88.8 t -59.1 -40.45 80.91 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.827 0 N-CA-C 112.457 0.54 . . . . 0.34 112.457 -178.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.474 ' HA ' ' H ' ' A' ' 21' ' ' ILE . 50.1 t-20 -65.84 -41.37 91.81 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.456 -0.572 . . . . 0.95 109.456 178.301 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -67.25 -46.41 73.82 Favored 'General case' 0 C--N 1.309 -1.191 0 CA-C-O 121.47 0.653 . . . . 2.11 110.447 -179.632 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 28.4 mm -70.92 -53.76 20.44 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.079 0 CA-C-N 115.598 -0.728 . . . . 0.71 112.519 -176.622 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -115.98 -35.17 4.51 Favored 'General case' 0 C--N 1.309 -1.173 0 N-CA-C 112.633 0.605 . . . . 0.68 112.633 -173.399 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.72 95.59 2.12 Favored Glycine 0 N--CA 1.436 -1.31 0 C-N-CA 119.77 -1.205 . . . . 0.93 112.243 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.474 ' H ' ' HA ' ' A' ' 16' ' ' ASN . 2.5 pp -132.27 160.95 65.85 Favored Pre-proline 0 C--N 1.297 -1.713 0 N-CA-C 109.255 -0.646 . . . . 0.6 109.255 176.503 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.45 ' HB2' ' HB2' ' A' ' 25' ' ' ASP . 15.9 Cg_exo -73.86 142.81 32.27 Favored 'Trans proline' 0 CA--C 1.548 1.193 0 C-N-CA 122.095 1.864 . . . . 0.75 110.604 172.51 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 32.1 m -80.04 7.92 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 N-CA-C 113.041 0.756 . . . . 1.48 113.041 -174.219 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -130.44 9.22 5.1 Favored 'General case' 0 C--N 1.294 -1.805 0 N-CA-C 108.559 -0.904 . . . . 2.03 108.559 177.255 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.604 ' O ' ' HE3' ' A' ' 30' ' ' LYS . 25.8 t70 -92.24 -33.7 14.56 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-O 121.413 0.625 . . . . 1.07 110.709 -176.286 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.521 ' HA ' ' HG3' ' A' ' 30' ' ' LYS . 45.2 t -77.0 88.95 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.296 -1.728 0 CA-C-N 115.217 -0.901 . . . . 0.73 111.956 -174.691 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -94.39 -174.0 3.22 Favored 'General case' 0 C--N 1.306 -1.304 0 N-CA-C 106.732 -1.581 . . . . 2.83 106.732 167.18 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.528 HD12 ' HA2' ' A' ' 70' ' ' GLY . 3.1 mm? -68.72 -31.81 71.15 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 118.506 0.594 . . . . 1.07 111.882 -174.845 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -81.65 36.91 0.45 Allowed 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.806 0.842 . . . . 2.47 111.49 -176.746 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.604 ' HE3' ' O ' ' A' ' 25' ' ' ASP . 60.3 mmtt -122.54 121.11 35.75 Favored 'General case' 0 C--N 1.314 -0.936 0 C-N-CA 123.609 0.763 . . . . 1.06 109.993 -179.8 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.656 ' HB2' HG22 ' A' ' 68' ' ' THR . 32.4 t -104.53 141.55 36.19 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 108.552 -0.907 . . . . 1.31 108.552 177.503 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.614 ' HA ' HD12 ' A' ' 36' ' ' LEU . 98.4 m-85 -56.34 -44.65 80.26 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 114.509 1.299 . . . . 1.03 114.509 -168.511 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.5 t -122.28 41.13 3.49 Favored 'General case' 0 C--N 1.285 -2.199 0 CA-C-O 122.575 1.179 . . . . 1.37 110.792 -179.4 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.412 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 13.6 t70 -137.03 -61.38 0.66 Allowed 'General case' 0 C--N 1.294 -1.832 0 N-CA-C 107.887 -1.153 . . . . 2.31 107.887 174.603 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -87.48 -35.84 18.0 Favored 'General case' 0 CA--C 1.491 -1.303 0 CA-C-N 114.524 -1.216 . . . . 1.67 109.109 179.7 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.614 HD12 ' HA ' ' A' ' 32' ' ' PHE . 84.3 mt -92.83 156.74 16.79 Favored 'General case' 0 N--CA 1.43 -1.433 0 CA-C-N 115.458 -0.792 . . . . 0.69 110.316 -175.448 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -93.9 40.71 1.08 Allowed 'General case' 0 C--N 1.309 -1.161 0 CA-C-O 122.638 1.209 . . . . 2.15 108.954 -177.388 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.484 HG23 ' HB3' ' A' ' 36' ' ' LEU . 39.5 t -99.15 115.37 39.63 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.437 0 CA-C-N 115.269 -0.878 . . . . 2.23 110.846 -175.104 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -58.46 118.62 5.79 Favored 'General case' 0 CA--C 1.509 -0.625 0 N-CA-C 105.959 -1.867 . . . . 2.96 105.959 168.546 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . 0.417 2.8 p -67.32 -30.0 69.72 Favored 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 117.767 2.506 . . . . 1.19 117.767 -170.84 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.9 mp -64.75 -24.09 67.45 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 118.791 -1.164 . . . . 1.34 110.442 172.642 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.3 m -84.17 -14.35 50.4 Favored 'General case' 0 N--CA 1.43 -1.435 0 CA-C-N 115.618 -0.719 . . . . 1.26 110.8 179.652 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 5.1 tmm? -72.39 -23.11 61.06 Favored 'General case' 0 C--O 1.215 -0.74 0 N-CA-C 107.815 -1.18 . . . . 0.97 107.815 179.256 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.517 ' HA ' HG12 ' A' ' 47' ' ' VAL . 47.9 t -62.64 -28.12 44.22 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.256 0 CA-C-N 115.821 -0.627 . . . . 0.65 110.201 177.737 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -74.73 -25.17 58.93 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.7 -0.852 . . . . 2.06 108.7 178.248 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.74 ' HA ' HG21 ' A' ' 14' ' ' ILE . 59.7 t -76.71 -60.63 2.16 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 CA-C-N 114.929 -1.032 . . . . 1.43 108.939 179.503 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.517 HG12 ' HA ' ' A' ' 44' ' ' VAL . 11.8 p -52.91 -42.05 42.24 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.105 0 N-CA-C 113.113 0.783 . . . . 0.53 113.113 -177.166 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 9.0 p -68.47 -26.67 34.08 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.13 0 CA-C-O 121.327 0.584 . . . . 0.65 111.179 -178.42 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -86.3 -26.84 24.71 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.767 0.794 . . . . 0.32 109.685 178.237 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.52 -36.87 76.84 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-N 115.506 -0.77 . . . . 0.36 111.039 -179.625 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -50.78 -56.68 10.96 Favored 'General case' 0 CA--C 1.533 0.315 0 O-C-N 123.713 0.633 . . . . 0.78 111.622 179.447 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -66.98 -39.91 87.3 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 115.621 -0.718 . . . . 0.96 112.832 -178.4 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -70.89 -38.97 73.06 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.704 0.631 . . . . 3.85 112.704 -174.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -94.01 -11.4 30.87 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.03 0.381 . . . . 0.4 112.03 -177.778 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 38.6 t70 69.79 68.81 0.24 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 122.448 1.118 . . . . 1.95 110.329 -177.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.513 HG11 HG23 ' A' ' 76' ' ' ILE . 13.7 p -155.01 163.65 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.402 0 CA-C-N 114.04 -1.437 . . . . 1.37 107.208 -179.77 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.413 ' HE3' ' HB3' ' A' ' 57' ' ' LYS . 22.5 mtpp -129.76 131.59 46.3 Favored 'General case' 0 C--N 1.291 -1.96 0 N-CA-C 109.638 -0.504 . . . . 3.34 109.638 172.393 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 61.4 mt -125.03 105.73 28.94 Favored Pre-proline 0 C--N 1.297 -1.711 0 CA-C-N 115.281 -0.872 . . . . 0.57 108.767 -176.172 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.445 ' O ' HG23 ' A' ' 63' ' ' VAL . 15.2 Cg_exo -71.16 156.89 58.72 Favored 'Trans proline' 0 N--CA 1.461 -0.431 0 C-N-CA 123.362 2.708 . . . . 0.63 112.238 179.307 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -45.26 -43.08 10.18 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 125.716 1.606 . . . . 2.3 112.325 -178.66 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -67.75 -27.84 67.12 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 115.644 -0.707 . . . . 2.38 111.834 -177.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.426 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 37.0 m-20 -86.59 -37.58 17.97 Favored 'General case' 0 C--N 1.308 -1.209 0 O-C-N 122.12 -0.363 . . . . 1.52 110.757 178.689 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 59' ' ' PRO . 87.5 t -53.39 -52.65 30.03 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.08 0 O-C-N 123.728 0.642 . . . . 0.79 109.481 177.588 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -72.42 -9.64 58.78 Favored 'General case' 0 C--N 1.31 -1.139 0 N-CA-C 113.109 0.781 . . . . 1.24 113.109 -177.764 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -91.91 -31.04 15.82 Favored 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 111.91 0.337 . . . . 2.07 111.91 -176.426 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.474 HD13 ' HA ' ' A' ' 72' ' ' ALA . 60.4 mt -73.04 175.4 6.71 Favored 'General case' 0 C--N 1.319 -0.755 0 C-N-CA 121.33 -0.148 . . . . 0.6 110.797 -175.408 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -141.18 -68.89 0.39 Allowed 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 113.408 0.892 . . . . 2.69 113.408 -178.228 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.656 HG22 ' HB2' ' A' ' 31' ' ' SER . 36.0 p -93.34 178.62 5.66 Favored 'General case' 0 N--CA 1.435 -1.183 0 N-CA-C 109.465 -0.568 . . . . 0.46 109.465 178.245 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.483 ' O ' HG23 ' A' ' 73' ' ' THR . 34.3 m -75.35 -26.15 18.41 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.299 0 N-CA-C 108.759 -0.83 . . . . 0.66 108.759 173.574 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.528 ' HA2' HD12 ' A' ' 28' ' ' LEU . . . -69.77 -46.2 54.68 Favored Glycine 0 N--CA 1.44 -1.051 0 N-CA-C 110.264 -1.135 . . . . 0.46 110.264 176.419 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -62.31 -28.84 70.01 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-O 121.717 0.77 . . . . 1.62 109.734 178.731 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.474 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -78.9 -45.8 19.81 Favored 'General case' 0 N--CA 1.43 -1.439 0 CA-C-N 115.034 -0.985 . . . . 0.51 110.811 -179.558 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.5 HG22 HG21 ' A' ' 7' ' ' ILE . 38.8 p -51.41 -38.34 53.0 Favored 'General case' 0 C--N 1.351 0.649 0 N-CA-C 113.608 0.966 . . . . 0.46 113.608 -176.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.7 tmtt? -63.01 -53.2 57.64 Favored 'General case' 0 C--O 1.211 -0.93 0 N-CA-C 108.603 -0.888 . . . . 3.54 108.603 179.336 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -59.35 -45.13 92.26 Favored 'General case' 0 N--CA 1.466 0.335 0 O-C-N 123.201 0.313 . . . . 0.83 111.157 -178.643 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.513 HG23 HG11 ' A' ' 56' ' ' VAL . 79.5 mt -57.6 -64.34 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 109.434 -0.58 . . . . 0.65 109.434 179.717 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 49.9 tp -55.1 -29.09 56.9 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.751 0.821 . . . . 1.74 111.752 -178.069 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 15.0 t70 . . . . . 0 C--N 1.309 -1.168 0 CA-C-N 115.453 -0.794 . . . . 1.32 110.861 -179.627 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.516 -0.365 0 N-CA-C 108.821 -0.807 . . . . 1.12 108.821 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.698 ' O ' HG12 ' A' ' 7' ' ' ILE . 1.2 m -109.65 -162.45 0.81 Allowed 'General case' 0 C--N 1.313 -1.005 0 CA-C-O 118.666 -0.683 . . . . 1.57 110.082 179.741 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.472 ' H ' HG22 ' A' ' 3' ' ' THR . 54.1 tt0 -53.85 -56.73 14.96 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 115.01 1.485 . . . . 1.76 115.01 -165.65 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -67.22 -35.98 80.71 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 120.893 0.378 . . . . 3.05 110.777 -176.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -68.55 -32.18 71.93 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 115.576 -0.738 . . . . 2.53 111.196 177.738 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.698 HG12 ' O ' ' A' ' 3' ' ' THR . 43.0 mm -67.88 -51.68 47.47 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.544 0 N-CA-C 107.884 -1.154 . . . . 0.45 107.884 177.743 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.531 HG11 ' HD3' ' A' ' 27' ' ' LYS . 56.5 t -49.06 -47.48 17.31 Favored 'Isoleucine or valine' 0 C--O 1.242 0.688 0 C-N-CA 123.994 0.918 . . . . 0.57 111.092 177.58 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.416 ' O ' ' HG3' ' A' ' 13' ' ' GLU . . . -61.84 -44.41 96.9 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.834 -0.621 . . . . 0.48 111.174 179.476 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -69.08 -37.29 82.29 Favored Glycine 0 N--CA 1.445 -0.743 0 CA-C-N 115.9 -0.591 . . . . 0.37 111.93 -177.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 7' ' ' ILE . 91.3 mt -57.28 -46.61 82.94 Favored 'General case' 0 CA--C 1.506 -0.725 0 CA-C-O 121.047 0.451 . . . . 0.33 110.032 178.286 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.641 ' HB2' ' HB ' ' A' ' 26' ' ' VAL . . . -70.63 -24.85 62.8 Favored 'General case' 0 N--CA 1.429 -1.488 0 CA-C-N 115.619 -0.719 . . . . 0.28 111.816 -179.086 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.416 ' HG3' ' O ' ' A' ' 9' ' ' ALA . 47.3 mt-10 -61.47 -47.28 86.38 Favored 'General case' 0 CA--C 1.509 -0.63 0 C-N-CA 121.04 -0.264 . . . . 2.48 110.444 176.042 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.512 HG21 ' HA ' ' A' ' 46' ' ' VAL . 3.1 mp -73.26 -44.01 56.08 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.882 0 C-N-CA 119.734 -0.786 . . . . 0.44 109.584 177.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.493 HG12 HG13 ' A' ' 21' ' ' ILE . 48.3 t -63.58 -23.72 34.05 Favored 'Isoleucine or valine' 0 CA--C 1.571 1.763 0 C-N-CA 120.107 -0.637 . . . . 0.34 112.268 -179.323 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -70.14 -39.46 75.39 Favored 'General case' 0 N--CA 1.477 0.899 0 O-C-N 121.466 -0.771 . . . . 0.95 110.977 176.502 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -79.19 -28.73 42.65 Favored 'General case' 0 C--N 1.318 -0.769 0 C-N-CA 119.735 -0.786 . . . . 2.11 111.176 179.407 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 46.2 mm -81.95 -53.78 11.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 116.497 -0.32 . . . . 0.71 111.687 179.592 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -107.38 -18.23 13.92 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 113.378 0.881 . . . . 0.68 113.378 -173.132 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.54 24.95 40.8 Favored Glycine 0 C--N 1.318 -0.468 0 C-N-CA 120.669 -0.777 . . . . 0.93 113.568 177.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.493 HG13 HG12 ' A' ' 15' ' ' VAL . 2.5 pp -80.3 155.1 74.54 Favored Pre-proline 0 C--N 1.311 -1.068 0 N-CA-C 112.017 0.377 . . . . 0.6 112.017 -179.809 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_exo -65.37 148.3 88.09 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 122.075 1.85 . . . . 0.75 109.274 172.123 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.432 HG23 ' HB3' ' A' ' 12' ' ' ALA . 13.1 p -71.22 -16.8 19.55 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.018 0 CA-C-O 121.701 0.762 . . . . 1.48 111.228 -176.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -87.78 -6.58 58.09 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.851 -0.613 . . . . 2.03 110.463 176.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.497 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 35.6 t70 -79.36 -43.39 23.57 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-O 120.742 0.306 . . . . 1.07 111.335 -174.823 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.641 ' HB ' ' HB2' ' A' ' 12' ' ' ALA . 70.3 t -82.1 92.67 2.41 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.061 0 N-CA-C 109.172 -0.677 . . . . 0.73 109.172 179.124 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.531 ' HD3' HG11 ' A' ' 8' ' ' VAL . 53.1 mmtt -125.6 176.95 6.51 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 115.432 -0.804 . . . . 2.83 109.928 179.048 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.585 HD12 ' HA2' ' A' ' 70' ' ' GLY . 3.1 mm? -54.89 -35.51 64.18 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.931 0.892 . . . . 1.07 112.777 -172.46 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -77.59 -3.77 42.48 Favored 'General case' 0 C--N 1.316 -0.883 0 C-N-CA 123.588 0.755 . . . . 2.47 112.601 -175.533 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.497 ' HG3' ' O ' ' A' ' 25' ' ' ASP . 35.8 mmtp -103.03 142.24 34.45 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 122.207 -0.308 . . . . 1.06 111.299 -176.562 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.682 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 26.8 t -108.73 149.73 28.6 Favored 'General case' 0 C--O 1.255 1.359 0 N-CA-C 107.579 -1.267 . . . . 1.31 107.579 168.737 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.635 ' HA ' HD12 ' A' ' 36' ' ' LEU . 65.8 m-85 -61.71 -49.82 74.93 Favored 'General case' 0 C--O 1.215 -0.713 0 N-CA-C 115.089 1.515 . . . . 1.03 115.089 -167.71 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.596 HG21 ' HB3' ' A' ' 40' ' ' SER . 13.5 t -119.06 46.07 1.96 Allowed 'General case' 0 C--N 1.295 -1.796 0 C-N-CA 117.912 -1.515 . . . . 1.37 110.308 177.154 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.595 ' HB2' ' HB3' ' A' ' 31' ' ' SER . 22.4 m-20 -136.05 -47.84 0.66 Allowed 'General case' 0 CA--C 1.496 -1.119 0 CA-C-N 114.035 -1.439 . . . . 2.31 108.498 175.663 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -107.86 -32.22 7.69 Favored 'General case' 0 CA--C 1.481 -1.685 0 CA-C-N 115.294 -0.866 . . . . 1.67 110.322 -178.798 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.635 HD12 ' HA ' ' A' ' 32' ' ' PHE . 77.2 mt -89.69 156.26 18.67 Favored 'General case' 0 N--CA 1.426 -1.633 0 N-CA-C 107.875 -1.157 . . . . 0.69 107.875 178.344 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -92.88 18.84 8.4 Favored 'General case' 0 C--N 1.302 -1.498 0 CA-C-O 122.828 1.299 . . . . 2.15 109.437 -179.254 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.493 HG23 ' HB3' ' A' ' 36' ' ' LEU . 21.7 t -89.53 100.63 11.12 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.015 0 CA-C-N 113.731 -1.577 . . . . 2.23 107.856 -178.877 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -56.64 149.2 18.16 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 109.74 -0.467 . . . . 2.96 109.74 177.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.596 ' HB3' HG21 ' A' ' 33' ' ' THR . 35.8 p -60.74 -40.23 91.65 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 112.654 0.613 . . . . 1.19 112.654 -175.182 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.1 mp -65.84 -23.03 66.59 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.505 0.669 . . . . 1.34 110.415 -179.559 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 48.9 m -81.99 -30.58 31.54 Favored 'General case' 0 N--CA 1.435 -1.178 0 CA-C-N 115.349 -0.841 . . . . 1.26 110.684 178.163 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 9.0 tmm? -70.08 -23.0 62.99 Favored 'General case' 0 C--O 1.219 -0.509 0 N-CA-C 108.95 -0.759 . . . . 0.97 108.95 -178.566 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 43.2 t -57.12 -31.89 38.6 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.165 0 CA-C-N 115.526 -0.761 . . . . 0.65 110.533 178.38 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -74.67 -29.1 61.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.72 0.772 . . . . 2.06 109.733 178.855 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.512 ' HA ' HG21 ' A' ' 14' ' ' ILE . 93.8 t -75.21 -58.91 3.82 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.068 0 CA-C-N 114.787 -1.097 . . . . 1.43 110.394 -178.243 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.429 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 12.1 p -51.7 -42.07 30.34 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.924 0 N-CA-C 113.327 0.862 . . . . 0.53 113.327 -175.589 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 11.5 p -69.94 -23.11 25.15 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.994 0 CA-C-O 121.576 0.703 . . . . 0.65 111.018 -178.608 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -86.21 -29.16 23.39 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.595 0.712 . . . . 0.32 109.233 177.418 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.64 -27.73 63.28 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.684 -0.689 . . . . 0.36 111.491 -179.643 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.431 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 91.7 mt-10 -53.95 -51.22 64.5 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-O 121.698 0.761 . . . . 0.78 110.247 177.848 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -79.74 -31.7 41.05 Favored 'General case' 0 C--N 1.307 -1.264 0 CA-C-N 115.391 -0.822 . . . . 0.96 111.453 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -62.86 -45.87 90.55 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 122.765 0.426 . . . . 3.85 110.98 -176.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.541 ' HB2' HG12 ' A' ' 56' ' ' VAL . 59.1 m-85 -104.05 6.52 36.05 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 120.541 -0.464 . . . . 0.4 112.137 -176.269 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 31.8 t70 63.34 38.17 10.4 Favored 'General case' 0 N--CA 1.489 1.487 0 CA-C-O 122.886 1.327 . . . . 1.95 110.454 177.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.956 HG11 HG23 ' A' ' 76' ' ' ILE . 6.8 p -131.97 104.66 8.48 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.277 0 CA-C-N 115.027 -0.988 . . . . 1.37 110.929 -176.273 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -72.77 93.95 1.73 Allowed 'General case' 0 C--N 1.292 -1.912 0 CA-C-N 115.124 -0.944 . . . . 3.34 108.946 176.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.589 HD11 HG12 ' A' ' 76' ' ' ILE . 73.7 mt -88.42 112.7 51.58 Favored Pre-proline 0 C--N 1.305 -1.337 0 CA-C-N 115.474 -0.785 . . . . 0.57 109.37 -179.118 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.45 ' O ' HG23 ' A' ' 63' ' ' VAL . 34.6 Cg_exo -63.8 146.78 92.27 Favored 'Trans proline' 0 N--CA 1.456 -0.711 0 C-N-CA 122.7 2.267 . . . . 0.63 110.798 179.377 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -53.88 -33.11 55.5 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.418 0.687 . . . . 2.3 111.149 -179.518 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -62.99 -44.55 95.71 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.672 -0.695 . . . . 2.38 110.767 177.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.525 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 6.7 m-20 -71.67 -29.8 65.01 Favored 'General case' 0 CA--C 1.499 -0.992 0 CA-C-N 116.159 -0.473 . . . . 1.52 111.988 -178.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 59' ' ' PRO . 59.9 t -60.5 -41.18 86.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 109.078 -0.712 . . . . 0.79 109.078 176.861 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -76.41 -13.41 60.12 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.214 -0.903 . . . . 1.24 111.136 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -89.88 -24.17 21.44 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-O 120.927 0.394 . . . . 2.07 110.888 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' A' ' 62' ' ' ASP . 91.2 mt -77.55 169.53 18.14 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.361 -0.381 . . . . 0.6 110.286 -178.131 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.423 ' HG3' ' H ' ' A' ' 68' ' ' THR . 38.4 pttt -148.86 -75.09 0.17 Allowed 'General case' 0 C--N 1.311 -1.081 0 N-CA-C 112.368 0.507 . . . . 2.69 112.368 -177.809 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.682 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 69.5 p -85.96 175.32 8.67 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.906 -0.496 . . . . 0.46 110.213 -179.304 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 88.8 t -70.51 -37.09 68.85 Favored 'Isoleucine or valine' 0 N--CA 1.408 -2.538 0 N-CA-C 107.225 -1.398 . . . . 0.66 107.225 173.178 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.585 ' HA2' HD12 ' A' ' 28' ' ' LEU . . . -63.13 -37.38 94.82 Favored Glycine 0 N--CA 1.45 -0.409 0 CA-C-N 115.553 -0.749 . . . . 0.46 112.634 177.744 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -77.16 -36.64 55.04 Favored 'General case' 0 C--N 1.315 -0.921 0 O-C-N 122.332 -0.51 . . . . 1.62 110.411 179.058 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.434 ' HA ' HD22 ' A' ' 66' ' ' LEU . . . -66.03 -53.78 34.22 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.544 -0.753 . . . . 0.51 110.791 -177.624 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.404 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 14.6 p -50.06 -53.01 29.92 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 123.869 0.868 . . . . 0.46 111.525 -178.821 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 21.5 tptm -51.14 -40.19 57.99 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.316 1.446 . . . . 3.54 111.416 -178.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.481 ' HE2' HG23 ' A' ' 58' ' ' ILE . 61.5 t80 -76.55 -48.21 20.07 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 120.755 0.312 . . . . 0.83 110.639 177.073 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.956 HG23 HG11 ' A' ' 56' ' ' VAL . 94.5 mt -50.4 -57.53 2.41 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 C-N-CA 123.982 0.913 . . . . 0.65 111.341 -178.782 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 73' ' ' THR . 4.5 pp -64.76 -21.84 66.85 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 112.905 0.705 . . . . 1.74 112.905 -178.021 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 30.2 t70 . . . . . 0 C--N 1.3 -1.583 0 C-N-CA 120.523 -0.471 . . . . 1.32 111.303 -178.164 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.438 -1.066 0 CA-C-O 120.833 0.349 . . . . 1.12 110.339 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.508 ' O ' HG12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -92.6 -164.67 1.21 Allowed 'General case' 0 C--N 1.307 -1.246 0 CA-C-O 119.14 -0.457 . . . . 1.57 110.285 -178.2 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.594 ' HB2' HD11 ' A' ' 28' ' ' LEU . 0.3 OUTLIER -60.64 -40.22 91.16 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 114.431 1.271 . . . . 1.76 114.431 -170.375 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -68.06 -45.22 74.45 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.408 0.623 . . . . 3.05 109.457 179.606 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -64.66 -37.65 88.3 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 114.581 -1.19 . . . . 2.53 110.372 -179.594 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.508 HG12 ' O ' ' A' ' 3' ' ' THR . 39.2 mm -71.24 -52.84 23.96 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.378 0 CA-C-N 116.124 -0.489 . . . . 0.45 110.262 179.213 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.495 ' HA ' HD12 ' A' ' 11' ' ' LEU . 93.3 t -59.94 -36.98 70.2 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 N-CA-C 112.071 0.397 . . . . 0.57 112.071 -178.558 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.69 -34.02 76.27 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 121.127 0.489 . . . . 0.48 110.54 176.861 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.523 ' O ' ' HB3' ' A' ' 13' ' ' GLU . . . -77.53 -36.91 32.35 Favored Glycine 0 N--CA 1.439 -1.112 0 N-CA-C 110.684 -0.966 . . . . 0.37 110.684 176.867 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.495 HD12 ' HA ' ' A' ' 8' ' ' VAL . 95.1 mt -58.58 -51.72 68.69 Favored 'General case' 0 CA--C 1.51 -0.565 0 CA-C-O 121.294 0.569 . . . . 0.33 109.661 177.164 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.413 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -67.71 -18.67 64.99 Favored 'General case' 0 C--O 1.202 -1.442 0 CA-C-N 115.25 -0.886 . . . . 0.28 112.095 -178.424 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.523 ' HB3' ' O ' ' A' ' 10' ' ' GLY . 7.6 tp10 -66.27 -52.61 45.79 Favored 'General case' 0 N--CA 1.425 -1.724 0 N-CA-C 109.05 -0.722 . . . . 2.48 109.05 177.354 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.529 HG21 ' HA ' ' A' ' 46' ' ' VAL . 3.8 mp -72.41 -35.66 52.45 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.941 0 C-N-CA 119.614 -0.835 . . . . 0.44 109.607 178.133 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 56.2 t -67.07 -23.3 30.48 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.18 0 CA-C-O 121.274 0.559 . . . . 0.34 111.582 178.39 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.458 ' O ' ' HA2' ' A' ' 20' ' ' GLY . 28.1 t-20 -72.0 -29.86 64.64 Favored 'General case' 0 C--N 1.313 -1.018 0 O-C-N 121.473 -0.767 . . . . 0.95 109.946 175.497 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -80.86 -40.03 25.46 Favored 'General case' 0 C--N 1.302 -1.462 0 CA-C-N 115.619 -0.719 . . . . 2.11 109.738 178.721 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.479 HG13 HG22 ' A' ' 46' ' ' VAL . 47.2 mm -78.82 -53.46 13.62 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.267 0 CA-C-N 115.936 -0.574 . . . . 0.71 111.514 -177.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -100.04 -49.52 4.28 Favored 'General case' 0 C--N 1.302 -1.48 0 CA-C-O 120.802 0.334 . . . . 0.68 110.786 -176.406 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.458 ' HA2' ' O ' ' A' ' 16' ' ' ASN . . . 116.35 3.58 18.85 Favored Glycine 0 C--N 1.315 -0.608 0 C-N-CA 119.653 -1.261 . . . . 0.93 114.192 178.252 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.609 HG21 HD22 ' A' ' 36' ' ' LEU . 2.2 pp -64.63 146.95 98.15 Favored Pre-proline 0 C--N 1.317 -0.829 0 N-CA-C 112.513 0.56 . . . . 0.6 112.513 178.566 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 21' ' ' ILE . 13.4 Cg_exo -70.22 135.11 28.55 Favored 'Trans proline' 0 N--CA 1.445 -1.325 0 C-N-CA 122.299 1.999 . . . . 0.75 109.811 177.293 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.413 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 33.7 m -63.88 -28.88 45.88 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.951 0 CA-C-O 121.351 0.596 . . . . 1.48 110.599 -178.224 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -74.48 -14.84 60.88 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.329 -0.851 . . . . 2.03 110.788 -179.469 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -92.83 -19.12 22.04 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-O 121.271 0.558 . . . . 1.07 110.84 -175.14 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.721 ' HA ' ' HG3' ' A' ' 30' ' ' LYS . 39.8 t -94.03 94.96 4.85 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.583 0 CA-C-N 116.016 -0.538 . . . . 0.73 110.922 -176.139 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -93.68 -169.62 2.15 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 107.156 -1.424 . . . . 2.83 107.156 172.012 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.594 HD11 ' HB2' ' A' ' 4' ' ' GLN . 4.4 mm? -73.22 -11.91 60.68 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 112.353 0.501 . . . . 1.07 112.353 -178.524 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -90.3 18.46 6.04 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 121.535 0.683 . . . . 2.47 110.818 -177.135 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.721 ' HG3' ' HA ' ' A' ' 26' ' ' VAL . 72.3 mmtt -104.38 166.78 10.17 Favored 'General case' 0 C--N 1.303 -1.445 0 CA-C-O 121.574 0.702 . . . . 1.06 110.372 179.255 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.45 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 30.8 t -140.28 161.92 36.52 Favored 'General case' 0 C--N 1.286 -2.191 0 N-CA-C 106.162 -1.792 . . . . 1.31 106.162 176.226 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.492 ' O ' ' HB2' ' A' ' 36' ' ' LEU . 97.6 m-85 -77.67 -48.43 16.79 Favored 'General case' 0 CA--C 1.48 -1.716 0 C-N-CA 120.708 -0.397 . . . . 1.03 110.033 -171.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.621 HG21 ' OG ' ' A' ' 40' ' ' SER . 76.4 p -119.43 -2.24 10.6 Favored 'General case' 0 N--CA 1.412 -2.361 0 C-N-CA 118.033 -1.467 . . . . 1.37 113.64 -179.295 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -91.93 -25.49 18.87 Favored 'General case' 0 CA--C 1.484 -1.586 0 C-N-CA 120.007 -0.677 . . . . 2.31 110.059 176.479 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.411 ' HB3' ' H ' ' A' ' 31' ' ' SER . 10.8 t70 -117.88 -52.08 2.44 Favored 'General case' 0 C--N 1.309 -1.191 0 C-N-CA 120.082 -0.647 . . . . 1.67 109.557 178.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.609 HD22 HG21 ' A' ' 21' ' ' ILE . 82.9 mt -75.07 168.06 20.71 Favored 'General case' 0 C--O 1.241 0.647 0 CA-C-O 121.153 0.501 . . . . 0.69 110.813 -176.778 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -92.22 10.9 27.59 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 115.9 -0.591 . . . . 2.15 110.687 -173.145 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.533 HG11 ' HB2' ' A' ' 43' ' ' MET . 47.0 t -52.41 130.92 13.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 C-N-CA 123.706 0.802 . . . . 2.23 111.016 -177.106 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -70.35 16.73 0.07 Allowed 'General case' 0 CA--C 1.568 1.65 0 C-N-CA 125.621 1.568 . . . . 2.96 112.474 -176.399 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.621 ' OG ' HG21 ' A' ' 33' ' ' THR . 3.5 m 63.48 -74.13 0.04 OUTLIER 'General case' 0 CA--C 1.513 -0.475 0 N-CA-C 115.161 1.541 . . . . 1.19 115.161 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.9 mp -61.88 -25.8 67.76 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 122.212 1.006 . . . . 1.34 109.758 -176.375 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 41.3 m -74.95 -20.12 59.82 Favored 'General case' 0 C--N 1.301 -1.506 0 CA-C-N 114.34 -1.3 . . . . 1.26 112.268 179.724 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.533 ' HB2' HG11 ' A' ' 38' ' ' VAL . 8.0 tmm? -74.54 -21.6 59.44 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 108.454 -0.943 . . . . 0.97 108.454 -179.187 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 37.2 t -61.27 -27.19 41.32 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.488 0 CA-C-N 115.621 -0.718 . . . . 0.65 109.778 178.138 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -79.93 -18.4 50.6 Favored 'General case' 0 C--N 1.34 0.18 0 CA-C-N 115.937 -0.574 . . . . 2.06 111.187 175.455 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.529 ' HA ' HG21 ' A' ' 14' ' ' ILE . 94.8 t -77.58 -58.18 4.63 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.003 0 N-CA-C 108.093 -1.076 . . . . 1.43 108.093 176.286 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.418 HG11 HG11 ' A' ' 63' ' ' VAL . 11.9 p -57.46 -34.45 46.71 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.235 0 N-CA-C 113.486 0.921 . . . . 0.53 113.486 -176.777 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 14.8 p -66.58 -31.12 52.12 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.827 0 CA-C-O 121.507 0.67 . . . . 0.65 110.165 177.355 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.544 ' O ' ' HB2' ' A' ' 53' ' ' ARG . . . -82.7 -25.01 33.38 Favored 'General case' 0 N--CA 1.443 -0.806 0 N-CA-C 109.223 -0.658 . . . . 0.32 109.223 178.253 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.43 -38.13 80.9 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-N 115.751 -0.658 . . . . 0.36 111.43 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.439 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 41.0 mt-10 -53.32 -54.02 42.48 Favored 'General case' 0 C--O 1.214 -0.814 0 CA-C-O 121.275 0.56 . . . . 0.78 110.742 178.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -72.62 -31.92 65.53 Favored 'General case' 0 C--N 1.306 -1.316 0 CA-C-N 115.567 -0.742 . . . . 0.96 111.749 -179.009 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.544 ' HB2' ' O ' ' A' ' 49' ' ' ALA . 4.0 tpt180 -66.59 -40.51 88.94 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.166 0.507 . . . . 3.85 110.36 -176.602 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.447 ' HB2' HG12 ' A' ' 56' ' ' VAL . 36.4 m-85 -104.32 1.25 30.12 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 116.191 -0.459 . . . . 0.4 110.981 -177.578 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 29.8 t70 60.89 34.11 19.68 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.963 1.305 . . . . 1.95 110.73 177.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.587 HG11 HG23 ' A' ' 76' ' ' ILE . 5.6 p -138.1 109.03 5.36 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.129 0 CA-C-N 114.971 -1.013 . . . . 1.37 109.273 -178.41 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -74.03 143.26 45.6 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 115.326 -0.852 . . . . 3.34 112.732 -177.115 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.497 HG12 ' HE2' ' A' ' 75' ' ' TYR . 28.9 mt -132.54 100.35 15.09 Favored Pre-proline 0 C--N 1.306 -1.302 0 CA-C-N 114.593 -1.185 . . . . 0.57 108.492 -174.733 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.485 ' O ' HG23 ' A' ' 63' ' ' VAL . 52.3 Cg_exo -57.03 137.41 81.83 Favored 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 123.123 2.549 . . . . 0.63 111.676 178.395 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -47.99 -41.62 25.83 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 125.461 1.504 . . . . 2.3 112.673 -175.476 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -59.48 -43.95 93.15 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.866 -0.606 . . . . 2.38 111.777 178.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.438 ' HA ' ' ND2' ' A' ' 65' ' ' ASN . 10.8 t70 -86.2 -19.65 29.71 Favored 'General case' 0 C--N 1.314 -0.96 0 C-N-CA 120.657 -0.417 . . . . 1.52 111.562 -174.098 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 59' ' ' PRO . 83.4 t -53.87 -56.83 7.32 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.107 0 N-CA-C 108.887 -0.783 . . . . 0.79 108.887 174.782 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt -72.16 -2.07 17.32 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.162 -0.927 . . . . 1.24 112.817 -173.441 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.438 ' ND2' ' HA ' ' A' ' 62' ' ' ASP . 92.7 m-20 -83.26 -14.44 53.15 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.793 -0.639 . . . . 2.07 109.534 175.237 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.572 HD13 ' HA ' ' A' ' 72' ' ' ALA . 77.2 mt -87.75 177.07 7.12 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 109.162 -0.681 . . . . 0.6 109.162 179.818 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.429 ' HG3' ' H ' ' A' ' 68' ' ' THR . 14.9 ptpt -149.33 -70.61 0.2 Allowed 'General case' 0 C--N 1.312 -1.032 0 N-CA-C 113.691 0.997 . . . . 2.69 113.691 -177.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.448 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 73.8 p -88.77 -178.74 5.84 Favored 'General case' 0 N--CA 1.438 -1.066 0 O-C-N 121.657 -0.652 . . . . 0.46 109.431 -178.517 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 28.6 m -83.59 -13.56 11.8 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 C-N-CA 119.455 -0.898 . . . . 0.66 109.002 175.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.576 ' HA2' HD12 ' A' ' 28' ' ' LEU . . . -83.42 -29.8 32.12 Favored Glycine 0 N--CA 1.439 -1.147 0 N-CA-C 110.029 -1.229 . . . . 0.46 110.029 175.663 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.491 ' OD2' ' HA ' ' A' ' 66' ' ' LEU . 35.7 t70 -83.07 -34.78 26.11 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 120.981 0.419 . . . . 1.62 110.292 176.653 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.572 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -64.82 -32.59 74.36 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.292 0.568 . . . . 0.51 111.125 -179.645 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.9 p -72.73 -21.58 61.01 Favored 'General case' 0 N--CA 1.413 -2.284 0 CA-C-N 115.766 -0.652 . . . . 0.46 112.61 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 55.5 tptt -61.21 -50.17 74.18 Favored 'General case' 0 C--O 1.219 -0.501 0 C-N-CA 123.032 0.533 . . . . 3.54 110.444 -179.394 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.497 ' HE2' HG12 ' A' ' 58' ' ' ILE . 85.9 t80 -62.19 -41.12 98.05 Favored 'General case' 0 C--O 1.244 0.799 0 CA-C-O 121.848 0.832 . . . . 0.83 110.869 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.587 HG23 HG11 ' A' ' 56' ' ' VAL . 93.8 mt -66.68 -65.37 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.455 0 CA-C-N 114.718 -1.128 . . . . 0.65 110.384 -178.879 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 10.8 mp -54.55 -21.98 11.81 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 125.191 1.396 . . . . 1.74 112.986 178.827 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 31.3 t70 . . . . . 0 C--N 1.31 -1.149 0 CA-C-O 120.907 0.384 . . . . 1.32 110.644 174.869 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.241 0.637 0 N-CA-C 107.576 -1.268 . . . . 1.12 107.576 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.601 ' O ' HG12 ' A' ' 7' ' ' ILE . 0.3 OUTLIER -93.18 175.72 6.67 Favored 'General case' 0 C--N 1.3 -1.558 0 C-N-CA 118.956 -1.098 . . . . 1.57 111.862 -174.873 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.481 ' H ' HG22 ' A' ' 3' ' ' THR . 12.1 pt20 -54.22 -41.02 68.2 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 114.206 1.188 . . . . 1.76 114.206 -170.065 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -65.69 -45.21 83.66 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.426 -0.583 . . . . 3.05 109.426 178.657 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 -59.97 -41.02 91.07 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 115.54 -0.755 . . . . 2.53 109.859 176.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.601 HG12 ' O ' ' A' ' 3' ' ' THR . 48.7 mm -62.18 -58.74 6.21 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.236 0 CA-C-N 115.428 -0.805 . . . . 0.45 109.625 179.612 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.549 ' HA ' HD12 ' A' ' 11' ' ' LEU . 94.2 t -54.42 -49.96 61.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 123.447 0.699 . . . . 0.57 111.68 -178.247 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.43 -36.74 74.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.435 -0.348 . . . . 0.48 110.934 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.433 ' C ' ' HZ ' ' A' ' 54' ' ' PHE . . . -70.68 -39.82 66.46 Favored Glycine 0 N--CA 1.445 -0.758 0 N-CA-C 110.74 -0.944 . . . . 0.37 110.74 178.66 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.549 HD12 ' HA ' ' A' ' 8' ' ' VAL . 96.9 mt -55.56 -46.24 77.2 Favored 'General case' 0 C--O 1.24 0.556 0 C-N-CA 123.342 0.657 . . . . 0.33 110.059 178.748 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.42 -23.9 67.06 Favored 'General case' 0 N--CA 1.44 -0.936 0 CA-C-N 115.275 -0.875 . . . . 0.28 112.259 -178.81 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -66.31 -43.77 85.27 Favored 'General case' 0 CA--C 1.508 -0.642 0 N-CA-C 110.454 -0.202 . . . . 2.48 110.454 177.36 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.839 ' HB ' HG23 ' A' ' 46' ' ' VAL . 4.6 mp -78.46 -36.85 20.77 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.876 0 C-N-CA 119.016 -1.074 . . . . 0.44 109.089 178.175 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.596 HG23 HG21 ' A' ' 46' ' ' VAL . 97.8 t -63.73 -23.18 32.7 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.316 0 CA-C-O 121.589 0.709 . . . . 0.34 111.618 177.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -66.36 -28.48 68.68 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.301 0.572 . . . . 0.95 110.159 174.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -83.43 -43.82 15.44 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 109.054 -0.721 . . . . 2.11 109.054 174.499 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.613 HG13 ' HB ' ' A' ' 46' ' ' VAL . 51.0 mm -58.04 -52.64 55.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.291 -0.868 . . . . 0.71 111.01 -178.259 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -124.23 -42.67 2.11 Favored 'General case' 0 C--N 1.313 -1.008 0 N-CA-C 112.196 0.443 . . . . 0.68 112.196 -177.715 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 106.23 52.82 0.76 Allowed Glycine 0 C--N 1.316 -0.567 0 C-N-CA 119.506 -1.33 . . . . 0.93 112.621 -179.365 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.466 HG13 HG12 ' A' ' 15' ' ' VAL . 1.8 pp -98.87 161.49 24.74 Favored Pre-proline 0 C--N 1.307 -1.254 0 O-C-N 122.72 -0.283 . . . . 0.6 110.926 177.682 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.449 ' HB2' ' HB2' ' A' ' 25' ' ' ASP . 16.3 Cg_exo -73.38 131.37 16.24 Favored 'Trans proline' 0 N--CA 1.451 -0.987 0 C-N-CA 122.547 2.164 . . . . 0.75 109.787 175.457 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 14.0 p -61.24 -33.03 54.63 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.143 0 N-CA-C 112.305 0.483 . . . . 1.48 112.305 -176.162 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -89.12 -2.9 58.74 Favored 'General case' 0 C--N 1.32 -0.685 0 O-C-N 122.08 -0.388 . . . . 2.03 111.532 -179.066 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.449 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 24.7 t70 -85.1 -28.56 25.51 Favored 'General case' 0 C--O 1.24 0.598 0 CA-C-O 121.903 0.859 . . . . 1.07 109.552 -177.895 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 32.9 t -82.06 95.35 3.07 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.581 0 CA-C-N 114.385 -1.28 . . . . 0.73 109.472 -179.467 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -106.95 178.34 4.59 Favored 'General case' 0 C--N 1.309 -1.188 0 N-CA-C 109.134 -0.691 . . . . 2.83 109.134 173.226 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.451 HD13 HG21 ' A' ' 8' ' ' VAL . 3.8 mm? -51.29 -36.91 44.68 Favored 'General case' 0 N--CA 1.484 1.27 0 N-CA-C 114.659 1.355 . . . . 1.07 114.659 -172.83 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -85.0 10.96 10.46 Favored 'General case' 0 C--N 1.304 -1.376 0 N-CA-C 112.939 0.718 . . . . 2.47 112.939 -176.715 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.518 ' HD2' ' HB3' ' A' ' 35' ' ' ASP . 74.9 mmtt -98.17 140.97 31.69 Favored 'General case' 0 C--N 1.309 -1.182 0 O-C-N 122.268 -0.27 . . . . 1.06 110.655 179.138 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.67 ' OG ' ' HB2' ' A' ' 34' ' ' ASP . 8.7 p -113.89 163.77 14.65 Favored 'General case' 0 C--N 1.295 -1.793 0 N-CA-C 107.808 -1.182 . . . . 1.31 107.808 175.232 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.456 ' O ' ' HB2' ' A' ' 36' ' ' LEU . 91.1 m-85 -74.02 -39.64 63.44 Favored 'General case' 0 N--CA 1.445 -0.689 0 N-CA-C 113.396 0.888 . . . . 1.03 113.396 -170.392 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.644 HG21 ' HB3' ' A' ' 40' ' ' SER . 8.9 t -128.42 30.66 5.14 Favored 'General case' 0 C--N 1.298 -1.656 0 CA-C-O 122.885 1.326 . . . . 1.37 111.594 -175.771 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.67 ' HB2' ' OG ' ' A' ' 31' ' ' SER . 2.8 m-20 -126.94 -61.72 1.16 Allowed 'General case' 0 C--N 1.298 -1.636 0 CA-C-N 114.788 -1.097 . . . . 2.31 108.139 174.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.518 ' HB3' ' HD2' ' A' ' 30' ' ' LYS . 2.8 m-20 -80.9 -39.75 25.79 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 116.316 -0.402 . . . . 1.67 110.793 174.296 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.456 ' HB2' ' O ' ' A' ' 32' ' ' PHE . 77.4 mt -90.93 177.97 6.15 Favored 'General case' 0 N--CA 1.43 -1.464 0 C-N-CA 120.25 -0.58 . . . . 0.69 109.504 -179.059 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -124.3 72.48 1.19 Allowed 'General case' 0 C--N 1.294 -1.842 0 N-CA-C 106.416 -1.698 . . . . 2.15 106.416 -178.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 48.6 t -131.46 113.72 23.96 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.702 0 CA-C-N 113.411 -1.722 . . . . 2.23 107.865 -173.64 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -49.41 125.09 10.44 Favored 'General case' 0 CA--C 1.51 -0.589 0 O-C-N 124.236 0.96 . . . . 2.96 109.533 176.583 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.644 ' HB3' HG21 ' A' ' 33' ' ' THR . 78.6 p -72.22 -35.58 68.93 Favored 'General case' 0 C--N 1.279 -2.477 0 CA-C-N 115.008 -0.996 . . . . 1.19 112.064 -172.737 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.7 mp -64.83 -30.06 71.05 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.036 -1.098 . . . . 1.34 108.036 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 27.6 m -80.41 -15.3 57.15 Favored 'General case' 0 N--CA 1.434 -1.25 0 CA-C-N 114.106 -1.407 . . . . 1.26 111.692 179.272 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 30.4 ttp -67.73 -22.16 65.26 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-O 121.291 0.567 . . . . 0.97 110.341 -177.572 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.507 ' HA ' HG12 ' A' ' 47' ' ' VAL . 59.2 t -54.1 -40.2 45.25 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.468 0 CA-C-N 115.597 -0.729 . . . . 0.65 109.779 177.595 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -66.5 -29.89 70.1 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.93 -0.577 . . . . 2.06 111.97 -178.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.839 HG23 ' HB ' ' A' ' 14' ' ' ILE . 7.4 p -86.7 -37.05 10.97 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.838 0 C-N-CA 120.21 -0.596 . . . . 1.43 111.692 178.65 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.507 HG12 ' HA ' ' A' ' 44' ' ' VAL . 13.8 p -64.8 -39.9 87.22 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.705 0 C-N-CA 120.16 -0.616 . . . . 0.53 111.626 -178.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 12.4 p -69.84 -22.89 25.14 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.936 0 CA-C-O 121.676 0.751 . . . . 0.65 110.599 179.489 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -86.22 -29.16 23.38 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 121.712 0.768 . . . . 0.32 109.752 178.751 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.61 -32.92 73.14 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 115.427 -0.806 . . . . 0.36 111.287 -178.3 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -53.6 -59.34 4.72 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.578 0.704 . . . . 0.78 109.766 178.22 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -69.8 -36.0 75.32 Favored 'General case' 0 C--N 1.296 -1.732 0 CA-C-N 115.33 -0.85 . . . . 0.96 113.084 -177.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -67.6 -38.51 84.09 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.005 0.431 . . . . 3.85 110.211 -176.355 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.433 ' HZ ' ' C ' ' A' ' 10' ' ' GLY . 61.8 m-85 -103.88 14.71 30.27 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 112.86 0.689 . . . . 0.4 112.86 -174.702 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 58.82 49.55 9.79 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 124.143 0.902 . . . . 1.95 110.422 178.06 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.744 HG22 ' H ' ' A' ' 57' ' ' LYS . 7.5 p -141.25 -169.76 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.295 -1.796 0 N-CA-C 109.458 -0.571 . . . . 1.37 109.458 -177.428 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.744 ' H ' HG22 ' A' ' 56' ' ' VAL . 5.4 tmtm? -146.28 133.3 20.29 Favored 'General case' 0 C--N 1.294 -1.842 0 N-CA-C 103.963 -2.606 . . . . 3.34 103.963 176.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.499 ' N ' ' HD3' ' A' ' 57' ' ' LYS . 43.5 mt -130.52 98.07 20.82 Favored Pre-proline 0 C--N 1.303 -1.424 0 N-CA-C 108.655 -0.868 . . . . 0.57 108.655 -177.808 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.437 ' O ' HG23 ' A' ' 63' ' ' VAL . 17.8 Cg_endo -61.16 131.15 35.26 Favored 'Trans proline' 0 N--CA 1.457 -0.675 0 C-N-CA 122.875 2.384 . . . . 0.63 111.024 179.029 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -52.82 -32.61 45.14 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.866 0.867 . . . . 2.3 112.666 -177.255 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -65.96 -34.2 77.57 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-O 120.876 0.37 . . . . 2.38 111.252 178.371 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -86.53 -23.01 26.03 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.644 -0.502 . . . . 1.52 109.644 -175.7 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 59' ' ' PRO . 81.2 t -54.98 -58.53 3.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 CA-C-N 115.168 -0.924 . . . . 0.79 109.595 175.522 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 57.0 mttp -61.32 -16.18 43.28 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 116.049 -0.523 . . . . 1.24 112.111 -178.009 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -85.0 -23.09 28.82 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-O 120.671 0.272 . . . . 2.07 110.844 -176.76 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.655 HD13 ' HA ' ' A' ' 72' ' ' ALA . 77.3 mt -91.16 -176.05 4.47 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.799 -0.445 . . . . 0.6 109.799 -179.456 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.506 ' HE3' ' HB2' ' A' ' 67' ' ' LYS . 17.7 ptmt -148.27 -67.38 0.24 Allowed 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 115.584 1.698 . . . . 2.69 115.584 178.865 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.487 HG22 ' HB3' ' A' ' 31' ' ' SER . 65.0 p -87.03 176.5 7.6 Favored 'General case' 0 N--CA 1.44 -0.94 0 N-CA-C 109.682 -0.488 . . . . 0.46 109.682 -176.629 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 22.3 m -79.08 -19.14 12.92 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.275 0 C-N-CA 120.393 -0.523 . . . . 0.66 109.814 177.739 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -80.1 -30.38 42.48 Favored Glycine 0 N--CA 1.444 -0.795 0 N-CA-C 110.066 -1.214 . . . . 0.46 110.066 174.847 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -76.52 -31.54 57.71 Favored 'General case' 0 C--N 1.311 -1.078 0 N-CA-C 108.35 -0.981 . . . . 1.62 108.35 176.017 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.655 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -73.92 -48.02 33.65 Favored 'General case' 0 CA--C 1.505 -0.758 0 CA-C-N 114.816 -1.084 . . . . 0.51 111.636 -178.891 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.403 HG22 ' CG2' ' A' ' 7' ' ' ILE . 13.2 p -61.17 -23.15 65.36 Favored 'General case' 0 N--CA 1.436 -1.151 0 N-CA-C 113.042 0.756 . . . . 0.46 113.042 -177.669 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -70.1 -26.98 64.24 Favored 'General case' 0 C--N 1.319 -0.732 0 O-C-N 123.351 0.407 . . . . 3.54 110.133 -179.422 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.407 ' HE2' ' HA ' ' A' ' 58' ' ' ILE . 79.8 t80 -84.58 -47.34 10.65 Favored 'General case' 0 C--O 1.246 0.917 0 CA-C-O 121.671 0.748 . . . . 0.83 109.548 176.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.654 HG23 HG11 ' A' ' 56' ' ' VAL . 79.7 mt -57.15 -55.51 20.14 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.008 0 CA-C-N 114.703 -1.135 . . . . 0.65 110.316 -179.534 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 67.7 tp -65.9 -24.01 66.75 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 123.299 0.64 . . . . 1.74 111.55 -179.352 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 28.5 t70 . . . . . 0 C--N 1.321 -0.672 0 C-N-CA 120.742 -0.383 . . . . 1.32 111.523 179.843 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.499 -0.992 0 N-CA-C 110.241 -0.281 . . . . 1.12 110.241 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.629 ' O ' HG12 ' A' ' 7' ' ' ILE . 8.9 t -80.05 171.0 15.67 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 120.55 -0.46 . . . . 1.57 111.214 179.172 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.48 ' HG2' HD11 ' A' ' 28' ' ' LEU . 31.5 tt0 -57.52 -28.43 63.47 Favored 'General case' 0 N--CA 1.434 -1.269 0 C-N-CA 124.118 0.967 . . . . 1.76 109.844 179.335 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -71.95 -49.03 40.98 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 109.109 -0.7 . . . . 3.05 109.109 179.409 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -65.46 -35.89 82.25 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 114.909 -1.041 . . . . 2.53 109.859 179.569 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.629 HG12 ' O ' ' A' ' 3' ' ' THR . 37.2 mm -59.12 -56.76 14.87 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.323 0 O-C-N 123.794 0.684 . . . . 0.45 109.583 179.401 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.47 ' HA ' HD12 ' A' ' 11' ' ' LEU . 88.3 t -56.04 -47.9 79.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 CA-C-N 115.995 -0.548 . . . . 0.57 110.465 179.594 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.404 ' O ' ' HG3' ' A' ' 13' ' ' GLU . . . -56.27 -38.59 71.38 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 115.925 -0.579 . . . . 0.48 111.345 178.698 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -69.61 -39.59 78.23 Favored Glycine 0 C--O 1.227 -0.343 0 N-CA-C 111.089 -0.805 . . . . 0.37 111.089 179.581 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.47 HD12 ' HA ' ' A' ' 8' ' ' VAL . 96.6 mt -58.25 -46.22 86.37 Favored 'General case' 0 C--O 1.24 0.58 0 CA-C-O 121.407 0.623 . . . . 0.33 109.973 178.34 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.5 -23.66 67.49 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 114.988 -1.005 . . . . 0.28 112.648 -178.139 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.404 ' HG3' ' O ' ' A' ' 9' ' ' ALA . 43.5 mt-10 -64.28 -47.3 80.05 Favored 'General case' 0 CA--C 1.509 -0.624 0 N-CA-C 109.72 -0.474 . . . . 2.48 109.72 178.856 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.776 ' HB ' HG23 ' A' ' 46' ' ' VAL . 3.6 mp -79.42 -30.88 13.97 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.631 0 C-N-CA 119.53 -0.868 . . . . 0.44 109.572 179.396 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 59.0 t -65.58 -23.38 32.57 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.276 0 O-C-N 121.197 -0.94 . . . . 0.34 110.564 176.295 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -68.71 -39.98 80.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 122.012 -0.43 . . . . 0.95 109.995 176.062 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -80.99 -28.76 35.41 Favored 'General case' 0 C--N 1.318 -0.798 0 C-N-CA 120.545 -0.462 . . . . 2.11 111.062 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.613 HG13 ' HB ' ' A' ' 46' ' ' VAL . 46.5 mm -76.3 -53.8 14.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.889 0.376 . . . . 0.71 110.251 178.67 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -110.36 -56.8 2.29 Favored 'General case' 0 C--N 1.305 -1.333 0 CA-C-N 116.179 -0.464 . . . . 0.68 111.092 -175.148 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 113.81 80.33 0.95 Allowed Glycine 0 C--N 1.3 -1.444 0 C-N-CA 119.917 -1.135 . . . . 0.93 111.715 -177.42 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.427 ' O ' HD12 ' A' ' 21' ' ' ILE . 1.9 pp -139.34 150.22 63.35 Favored Pre-proline 0 C--N 1.3 -1.566 0 C-N-CA 123.442 0.697 . . . . 0.6 109.274 178.297 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -64.77 141.42 71.93 Favored 'Trans proline' 0 N--CA 1.45 -1.069 0 C-N-CA 121.731 1.621 . . . . 0.75 109.507 176.088 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 35.6 m -72.32 6.86 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.348 0 N-CA-C 113.558 0.947 . . . . 1.48 113.558 -177.246 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -112.97 -10.33 13.52 Favored 'General case' 0 N--CA 1.437 -1.115 0 CA-C-N 115.668 -0.696 . . . . 2.03 109.493 176.282 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -76.31 -34.01 59.05 Favored 'General case' 0 C--O 1.243 0.757 0 CA-C-O 121.851 0.834 . . . . 1.07 109.619 -177.518 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.476 HG22 HD21 ' A' ' 36' ' ' LEU . 24.5 t -79.42 92.3 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.447 0 CA-C-N 114.285 -1.325 . . . . 0.73 108.327 -179.652 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.541 ' H ' ' HG3' ' A' ' 30' ' ' LYS . 63.2 mttp -99.87 -177.93 3.7 Favored 'General case' 0 C--N 1.296 -1.721 0 N-CA-C 108.114 -1.069 . . . . 2.83 108.114 175.56 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.48 HD11 ' HG2' ' A' ' 4' ' ' GLN . 4.1 mm? -60.26 -42.03 94.47 Favored 'General case' 0 C--O 1.245 0.856 0 N-CA-C 115.35 1.611 . . . . 1.07 115.35 -171.867 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -99.6 64.18 1.28 Allowed 'General case' 0 C--N 1.299 -1.587 0 C-N-CA 118.175 -1.41 . . . . 2.47 110.71 -178.284 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.541 ' HG3' ' H ' ' A' ' 27' ' ' LYS . 27.4 mmmt -132.41 123.36 26.56 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 113.843 -1.526 . . . . 1.06 107.502 177.166 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.697 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 50.5 p -95.86 156.55 16.28 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 109.047 -0.723 . . . . 1.31 109.047 177.345 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.694 ' HA ' HD12 ' A' ' 36' ' ' LEU . 95.1 m-85 -75.2 28.47 0.09 Allowed 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 124.326 1.05 . . . . 1.03 113.076 -173.856 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.423 ' HB ' ' HB3' ' A' ' 40' ' ' SER . 6.0 t -165.94 -56.96 0.03 OUTLIER 'General case' 0 N--CA 1.44 -0.974 0 N-CA-C 112.028 0.381 . . . . 1.37 112.028 -178.418 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -75.19 -41.45 57.88 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-O 121.136 0.493 . . . . 2.31 111.218 -175.509 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.495 ' HB3' ' HD2' ' A' ' 30' ' ' LYS . 9.4 m-20 -90.9 -47.89 7.33 Favored 'General case' 0 C--N 1.308 -1.213 0 CA-C-N 116.171 -0.468 . . . . 1.67 110.245 179.139 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.694 HD12 ' HA ' ' A' ' 32' ' ' PHE . 37.5 mt -72.33 156.35 39.19 Favored 'General case' 0 N--CA 1.436 -1.15 0 CA-C-N 115.86 -0.609 . . . . 0.69 112.05 -177.324 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -91.62 66.68 5.36 Favored 'General case' 0 CA--C 1.487 -1.466 0 N-CA-C 106.786 -1.561 . . . . 2.15 106.786 178.542 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.469 HG23 ' HB3' ' A' ' 36' ' ' LEU . 48.8 t -136.91 131.81 46.96 Favored 'Isoleucine or valine' 0 C--N 1.276 -2.6 0 CA-C-N 113.069 -1.878 . . . . 2.23 106.733 -179.022 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -41.52 -71.63 0.08 Allowed 'General case' 0 N--CA 1.477 0.878 0 O-C-N 124.646 1.216 . . . . 2.96 108.592 170.063 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.423 ' HB3' ' HB ' ' A' ' 33' ' ' THR . 88.6 p 151.39 -48.76 0.01 OUTLIER 'General case' 0 CA--C 1.475 -1.915 0 C-N-CA 127.163 2.185 . . . . 1.19 109.389 167.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.406 HD12 ' OG ' ' A' ' 40' ' ' SER . 6.7 mp -63.14 -21.43 66.19 Favored 'General case' 0 C--O 1.212 -0.88 0 CA-C-O 121.569 0.7 . . . . 1.34 110.015 -176.552 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.7 m -68.76 -19.34 64.32 Favored 'General case' 0 CA--C 1.558 1.278 0 C-N-CA 124.238 1.015 . . . . 1.26 111.53 176.585 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.543 ' HA ' HG12 ' A' ' 46' ' ' VAL . 9.6 tmm? -66.14 -24.76 66.72 Favored 'General case' 0 C--O 1.216 -0.679 0 CA-C-O 121.109 0.48 . . . . 0.97 110.183 -178.452 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.423 ' HA ' HG12 ' A' ' 47' ' ' VAL . 47.0 t -56.75 -33.64 41.26 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.198 0 CA-C-O 121.078 0.466 . . . . 0.65 110.674 179.319 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -73.54 -28.41 61.86 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 116.3 -0.409 . . . . 2.06 112.055 177.093 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.776 HG23 ' HB ' ' A' ' 14' ' ' ILE . 11.4 p -83.14 -36.67 13.06 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.549 0 C-N-CA 119.97 -0.692 . . . . 1.43 111.264 178.757 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.423 HG12 ' HA ' ' A' ' 44' ' ' VAL . 13.5 p -63.21 -41.29 92.24 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.738 0 C-N-CA 120.651 -0.419 . . . . 0.53 111.788 -179.422 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 13.2 p -71.56 -21.97 21.71 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.904 0 CA-C-O 121.771 0.796 . . . . 0.65 110.66 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.437 ' O ' ' HG2' ' A' ' 53' ' ' ARG . . . -86.16 -29.52 23.18 Favored 'General case' 0 N--CA 1.442 -0.841 0 CA-C-O 121.433 0.635 . . . . 0.32 109.814 178.456 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.63 -25.03 63.74 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 116.163 -0.471 . . . . 0.36 111.217 -178.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.506 ' HA ' HG23 ' A' ' 56' ' ' VAL . 43.9 mt-10 -57.38 -46.92 82.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.511 -0.313 . . . . 0.78 110.736 179.415 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -74.13 -36.32 64.16 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.136 0.493 . . . . 0.96 110.173 178.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.565 ' HG3' HD11 ' A' ' 14' ' ' ILE . 30.0 mmm180 -71.18 -24.8 62.3 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.943 0.72 . . . . 3.85 112.943 -173.572 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -116.43 10.1 14.54 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 112.458 0.54 . . . . 0.4 112.458 -179.082 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 60.22 41.94 15.97 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 123.7 0.625 . . . . 1.95 110.361 179.278 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.506 HG23 ' HA ' ' A' ' 51' ' ' GLU . 31.3 m -127.07 -171.25 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.023 0 CA-C-N 116.002 -0.545 . . . . 1.37 111.003 -177.66 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.459 ' HA ' ' HD2' ' A' ' 57' ' ' LYS . 42.7 tptt -155.79 125.34 6.34 Favored 'General case' 0 N--CA 1.428 -1.567 0 N-CA-C 104.24 -2.504 . . . . 3.34 104.24 173.606 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 60.1 mt -121.17 116.01 31.29 Favored Pre-proline 0 C--N 1.308 -1.203 0 C-N-CA 120.889 -0.324 . . . . 0.57 110.99 -171.394 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.426 ' O ' HG23 ' A' ' 63' ' ' VAL . 26.3 Cg_exo -63.96 135.31 47.19 Favored 'Trans proline' 0 C--O 1.24 0.592 0 C-N-CA 123.245 2.63 . . . . 0.63 111.226 179.202 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -58.57 -33.15 69.61 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 112.884 0.698 . . . . 2.3 112.884 -175.683 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -65.95 -30.56 71.15 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 116.349 -0.387 . . . . 2.38 110.061 179.648 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.425 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 5.6 t70 -85.05 -30.72 23.88 Favored 'General case' 0 N--CA 1.438 -1.029 0 N-CA-C 109.337 -0.616 . . . . 1.52 109.337 -175.318 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 59' ' ' PRO . 88.3 t -52.93 -60.79 1.01 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.363 0 CA-C-N 114.885 -1.052 . . . . 0.79 109.302 175.263 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -66.71 -7.79 23.39 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 112.809 0.67 . . . . 1.24 112.809 -178.558 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -87.9 -25.7 23.11 Favored 'General case' 0 C--N 1.305 -1.327 0 CA-C-O 120.907 0.384 . . . . 2.07 111.154 -179.497 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.614 HD13 ' HA ' ' A' ' 72' ' ' ALA . 79.7 mt -82.96 176.39 9.31 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 116.158 -0.474 . . . . 0.6 110.699 -176.376 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -135.4 -71.21 0.48 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.196 0.522 . . . . 2.69 111.992 -176.762 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.697 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 67.4 p -96.62 179.1 5.11 Favored 'General case' 0 N--CA 1.429 -1.48 0 CA-C-N 116.355 -0.384 . . . . 0.46 110.702 -177.29 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.506 HG12 ' CZ ' ' A' ' 32' ' ' PHE . 32.1 m -74.75 -17.81 16.45 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.108 0 N-CA-C 109.571 -0.529 . . . . 0.66 109.571 175.41 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -69.85 -32.69 70.23 Favored Glycine 0 N--CA 1.436 -1.306 0 N-CA-C 110.064 -1.214 . . . . 0.46 110.064 174.652 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -77.89 -37.55 47.76 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.98 -0.748 . . . . 1.62 108.98 177.799 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.614 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -65.92 -45.97 79.98 Favored 'General case' 0 CA--C 1.507 -0.701 0 CA-C-N 114.855 -1.066 . . . . 0.51 111.336 -176.603 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.659 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 17.3 p -59.0 -39.6 82.34 Favored 'General case' 0 N--CA 1.432 -1.339 0 CA-C-N 115.548 -0.751 . . . . 0.46 112.411 -178.194 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 60.5 tttm -60.65 -33.97 73.59 Favored 'General case' 0 CA--C 1.533 0.298 0 O-C-N 123.622 0.576 . . . . 3.54 110.577 -178.767 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -77.23 -48.5 17.37 Favored 'General case' 0 C--O 1.241 0.62 0 CA-C-O 121.355 0.598 . . . . 0.83 109.893 176.347 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.408 HG13 ' O ' ' A' ' 72' ' ' ALA . 83.1 mt -57.97 -56.84 13.39 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.95 0 CA-C-N 115.703 -0.68 . . . . 0.65 111.891 -175.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.659 ' HG ' ' O ' ' A' ' 73' ' ' THR . 2.9 pp -62.68 -21.28 65.62 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.666 0.617 . . . . 1.74 112.666 -178.714 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 28.1 t70 . . . . . 0 C--N 1.307 -1.26 0 CA-C-N 115.608 -0.724 . . . . 1.32 110.371 178.336 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' ALA . . . . . 0.535 ' HB1' ' HB2' ' A' ' 6' ' ' GLU . . . . . . . . 0 N--CA 1.435 -1.199 0 N-CA-C 109.345 -0.613 . . . . 1.12 109.345 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.625 HG22 ' H ' ' A' ' 4' ' ' GLN . 4.7 m -97.37 175.83 6.11 Favored 'General case' 0 C--N 1.307 -1.273 0 CA-C-O 119.009 -0.52 . . . . 1.57 110.014 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.625 ' H ' HG22 ' A' ' 3' ' ' THR . 61.1 tt0 -39.76 -57.64 1.5 Allowed 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 116.003 1.853 . . . . 1.76 116.003 -172.039 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -74.09 -34.25 63.91 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 119.002 -1.079 . . . . 3.05 111.699 -175.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.535 ' HB2' ' HB1' ' A' ' 2' ' ' ALA . 56.4 mm-40 -65.9 -33.75 76.54 Favored 'General case' 0 N--CA 1.457 -0.12 0 N-CA-C 109.112 -0.699 . . . . 2.53 109.112 176.25 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.564 HG12 ' O ' ' A' ' 3' ' ' THR . 32.1 mm -62.46 -54.64 31.36 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.665 0 CA-C-N 115.435 -0.802 . . . . 0.45 109.546 175.509 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 4' ' ' GLN . 42.6 t -55.33 -48.56 76.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 N-CA-C 110.087 -0.338 . . . . 0.57 110.087 179.669 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.425 ' O ' ' HG3' ' A' ' 13' ' ' GLU . . . -60.48 -36.25 77.86 Favored 'General case' 0 C--O 1.22 -0.484 0 CA-C-N 115.912 -0.585 . . . . 0.48 110.828 178.733 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.483 ' HA2' ' OE2' ' A' ' 13' ' ' GLU . . . -66.88 -38.56 93.0 Favored Glycine 0 CA--C 1.505 -0.571 0 N-CA-C 111.216 -0.754 . . . . 0.37 111.216 179.11 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.459 HD12 ' HA ' ' A' ' 8' ' ' VAL . 89.8 mt -60.33 -46.96 88.05 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 108.599 -0.889 . . . . 0.33 108.599 176.052 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.428 ' HB2' ' HB ' ' A' ' 26' ' ' VAL . . . -65.83 -24.96 67.01 Favored 'General case' 0 N--CA 1.439 -1.023 0 CA-C-N 114.966 -1.016 . . . . 0.28 112.156 -179.532 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.483 ' OE2' ' HA2' ' A' ' 10' ' ' GLY . 49.4 mt-10 -57.86 -47.23 83.31 Favored 'General case' 0 CA--C 1.508 -0.641 0 CA-C-O 121.12 0.486 . . . . 2.48 109.764 177.898 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.888 ' HB ' HG23 ' A' ' 46' ' ' VAL . 3.6 mp -84.72 -36.36 11.37 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.575 0 C-N-CA 119.47 -0.892 . . . . 0.44 110.184 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.524 HG22 HG11 ' A' ' 46' ' ' VAL . 61.0 t -61.43 -23.26 29.99 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.408 0 CA-C-O 122.127 0.965 . . . . 0.34 110.786 178.431 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -66.29 -41.12 90.24 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.716 -0.674 . . . . 0.95 111.652 175.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -82.85 -31.6 27.94 Favored 'General case' 0 C--N 1.309 -1.154 0 C-N-CA 119.947 -0.701 . . . . 2.11 110.836 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.52 HG12 ' O ' ' A' ' 14' ' ' ILE . 50.0 mm -71.34 -53.67 20.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.034 -0.53 . . . . 0.71 110.029 179.134 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -102.91 -60.87 1.48 Allowed 'General case' 0 C--N 1.306 -1.285 0 CA-C-N 115.817 -0.628 . . . . 0.68 110.925 -176.6 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 132.59 8.4 2.51 Favored Glycine 0 C--N 1.312 -0.771 0 C-N-CA 119.334 -1.412 . . . . 0.93 113.875 -178.732 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.415 ' HA ' ' HD3' ' A' ' 22' ' ' PRO . 2.3 pp -74.28 148.82 86.49 Favored Pre-proline 0 C--N 1.318 -0.776 0 N-CA-C 112.555 0.576 . . . . 0.6 112.555 179.572 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 21' ' ' ILE . 33.7 Cg_exo -63.28 139.62 72.76 Favored 'Trans proline' 0 C--O 1.247 0.936 0 C-N-CA 122.479 2.12 . . . . 0.75 111.013 176.195 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 26.9 m -72.78 18.09 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 N-CA-C 113.35 0.87 . . . . 1.48 113.35 -178.295 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -137.24 2.59 2.54 Favored 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 108.803 -0.814 . . . . 2.03 108.803 178.311 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.434 ' O ' ' HE2' ' A' ' 30' ' ' LYS . 33.6 t70 -89.79 -35.99 15.39 Favored 'General case' 0 CA--C 1.502 -0.89 0 CA-C-O 122.115 0.959 . . . . 1.07 108.828 -178.131 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.492 ' HA ' ' HG3' ' A' ' 30' ' ' LYS . 60.3 t -78.99 98.7 2.88 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.489 0 CA-C-N 114.345 -1.298 . . . . 0.73 108.232 177.257 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -111.98 -167.08 1.14 Allowed 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 107.714 -1.217 . . . . 2.83 107.714 174.711 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.408 HD13 ' HA ' ' A' ' 28' ' ' LEU 0.275 4.2 mm? -59.67 -33.12 71.14 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 117.012 2.227 . . . . 1.07 117.012 -172.514 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -91.8 69.71 5.59 Favored 'General case' 0 C--N 1.302 -1.458 0 CA-C-O 121.991 0.9 . . . . 2.47 111.291 178.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.54 ' HD2' HD21 ' A' ' 36' ' ' LEU . 34.7 mmtm -140.84 136.95 32.9 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-N 114.288 -1.324 . . . . 1.06 110.99 179.538 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.584 ' H ' ' HB3' ' A' ' 35' ' ' ASP . 52.0 p -118.26 157.19 27.49 Favored 'General case' 0 C--N 1.306 -1.307 0 N-CA-C 107.434 -1.321 . . . . 1.31 107.434 171.843 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.575 ' CZ ' HG12 ' A' ' 69' ' ' VAL . 83.8 m-85 -85.5 30.94 0.6 Allowed 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 113.545 0.943 . . . . 1.03 113.545 -169.495 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.565 ' HA ' ' O ' ' A' ' 38' ' ' VAL . 4.4 t -175.65 -54.68 0.01 OUTLIER 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 116.506 -0.315 . . . . 1.37 111.289 177.52 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -69.54 -47.18 64.59 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 112.148 0.425 . . . . 2.31 112.148 -175.119 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.584 ' HB3' ' H ' ' A' ' 31' ' ' SER . 17.8 t70 -83.34 -40.77 19.02 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.21 0.529 . . . . 1.67 110.314 179.47 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.54 HD21 ' HD2' ' A' ' 30' ' ' LYS . 67.8 mt -82.69 -171.63 3.61 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-N 115.936 -0.575 . . . . 0.69 111.775 -178.641 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -117.45 1.91 12.38 Favored 'General case' 0 C--N 1.31 -1.152 0 CA-C-O 121.957 0.884 . . . . 2.15 109.154 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.565 ' O ' ' HA ' ' A' ' 33' ' ' THR . 7.6 p -89.28 126.25 42.26 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.574 0 N-CA-C 106.794 -1.558 . . . . 2.23 106.794 175.756 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -74.34 164.09 27.01 Favored 'General case' 0 C--N 1.301 -1.507 0 C-N-CA 120.519 -0.473 . . . . 2.96 111.761 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.454 ' O ' HG23 ' A' ' 44' ' ' VAL . 33.8 p -66.88 -43.67 82.9 Favored 'General case' 0 C--N 1.298 -1.647 0 CA-C-N 115.685 -0.689 . . . . 1.19 110.226 -179.706 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.8 mp -61.83 -23.85 66.52 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-O 121.816 0.817 . . . . 1.34 109.638 177.598 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 46.8 t -84.12 -37.95 21.33 Favored 'General case' 0 N--CA 1.429 -1.512 0 CA-C-N 115.056 -0.975 . . . . 1.26 109.733 178.74 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.438 ' O ' ' HG2' ' A' ' 43' ' ' MET . 35.5 ttp -59.74 -23.24 63.04 Favored 'General case' 0 C--N 1.359 1.011 0 CA-C-O 121.28 0.562 . . . . 0.97 110.457 177.691 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.49 ' HA ' HG12 ' A' ' 47' ' ' VAL . 57.7 t -56.47 -24.06 18.02 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.349 0 C-N-CA 123.101 0.56 . . . . 0.65 111.473 178.477 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 -78.94 -38.07 38.14 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.999 0.428 . . . . 2.06 111.039 177.173 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.888 HG23 ' HB ' ' A' ' 14' ' ' ILE . 3.6 p -84.47 -32.99 8.27 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.792 0 N-CA-C 113.006 0.743 . . . . 1.43 113.006 -178.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.49 HG12 ' HA ' ' A' ' 44' ' ' VAL . 13.9 p -61.41 -40.25 85.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 O-C-N 122.212 -0.305 . . . . 0.53 111.714 -177.865 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 14.9 p -70.12 -31.77 48.66 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.765 0 CA-C-O 121.473 0.654 . . . . 0.65 110.121 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.69 -17.95 46.15 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.548 -0.751 . . . . 0.32 110.277 -179.342 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.63 -29.97 63.92 Favored 'General case' 0 C--N 1.31 -1.139 0 CA-C-N 116.197 -0.456 . . . . 0.36 110.046 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.511 ' HA ' HG23 ' A' ' 56' ' ' VAL . 42.2 mt-10 -58.57 -49.89 75.79 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 115.93 -0.577 . . . . 0.78 111.023 179.671 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -68.96 -42.96 75.93 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.137 -0.483 . . . . 0.96 111.25 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.74 ' HG3' HD11 ' A' ' 14' ' ' ILE . 27.3 mmt180 -62.58 -39.9 95.17 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 112.852 0.686 . . . . 3.85 112.852 -177.828 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -101.95 -4.69 25.71 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 113.752 1.019 . . . . 0.4 113.752 -175.077 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 70.64 46.15 0.55 Allowed 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 123.322 0.649 . . . . 1.95 109.779 -178.735 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.511 HG23 ' HA ' ' A' ' 51' ' ' GLU . 17.3 m -126.06 -174.26 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.507 0.67 . . . . 1.37 112.338 -178.344 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -139.51 123.13 17.38 Favored 'General case' 0 N--CA 1.43 -1.426 0 N-CA-C 105.984 -1.858 . . . . 3.34 105.984 174.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 38.4 mt -129.67 100.36 19.64 Favored Pre-proline 0 C--N 1.304 -1.401 0 N-CA-C 108.82 -0.808 . . . . 0.57 108.82 -177.598 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.548 ' O ' HG23 ' A' ' 63' ' ' VAL . 16.9 Cg_exo -70.84 149.51 60.09 Favored 'Trans proline' 0 C--O 1.235 0.363 0 C-N-CA 123.316 2.677 . . . . 0.63 111.989 178.624 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -53.18 -41.53 65.32 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 124.719 1.207 . . . . 2.3 112.075 -176.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -73.58 -34.26 65.02 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 120.707 0.289 . . . . 2.38 110.958 -178.642 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -71.88 -32.97 67.98 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.848 -0.615 . . . . 1.52 109.461 -175.084 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 59' ' ' PRO . 86.8 t -51.75 -47.15 39.6 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 CA-C-N 115.427 -0.806 . . . . 0.79 110.115 176.039 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -67.78 -5.04 14.35 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 115.443 -0.798 . . . . 1.24 112.422 -176.518 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -94.59 -10.14 32.94 Favored 'General case' 0 C--N 1.317 -0.834 0 O-C-N 121.975 -0.453 . . . . 2.07 110.546 -177.147 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.552 HD13 ' HA ' ' A' ' 72' ' ' ALA . 83.8 mt -101.97 -177.55 3.45 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 108.743 -0.836 . . . . 0.6 108.743 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.4 ' HG2' ' OD1' ' A' ' 71' ' ' ASP . 7.9 ptpp? -146.58 -52.75 0.23 Allowed 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 119.558 -0.857 . . . . 2.69 112.943 -178.067 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 71.6 p -112.74 -176.41 2.9 Favored 'General case' 0 C--O 1.247 0.946 0 O-C-N 121.662 -0.649 . . . . 0.46 109.871 179.285 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.575 HG12 ' CZ ' ' A' ' 32' ' ' PHE . 33.5 m -76.01 -14.03 15.01 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.09 0 N-CA-C 109.392 -0.595 . . . . 0.66 109.392 174.595 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.417 ' O ' ' HG2' ' A' ' 74' ' ' LYS . . . -72.08 -33.13 62.52 Favored Glycine 0 N--CA 1.437 -1.266 0 N-CA-C 110.23 -1.148 . . . . 0.46 110.23 176.85 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.4 ' OD1' ' HG2' ' A' ' 67' ' ' LYS . 5.0 m-20 -80.21 -40.18 27.65 Favored 'General case' 0 CA--C 1.503 -0.838 0 N-CA-C 108.623 -0.88 . . . . 1.62 108.623 178.236 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.552 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -61.36 -46.84 88.52 Favored 'General case' 0 CA--C 1.501 -0.932 0 CA-C-N 114.557 -1.202 . . . . 0.51 110.615 -176.017 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.582 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 6.5 p -55.04 -45.95 75.27 Favored 'General case' 0 N--CA 1.44 -0.959 0 O-C-N 123.903 0.752 . . . . 0.46 112.061 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.417 ' HG2' ' O ' ' A' ' 70' ' ' GLY . 42.0 mmtm -59.26 -47.96 83.4 Favored 'General case' 0 C--O 1.219 -0.534 0 O-C-N 123.905 0.753 . . . . 3.54 110.417 -179.791 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -65.76 -42.46 90.86 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 123.629 0.581 . . . . 0.83 111.877 -178.093 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.407 HG21 HD12 ' A' ' 7' ' ' ILE . 89.2 mt -62.18 -65.01 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.309 -1.18 0 CA-C-O 119.021 -0.514 . . . . 0.65 111.172 -177.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.582 ' HG ' ' O ' ' A' ' 73' ' ' THR 0.271 1.8 pp -57.27 -21.11 32.2 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 113.194 0.813 . . . . 1.74 113.194 177.677 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.5 t70 . . . . . 0 N--CA 1.473 0.687 0 CA-C-N 115.86 -0.609 . . . . 1.32 110.622 174.395 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.736 0 N-CA-C 108.425 -0.954 . . . . 1.12 108.425 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.547 ' O ' HG12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -93.83 -167.26 1.65 Allowed 'General case' 0 C--N 1.299 -1.617 0 C-N-CA 118.852 -1.139 . . . . 1.57 110.952 -177.682 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.436 ' H ' HG22 ' A' ' 3' ' ' THR . 9.8 tt0 -53.66 -49.87 67.03 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 113.709 1.003 . . . . 1.76 113.709 -169.04 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -61.37 -39.88 92.26 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 123.162 0.289 . . . . 3.05 111.231 -179.679 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -73.06 -32.27 64.93 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.831 -0.622 . . . . 2.53 110.083 -177.72 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.547 HG12 ' O ' ' A' ' 3' ' ' THR . 38.1 mm -61.77 -59.1 4.84 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.838 0 N-CA-C 108.293 -1.002 . . . . 0.45 108.293 175.413 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 91.5 t -53.79 -52.89 30.69 Favored 'Isoleucine or valine' 0 C--O 1.242 0.688 0 C-N-CA 123.604 0.762 . . . . 0.57 110.84 179.32 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.49 -39.84 77.31 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 116.097 -0.501 . . . . 0.48 111.143 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.85 -41.54 88.13 Favored Glycine 0 N--CA 1.437 -1.255 0 N-CA-C 110.944 -0.863 . . . . 0.37 110.944 -179.656 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.516 ' O ' HG23 ' A' ' 15' ' ' VAL . 96.5 mt -56.8 -48.69 77.36 Favored 'General case' 0 CA--C 1.503 -0.858 0 C-N-CA 123.088 0.555 . . . . 0.33 109.584 177.838 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.33 -27.81 62.55 Favored 'General case' 0 C--O 1.207 -1.141 0 CA-C-N 115.125 -0.943 . . . . 0.28 112.708 -178.088 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -68.0 -38.76 83.01 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 120.99 -0.284 . . . . 2.48 111.542 178.854 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.543 ' HB ' HG23 ' A' ' 46' ' ' VAL . 3.9 mp -82.55 -27.32 8.61 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.99 0 C-N-CA 119.561 -0.856 . . . . 0.44 109.004 176.309 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 11' ' ' LEU . 47.8 t -69.16 -26.84 32.92 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.014 0 CA-C-O 121.648 0.737 . . . . 0.34 109.334 175.726 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -72.91 -31.67 64.81 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 123.409 0.684 . . . . 0.95 109.696 173.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.4 ' HB3' ' O ' ' A' ' 14' ' ' ILE . 9.7 tp10 -68.49 -38.63 81.16 Favored 'General case' 0 C--N 1.308 -1.205 0 N-CA-C 108.719 -0.845 . . . . 2.11 108.719 178.102 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.437 HG12 ' O ' ' A' ' 14' ' ' ILE . 49.1 mm -83.66 -52.4 12.98 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.923 0 CA-C-N 114.897 -1.047 . . . . 0.71 112.407 -177.362 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.539 ' HB1' ' HB3' ' A' ' 37' ' ' ASP . . . -116.5 -1.98 12.11 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 114.138 1.162 . . . . 0.68 114.138 -172.718 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.02 27.68 73.61 Favored Glycine 0 C--N 1.31 -0.893 0 N-CA-C 115.048 0.779 . . . . 0.93 115.048 177.718 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.495 HD11 ' HB ' ' A' ' 15' ' ' VAL . 2.3 pp -80.16 151.53 72.87 Favored Pre-proline 0 C--N 1.32 -0.708 0 CA-C-N 117.758 0.779 . . . . 0.6 111.758 178.622 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.429 ' HG2' ' HB2' ' A' ' 25' ' ' ASP . 36.9 Cg_endo -71.11 144.71 47.6 Favored 'Trans proline' 0 N--CA 1.443 -1.483 0 C-N-CA 121.738 1.626 . . . . 0.75 110.232 173.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.1 m -79.98 8.06 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.313 -0.982 0 CA-C-O 121.587 0.708 . . . . 1.48 112.651 -175.415 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -100.76 -17.22 17.03 Favored 'General case' 0 C--N 1.308 -1.231 0 N-CA-C 108.43 -0.952 . . . . 2.03 108.43 178.153 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.672 ' O ' ' HE3' ' A' ' 30' ' ' LYS . 19.9 t70 -77.06 -44.16 31.71 Favored 'General case' 0 CA--C 1.505 -0.775 0 CA-C-N 115.586 -0.734 . . . . 1.07 109.666 -176.565 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.594 ' HA ' ' HG3' ' A' ' 30' ' ' LYS . 40.6 t -70.48 94.9 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.151 0 CA-C-N 114.82 -1.082 . . . . 0.73 111.336 -177.29 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -107.03 -164.12 0.96 Allowed 'General case' 0 C--N 1.3 -1.577 0 CA-C-N 113.875 -1.511 . . . . 2.83 107.175 171.634 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 77.8 mt -74.92 -31.15 61.46 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 112.525 0.565 . . . . 1.07 112.525 -174.472 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -88.47 61.25 6.04 Favored 'General case' 0 C--N 1.306 -1.309 0 CA-C-O 121.984 0.897 . . . . 2.47 110.395 178.371 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.672 ' HE3' ' O ' ' A' ' 25' ' ' ASP . 65.5 mmtt -137.6 156.55 47.94 Favored 'General case' 0 C--N 1.298 -1.652 0 CA-C-N 114.544 -1.207 . . . . 1.06 107.957 178.63 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.472 ' HB3' HG22 ' A' ' 68' ' ' THR . 13.5 p -141.22 165.82 26.47 Favored 'General case' 0 C--N 1.286 -2.179 0 N-CA-C 107.809 -1.182 . . . . 1.31 107.809 -177.381 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.961 ' HB3' ' HG3' ' A' ' 43' ' ' MET . 97.0 m-85 -88.96 23.19 2.45 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 113.437 0.902 . . . . 1.03 113.437 -169.072 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.6 t -165.75 -53.98 0.03 OUTLIER 'General case' 0 C--N 1.309 -1.193 0 CA-C-N 115.773 -0.649 . . . . 1.37 110.911 173.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -63.41 -49.71 72.7 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 112.533 0.568 . . . . 2.31 112.533 -178.252 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.57 ' HB3' ' HD3' ' A' ' 30' ' ' LYS . 12.3 m-20 -97.83 2.39 49.3 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 113.688 0.995 . . . . 1.67 113.688 -179.084 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.42 HD13 HG11 ' A' ' 15' ' ' VAL . 68.3 mt -124.94 168.81 12.78 Favored 'General case' 0 C--N 1.309 -1.177 0 N-CA-C 112.935 0.717 . . . . 0.69 112.935 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.539 ' HB3' ' HB1' ' A' ' 19' ' ' ALA . 12.9 t70 -82.81 -13.48 56.15 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-N 114.659 -1.155 . . . . 2.15 109.131 -176.434 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.2 m -75.89 126.79 36.99 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.204 0 CA-C-N 115.105 -0.952 . . . . 2.23 110.977 -178.516 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -73.54 156.24 38.34 Favored 'General case' 0 C--N 1.283 -2.323 0 N-CA-C 106.237 -1.764 . . . . 2.96 106.237 171.544 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 78.0 p -64.42 -48.81 73.98 Favored 'General case' 0 C--N 1.295 -1.766 0 C-N-CA 120.948 -0.301 . . . . 1.19 110.964 -174.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.3 mp -62.3 -23.23 66.62 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-O 121.152 0.501 . . . . 1.34 111.124 179.111 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.3 m -81.48 -33.79 31.73 Favored 'General case' 0 N--CA 1.439 -1.017 0 C-N-CA 123.356 0.662 . . . . 1.26 110.279 178.752 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.961 ' HG3' ' HB3' ' A' ' 32' ' ' PHE . 13.6 tmm? -61.28 -26.34 67.71 Favored 'General case' 0 C--O 1.223 -0.339 0 C-N-CA 123.604 0.762 . . . . 0.97 110.412 -179.718 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.459 ' HA ' HG12 ' A' ' 47' ' ' VAL . 23.9 t -56.63 -23.58 17.53 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.41 0 CA-C-N 116.241 -0.436 . . . . 0.65 111.269 178.863 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -82.57 -28.17 31.1 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 122.096 -0.377 . . . . 2.06 111.644 177.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.543 HG23 ' HB ' ' A' ' 14' ' ' ILE . 7.1 p -83.85 -36.34 12.14 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 C-N-CA 120.257 -0.577 . . . . 1.43 110.978 178.775 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.459 HG12 ' HA ' ' A' ' 44' ' ' VAL . 11.8 p -62.03 -42.32 94.45 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.791 0 C-N-CA 120.89 -0.324 . . . . 0.53 111.657 -179.59 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 13.0 p -69.51 -28.92 39.77 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.817 0 CA-C-O 121.298 0.57 . . . . 0.65 110.707 -179.397 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.405 ' HB3' HG21 ' A' ' 14' ' ' ILE . . . -80.57 -29.77 37.01 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.298 0.57 . . . . 0.32 110.462 -179.337 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.91 -30.43 71.42 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 116.063 -0.517 . . . . 0.36 111.563 -179.346 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -55.47 -55.94 25.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.674 0.273 . . . . 0.78 111.311 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.513 ' HG3' ' N ' ' A' ' 53' ' ' ARG . 5.0 pt-20 -67.06 -37.24 83.68 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.952 0.406 . . . . 0.96 111.23 -178.309 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.547 ' HA ' ' CZ ' ' A' ' 53' ' ' ARG . 3.0 mmp_? -72.82 -32.78 65.77 Favored 'General case' 0 N--CA 1.443 -0.791 0 N-CA-C 112.642 0.608 . . . . 3.85 112.642 -172.638 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -102.74 4.82 38.43 Favored 'General case' 0 C--N 1.308 -1.219 0 N-CA-C 112.113 0.412 . . . . 0.4 112.113 -179.7 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 38.7 t70 63.2 33.31 14.41 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-O 122.954 1.359 . . . . 1.95 109.879 176.697 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.59 HG11 HG23 ' A' ' 76' ' ' ILE . 7.6 p -126.96 177.68 5.33 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.116 0 CA-C-N 114.559 -1.201 . . . . 1.37 109.801 -172.746 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.465 ' H ' HG22 ' A' ' 56' ' ' VAL . 50.8 mtpt -121.77 141.5 51.14 Favored 'General case' 0 C--N 1.305 -1.365 0 N-CA-C 108.254 -1.017 . . . . 3.34 108.254 174.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 45.9 mt -133.09 88.39 36.64 Favored Pre-proline 0 C--N 1.288 -2.08 0 N-CA-C 108.414 -0.958 . . . . 0.57 108.414 176.394 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.528 ' O ' HG23 ' A' ' 63' ' ' VAL . 29.3 Cg_exo -65.25 151.34 85.69 Favored 'Trans proline' 0 C--O 1.238 0.509 0 C-N-CA 123.419 2.746 . . . . 0.63 111.471 179.756 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -50.88 -42.99 59.49 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.381 1.072 . . . . 2.3 111.92 -177.05 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -66.02 -41.68 90.67 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.086 -0.506 . . . . 2.38 110.596 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.526 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 11.4 m-20 -69.46 -29.72 67.47 Favored 'General case' 0 CA--C 1.499 -1.018 0 CA-C-N 116.016 -0.538 . . . . 1.52 112.258 -179.745 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 59' ' ' PRO . 80.6 t -58.65 -60.61 2.09 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.909 0 N-CA-C 108.339 -0.985 . . . . 0.79 108.339 174.785 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -62.18 -13.75 30.6 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.4 1.08 . . . . 1.24 112.46 -176.173 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 12.3 t30 -85.66 -14.17 46.36 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-O 121.627 0.727 . . . . 2.07 110.972 179.016 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.526 ' HG ' ' O ' ' A' ' 62' ' ' ASP . 67.4 mt -96.24 -174.61 3.12 Favored 'General case' 0 C--N 1.317 -0.848 0 N-CA-C 108.979 -0.749 . . . . 0.6 108.979 -178.755 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.415 ' HG2' ' OD2' ' A' ' 71' ' ' ASP . 4.2 ptpp? -163.61 -54.02 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.622 0.248 . . . . 2.69 111.175 179.18 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.472 HG22 ' HB3' ' A' ' 31' ' ' SER . 52.5 p -104.4 -178.61 3.71 Favored 'General case' 0 N--CA 1.427 -1.583 0 N-CA-C 108.484 -0.932 . . . . 0.46 108.484 176.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.5 HG12 ' CZ ' ' A' ' 32' ' ' PHE . 25.4 m -79.49 -13.69 13.32 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.145 0 C-N-CA 120.227 -0.589 . . . . 0.66 109.416 176.003 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -74.73 -19.2 80.0 Favored Glycine 0 C--O 1.215 -1.038 0 N-CA-C 110.405 -1.078 . . . . 0.46 110.405 176.438 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.415 ' OD2' ' HG2' ' A' ' 67' ' ' LYS . 3.0 m-20 -83.44 -47.02 11.83 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 108.569 -0.9 . . . . 1.62 108.569 175.107 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.516 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -62.87 -49.52 74.52 Favored 'General case' 0 CA--C 1.506 -0.714 0 CA-C-N 113.957 -1.474 . . . . 0.51 112.045 -173.433 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.685 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 2.1 p -48.56 -56.0 9.57 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.238 0.961 . . . . 0.46 112.631 -177.001 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 62.9 mmtt -54.58 -39.76 68.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.393 1.058 . . . . 3.54 111.262 -174.823 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 82.9 t80 -75.07 -47.13 30.32 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.255 -0.43 . . . . 0.83 110.404 -179.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.59 HG23 HG11 ' A' ' 56' ' ' VAL . 91.2 mt -58.95 -63.39 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.621 -0.718 . . . . 0.65 110.841 -178.708 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.685 ' HG ' ' O ' ' A' ' 73' ' ' THR . 2.7 pp -58.77 -22.44 58.06 Favored 'General case' 0 C--O 1.236 0.379 0 N-CA-C 113.646 0.98 . . . . 1.74 113.646 -173.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 38.5 t70 . . . . . 0 C--N 1.306 -1.311 0 CA-C-N 116.041 -0.527 . . . . 1.32 111.396 -177.253 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.502 -0.902 0 N-CA-C 107.849 -1.167 . . . . 1.12 107.849 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.459 ' O ' HG12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -102.15 -170.5 1.82 Allowed 'General case' 0 C--N 1.3 -1.547 0 C-N-CA 119.974 -0.691 . . . . 1.57 109.527 178.706 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.559 ' HG3' HD22 ' A' ' 77' ' ' LEU . 55.5 mt-30 -62.02 -38.13 87.5 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 113.01 0.744 . . . . 1.76 113.01 -172.887 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -62.74 -50.75 69.85 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.772 0.32 . . . . 3.05 110.396 177.39 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -66.65 -36.16 81.89 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 115.828 -0.623 . . . . 2.53 110.601 -179.618 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.459 HG12 ' O ' ' A' ' 3' ' ' THR . 25.9 mm -64.42 -51.83 63.08 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.882 0 N-CA-C 109.046 -0.724 . . . . 0.45 109.046 179.316 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.537 ' HA ' HD12 ' A' ' 11' ' ' LEU . 89.9 t -63.41 -35.5 72.61 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.771 0 CA-C-N 116.238 -0.437 . . . . 0.57 111.22 179.345 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.43 -42.44 96.06 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-O 121.081 0.467 . . . . 0.48 110.034 176.632 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.27 -40.81 92.13 Favored Glycine 0 N--CA 1.435 -1.421 0 N-CA-C 110.728 -0.949 . . . . 0.37 110.728 179.183 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.537 HD12 ' HA ' ' A' ' 8' ' ' VAL . 92.5 mt -56.09 -52.68 63.44 Favored 'General case' 0 CA--C 1.51 -0.59 0 C-N-CA 122.931 0.493 . . . . 0.33 110.644 177.446 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.44 ' HB2' ' HB ' ' A' ' 26' ' ' VAL . . . -59.8 -29.99 68.61 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.509 -0.769 . . . . 0.28 112.711 -177.402 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -63.11 -44.9 94.37 Favored 'General case' 0 N--CA 1.421 -1.882 0 CA-C-O 120.825 0.345 . . . . 2.48 110.499 178.481 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.644 HG21 ' HB3' ' A' ' 49' ' ' ALA . 3.1 mp -79.14 -29.27 13.8 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.492 0 C-N-CA 118.796 -1.162 . . . . 0.44 109.925 178.465 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 11' ' ' LEU . 40.7 t -65.61 -27.78 42.46 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 CA-C-O 121.688 0.756 . . . . 0.34 109.728 177.038 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -70.62 -40.39 73.17 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 115.896 -0.593 . . . . 0.95 110.23 174.709 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -69.66 -44.55 70.31 Favored 'General case' 0 C--N 1.303 -1.428 0 CA-C-N 115.769 -0.65 . . . . 2.11 109.852 -179.639 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.543 HG13 ' HB ' ' A' ' 46' ' ' VAL . 41.6 mm -73.49 -53.67 17.44 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-N 115.939 -0.573 . . . . 0.71 112.039 -177.821 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.806 ' HB2' HG23 ' A' ' 38' ' ' VAL . . . -108.5 -48.53 3.31 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-O 121.066 0.46 . . . . 0.68 111.766 -174.823 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 106.19 62.25 0.61 Allowed Glycine 0 C--N 1.302 -1.317 0 C-N-CA 119.633 -1.27 . . . . 0.93 113.209 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.415 HG13 HG12 ' A' ' 15' ' ' VAL . 2.1 pp -104.94 158.46 31.99 Favored Pre-proline 0 C--N 1.301 -1.523 0 N-CA-C 109.163 -0.68 . . . . 0.6 109.163 173.867 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.415 ' C ' ' H ' ' A' ' 24' ' ' GLU . 24.0 Cg_exo -66.24 142.42 66.78 Favored 'Trans proline' 0 N--CA 1.445 -1.326 0 C-N-CA 121.612 1.541 . . . . 0.75 108.689 173.161 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.7 p -84.64 32.26 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.304 -1.411 0 CA-C-O 123.134 1.445 . . . . 1.48 110.26 -176.859 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.415 ' H ' ' C ' ' A' ' 22' ' ' PRO . 11.8 pt-20 -138.88 10.21 2.62 Favored 'General case' 0 C--N 1.302 -1.477 0 CA-C-N 113.86 -1.518 . . . . 2.03 108.079 178.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -100.52 -38.44 8.38 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.25 -0.886 . . . . 1.07 110.928 -178.213 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.446 HG22 HD22 ' A' ' 36' ' ' LEU . 20.1 t -82.39 91.98 2.4 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.396 0 CA-C-N 115.003 -0.999 . . . . 0.73 110.685 -173.455 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.552 ' H ' ' HG3' ' A' ' 30' ' ' LYS . 96.2 mttt -103.0 -178.27 3.61 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 108.184 -1.043 . . . . 2.83 108.184 173.549 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.443 HD11 ' HB3' ' A' ' 4' ' ' GLN . 4.6 mm? -65.02 -28.1 69.27 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 114.376 1.25 . . . . 1.07 114.376 -175.735 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -88.39 15.96 7.07 Favored 'General case' 0 N--CA 1.486 1.328 0 N-CA-C 112.147 0.425 . . . . 2.47 112.147 -178.6 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.552 ' HG3' ' H ' ' A' ' 27' ' ' LYS . 28.5 mmmt -100.76 134.57 43.53 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 108.899 -0.778 . . . . 1.06 108.899 179.727 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.613 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 0.7 OUTLIER -109.65 151.09 27.32 Favored 'General case' 0 C--N 1.291 -1.956 0 N-CA-C 107.246 -1.391 . . . . 1.31 107.246 176.03 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.539 ' HA ' HD12 ' A' ' 36' ' ' LEU . 98.5 m-85 -54.88 -48.0 73.53 Favored 'General case' 0 C--N 1.311 -1.066 0 N-CA-C 114.557 1.317 . . . . 1.03 114.557 -172.029 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.0 t -121.77 23.1 10.28 Favored 'General case' 0 C--N 1.297 -1.702 0 C-N-CA 118.448 -1.301 . . . . 1.37 110.577 -178.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.573 ' HB2' ' HB2' ' A' ' 31' ' ' SER . 10.2 m-20 -115.2 -36.41 4.38 Favored 'General case' 0 C--N 1.307 -1.276 0 N-CA-C 108.856 -0.794 . . . . 2.31 108.856 176.258 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -123.28 -27.61 4.11 Favored 'General case' 0 CA--C 1.494 -1.185 0 CA-C-N 115.643 -0.708 . . . . 1.67 110.891 -176.41 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.539 HD12 ' HA ' ' A' ' 32' ' ' PHE . 71.3 mt -88.34 147.96 24.51 Favored 'General case' 0 N--CA 1.429 -1.524 0 CA-C-O 121.436 0.636 . . . . 0.69 112.069 -176.858 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -96.75 70.69 2.54 Favored 'General case' 0 C--N 1.284 -2.254 0 CA-C-O 123.08 1.419 . . . . 2.15 110.354 -178.106 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.806 HG23 ' HB2' ' A' ' 19' ' ' ALA . 12.9 p -127.67 171.4 16.01 Favored 'Isoleucine or valine' 0 C--N 1.267 -3.018 0 N-CA-C 105.041 -2.207 . . . . 2.23 105.041 173.118 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -69.91 -84.62 0.03 OUTLIER 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 109.003 -0.74 . . . . 2.96 109.003 172.668 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 68.1 p 156.89 -47.73 0.0 OUTLIER 'General case' 0 C--O 1.212 -0.873 0 C-N-CA 127.089 2.155 . . . . 1.19 108.386 173.319 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.4 mp -69.33 -25.68 64.33 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 107.234 -1.395 . . . . 1.34 107.234 177.401 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 34.0 t -81.56 -14.89 56.29 Favored 'General case' 0 CA--C 1.562 1.406 0 CA-C-N 113.959 -1.473 . . . . 1.26 110.819 175.051 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.421 ' HA ' HG12 ' A' ' 46' ' ' VAL . 7.8 tmm? -73.06 -23.01 60.51 Favored 'General case' 0 N--CA 1.484 1.234 0 N-CA-C 108.004 -1.11 . . . . 0.97 108.004 -179.395 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.493 ' HA ' HG12 ' A' ' 47' ' ' VAL . 27.7 t -61.77 -22.7 29.05 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.718 0 CA-C-O 121.671 0.748 . . . . 0.65 109.904 176.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -76.85 -30.73 56.43 Favored 'General case' 0 CA--C 1.555 1.15 0 CA-C-N 115.595 -0.73 . . . . 2.06 110.575 176.49 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.553 HG23 ' CG2' ' A' ' 14' ' ' ILE . 7.2 p -81.27 -40.11 17.94 Favored 'Isoleucine or valine' 0 C--N 1.343 0.32 0 O-C-N 121.903 -0.498 . . . . 1.43 111.255 179.422 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.493 HG12 ' HA ' ' A' ' 44' ' ' VAL . 10.2 p -60.76 -37.33 75.85 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.98 0 C-N-CA 120.579 -0.449 . . . . 0.53 112.024 -179.59 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 13.4 p -70.55 -26.59 28.9 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.748 0 CA-C-O 121.458 0.647 . . . . 0.65 110.71 179.256 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.644 ' HB3' HG21 ' A' ' 14' ' ' ILE . . . -82.82 -26.22 31.93 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.522 0.677 . . . . 0.32 109.356 177.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.78 -34.24 77.4 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 115.888 -0.596 . . . . 0.36 110.806 178.17 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -52.95 -56.91 12.46 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.134 -0.484 . . . . 0.78 111.837 179.646 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.551 ' HG3' ' N ' ' A' ' 53' ' ' ARG . 5.4 pt-20 -62.42 -38.7 90.73 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 121.003 0.43 . . . . 0.96 111.43 -179.766 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.552 ' HG3' HD11 ' A' ' 14' ' ' ILE . 4.2 mmp_? -70.19 -41.12 74.14 Favored 'General case' 0 N--CA 1.441 -0.879 0 CA-C-N 116.003 -0.544 . . . . 3.85 112.303 -172.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -94.14 2.86 55.91 Favored 'General case' 0 CA--C 1.5 -0.952 0 C-N-CA 120.488 -0.485 . . . . 0.4 111.728 -178.837 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 33.4 t70 65.51 33.81 8.41 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-O 122.311 1.053 . . . . 1.95 109.975 175.251 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 16.8 m -114.93 -172.78 0.58 Allowed 'Isoleucine or valine' 0 C--O 1.242 0.687 0 CA-C-N 115.005 -0.998 . . . . 1.37 111.488 -178.286 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 32.3 mtmm -138.53 129.37 26.63 Favored 'General case' 0 C--N 1.315 -0.928 0 N-CA-C 105.294 -2.113 . . . . 3.34 105.294 176.523 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.487 HG12 ' HE2' ' A' ' 75' ' ' TYR . 23.8 mt -131.42 109.64 14.89 Favored Pre-proline 0 C--N 1.304 -1.41 0 N-CA-C 109.529 -0.545 . . . . 0.57 109.529 -179.079 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.561 ' O ' HG23 ' A' ' 63' ' ' VAL . 20.8 Cg_exo -65.83 141.22 64.38 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 123.328 2.685 . . . . 0.63 111.216 -179.192 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -48.6 -46.56 39.61 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 124.277 1.031 . . . . 2.3 112.365 -176.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -69.31 -35.3 75.83 Favored 'General case' 0 CA--C 1.494 -1.187 0 CA-C-N 115.75 -0.659 . . . . 2.38 111.314 -177.511 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -80.32 -26.22 38.89 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-N 116.085 -0.507 . . . . 1.52 110.053 -175.585 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 59' ' ' PRO . 79.1 t -55.63 -62.53 0.78 Allowed 'Isoleucine or valine' 0 C--O 1.213 -0.838 0 N-CA-C 107.734 -1.209 . . . . 0.79 107.734 171.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -65.51 -2.81 3.66 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.872 -1.058 . . . . 1.24 113.534 -174.596 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -86.98 -19.24 29.02 Favored 'General case' 0 C--N 1.31 -1.133 0 N-CA-C 109.611 -0.514 . . . . 2.07 109.611 178.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.651 HD13 ' HA ' ' A' ' 72' ' ' ALA . 80.5 mt -83.05 179.55 7.72 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.814 -0.63 . . . . 0.6 110.602 -178.055 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.491 ' HG3' HG23 ' A' ' 68' ' ' THR . 14.3 ptmm? -148.83 -53.49 0.18 Allowed 'General case' 0 CA--C 1.555 1.139 0 N-CA-C 113.492 0.923 . . . . 2.69 113.492 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.613 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 58.1 p -101.56 175.8 5.44 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 121.506 -0.746 . . . . 0.46 109.242 -178.359 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 25.0 m -77.39 -22.65 14.32 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.767 0 C-N-CA 119.186 -1.005 . . . . 0.66 108.949 174.202 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -70.64 -43.19 60.92 Favored Glycine 0 N--CA 1.444 -0.77 0 N-CA-C 109.957 -1.257 . . . . 0.46 109.957 177.122 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.438 ' OD2' ' HA ' ' A' ' 66' ' ' LEU . 30.9 t70 -67.0 -29.63 69.51 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.678 0.752 . . . . 1.62 109.519 179.013 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.651 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -77.12 -43.33 34.5 Favored 'General case' 0 N--CA 1.441 -0.918 0 CA-C-N 115.096 -0.956 . . . . 0.51 110.412 179.033 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 37.0 p -60.66 -27.99 68.24 Favored 'General case' 0 N--CA 1.441 -0.917 0 N-CA-C 112.73 0.641 . . . . 0.46 112.73 179.279 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -62.12 -50.23 72.74 Favored 'General case' 0 C--O 1.216 -0.684 0 O-C-N 123.668 0.605 . . . . 3.54 109.496 177.716 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.487 ' HE2' HG12 ' A' ' 58' ' ' ILE . 84.2 t80 -54.97 -44.29 74.27 Favored 'General case' 0 C--O 1.246 0.912 0 CA-C-O 121.329 0.585 . . . . 0.83 111.016 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 62.5 mt -71.84 -66.65 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.46 0 CA-C-N 114.804 -1.089 . . . . 0.65 109.639 -177.173 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.559 HD22 ' HG3' ' A' ' 4' ' ' GLN . 50.1 tp -53.3 -34.12 56.06 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.933 1.293 . . . . 1.74 113.502 -175.886 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 17.9 t70 . . . . . 0 C--N 1.315 -0.919 0 CA-C-O 120.935 0.398 . . . . 1.32 111.771 -179.336 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.097 0 CA-C-O 120.551 0.215 . . . . 2.17 110.504 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.55 ' HB3' HD13 ' A' ' 7' ' ' ILE . . . -152.79 155.82 37.88 Favored 'General case' 0 N--CA 1.445 -0.695 0 N-CA-C 108.135 -1.061 . . . . 1.12 108.135 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.631 ' O ' HG12 ' A' ' 7' ' ' ILE . 1.0 OUTLIER -93.85 -168.98 1.99 Allowed 'General case' 0 C--O 1.206 -1.185 0 N-CA-C 108.748 -0.834 . . . . 1.57 108.748 177.707 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.456 ' H ' HG22 ' A' ' 3' ' ' THR . 13.1 pt20 -58.46 -43.15 88.78 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 119.665 1.12 . . . . 1.76 113.801 -170.444 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.448 ' HG2' ' HG3' ' A' ' 6' ' ' GLU . 2.9 pm0 -74.51 -35.13 63.19 Favored 'General case' 0 N--CA 1.439 -1.005 0 CA-C-O 121.728 0.775 . . . . 3.05 109.422 -178.101 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.528 ' CB ' ' HB1' ' A' ' 2' ' ' ALA . 41.4 mt-10 -74.72 -32.34 62.11 Favored 'General case' 0 N--CA 1.431 -1.404 0 CA-C-N 114.743 -1.117 . . . . 2.53 110.593 -176.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.631 HG12 ' O ' ' A' ' 3' ' ' THR . 42.8 mm -61.16 -54.8 30.3 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.523 0 N-CA-C 107.21 -1.404 . . . . 0.45 107.21 174.77 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.553 ' HA ' HD12 ' A' ' 11' ' ' LEU . 88.2 t -53.88 -48.78 62.21 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 CA-C-N 115.199 -0.91 . . . . 0.57 110.562 178.373 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.95 -42.68 85.47 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.227 -0.442 . . . . 0.48 111.4 177.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.83 -41.41 95.61 Favored Glycine 0 C--O 1.222 -0.62 0 N-CA-C 110.875 -0.89 . . . . 0.37 110.875 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.553 HD12 ' HA ' ' A' ' 8' ' ' VAL . 94.4 mt -56.46 -48.85 76.21 Favored 'General case' 0 C--O 1.239 0.512 0 C-N-CA 123.279 0.631 . . . . 0.33 110.296 177.318 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.1 -28.17 68.9 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.248 -0.887 . . . . 0.28 113.227 -176.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -59.06 -45.53 90.54 Favored 'General case' 0 C--O 1.237 0.411 0 N-CA-C 109.63 -0.507 . . . . 2.48 109.63 177.326 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.592 HG21 ' HA ' ' A' ' 46' ' ' VAL . 3.6 mp -75.01 -42.27 45.66 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.279 0 CA-C-N 115.862 -0.608 . . . . 0.44 109.839 179.185 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.655 HG11 HD13 ' A' ' 36' ' ' LEU . 21.6 t -62.53 -27.02 42.02 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.198 0 CA-C-O 121.979 0.895 . . . . 0.34 111.234 -178.706 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.423 ' HA ' ' H ' ' A' ' 21' ' ' ILE . 21.8 t-20 -69.72 -39.53 76.78 Favored 'General case' 0 C--N 1.32 -0.702 0 O-C-N 121.748 -0.595 . . . . 0.95 111.196 176.585 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -80.71 -26.95 37.13 Favored 'General case' 0 C--N 1.315 -0.915 0 C-N-CA 119.657 -0.817 . . . . 2.11 111.509 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.408 HG12 ' O ' ' A' ' 14' ' ' ILE . 47.3 mm -81.15 -55.18 8.64 Favored 'Isoleucine or valine' 0 C--O 1.244 0.767 0 C-N-CA 120.62 -0.432 . . . . 0.71 110.92 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.495 ' HB1' ' HB3' ' A' ' 37' ' ' ASP . . . -104.27 -53.88 2.64 Favored 'General case' 0 C--N 1.303 -1.45 0 CA-C-O 121.036 0.446 . . . . 0.68 111.203 -177.525 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 114.17 71.96 0.55 Allowed Glycine 0 N--CA 1.434 -1.478 0 C-N-CA 119.744 -1.217 . . . . 0.93 111.964 -178.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.423 ' H ' ' HA ' ' A' ' 16' ' ' ASN . 2.2 pp -113.89 151.03 44.4 Favored Pre-proline 0 C--N 1.294 -1.837 0 N-CA-C 109.725 -0.472 . . . . 0.6 109.725 176.449 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.419 ' C ' ' H ' ' A' ' 24' ' ' GLU . 17.4 Cg_exo -67.06 132.26 27.52 Favored 'Trans proline' 0 N--CA 1.449 -1.134 0 C-N-CA 121.782 1.655 . . . . 0.75 110.05 176.61 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.6 m -80.47 28.33 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.31 -1.115 0 CA-C-O 122.439 1.114 . . . . 1.48 112.876 -178.051 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.419 ' H ' ' C ' ' A' ' 22' ' ' PRO . 11.8 pt-20 -131.78 -3.95 3.65 Favored 'General case' 0 C--N 1.297 -1.705 0 CA-C-N 113.789 -1.551 . . . . 2.03 107.728 176.596 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.671 ' O ' ' HE3' ' A' ' 30' ' ' LYS . 18.2 t70 -94.11 -48.54 6.17 Favored 'General case' 0 CA--C 1.493 -1.215 0 CA-C-N 115.007 -0.997 . . . . 1.07 109.624 -174.301 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.484 ' HA ' ' HG3' ' A' ' 30' ' ' LYS . 35.0 t -71.04 94.91 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.076 0 CA-C-N 114.49 -1.232 . . . . 0.73 109.779 -177.106 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -113.62 -164.85 0.95 Allowed 'General case' 0 C--N 1.3 -1.548 0 CA-C-N 114.442 -1.253 . . . . 2.83 107.688 177.01 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.475 HD13 HG21 ' A' ' 8' ' ' VAL . 4.0 mm? -68.64 -33.33 73.83 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 113.087 0.773 . . . . 1.07 113.087 -177.539 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -88.35 63.92 7.33 Favored 'General case' 0 C--O 1.247 0.93 0 CA-C-O 122.718 1.247 . . . . 2.47 110.64 179.487 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.671 ' HE3' ' O ' ' A' ' 25' ' ' ASP . 67.2 mmtt -142.34 164.97 28.7 Favored 'General case' 0 C--N 1.309 -1.153 0 CA-C-N 113.938 -1.483 . . . . 1.06 109.775 -178.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.523 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 41.0 t -144.92 161.76 38.53 Favored 'General case' 0 C--N 1.296 -1.746 0 N-CA-C 105.304 -2.11 . . . . 1.31 105.304 175.208 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.421 ' CZ ' ' H6 ' ' A' ' 101' ' ' SXO . 80.0 m-85 -81.54 -66.35 0.9 Allowed 'General case' 0 CA--C 1.49 -1.334 0 CA-C-O 121.331 0.586 . . . . 1.03 111.066 -168.158 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 27.9 p -92.45 36.1 1.01 Allowed 'General case' 0 C--N 1.268 -2.935 0 C-N-CA 119.369 -0.933 . . . . 1.37 112.175 -177.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.521 ' HB2' ' HB3' ' A' ' 31' ' ' SER . 6.8 m-20 -140.89 -50.89 0.45 Allowed 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.437 -0.801 . . . . 2.31 109.162 -179.319 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -110.32 6.06 22.12 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.874 -0.603 . . . . 1.67 110.91 -173.365 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.655 HD13 HG11 ' A' ' 15' ' ' VAL . 64.4 mt -112.42 -166.26 1.06 Allowed 'General case' 0 CA--C 1.504 -0.79 0 N-CA-C 108.494 -0.928 . . . . 0.69 108.494 177.737 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.495 ' HB3' ' HB1' ' A' ' 19' ' ' ALA . 19.4 t70 -74.84 -8.02 55.19 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.48 0.657 . . . . 2.15 110.393 -178.373 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 57.8 t 65.82 75.92 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.448 -0.569 0 CA-C-O 122.929 1.347 . . . . 2.23 110.876 177.267 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.75 -30.32 70.71 Favored 'General case' 0 C--N 1.303 -1.441 0 CA-C-N 113.204 -1.817 . . . . 2.96 109.256 178.065 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.55 ' OG ' HD22 ' A' ' 41' ' ' LEU . 28.8 t 56.13 -102.61 0.16 Allowed 'General case' 0 N--CA 1.44 -0.96 0 C-N-CA 125.543 1.537 . . . . 1.19 112.081 -178.786 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.55 HD22 ' OG ' ' A' ' 40' ' ' SER . 3.1 mm? -72.68 -29.15 63.17 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-O 121.748 0.785 . . . . 1.34 110.037 -177.605 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 25.6 m -73.85 -13.02 60.86 Favored 'General case' 0 C--N 1.306 -1.312 0 CA-C-N 115.302 -0.863 . . . . 1.26 111.027 179.435 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.4 ' O ' ' HB ' ' A' ' 46' ' ' VAL . 20.2 ttp -67.81 -21.47 65.22 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-O 121.262 0.553 . . . . 0.97 109.554 179.529 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.53 ' HA ' HG12 ' A' ' 47' ' ' VAL . 41.7 t -65.84 -26.04 37.71 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.78 0 N-CA-C 109.387 -0.598 . . . . 0.65 109.387 176.689 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -76.12 -26.56 56.49 Favored 'General case' 0 N--CA 1.463 0.177 0 N-CA-C 108.739 -0.838 . . . . 2.06 108.739 177.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.592 ' HA ' HG21 ' A' ' 14' ' ' ILE . 76.0 t -71.26 -60.95 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 115.106 -0.952 . . . . 1.43 108.765 177.118 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.587 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 10.1 p -55.29 -43.27 70.39 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 N-CA-C 113.08 0.77 . . . . 0.53 113.08 -176.494 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 14.8 p -61.5 -34.46 61.62 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.845 0 CA-C-O 121.463 0.649 . . . . 0.65 111.012 -178.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.665 ' O ' ' HG2' ' A' ' 53' ' ' ARG . . . -78.02 -33.36 51.19 Favored 'General case' 0 N--CA 1.439 -0.994 0 N-CA-C 109.634 -0.506 . . . . 0.32 109.634 178.364 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.83 -33.74 75.37 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 116.013 -0.54 . . . . 0.36 111.841 -178.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.587 ' HG3' ' O ' ' A' ' 47' ' ' VAL . 41.5 mt-10 -53.89 -53.56 50.88 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 123.48 0.487 . . . . 0.78 110.558 178.492 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.574 ' HG3' ' HE ' ' A' ' 53' ' ' ARG . 12.8 pt-20 -69.83 -32.28 70.6 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 116.272 -0.422 . . . . 0.96 111.412 -178.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.665 ' HG2' ' O ' ' A' ' 49' ' ' ALA . 6.7 mmp_? -63.75 -44.39 93.66 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.874 0.369 . . . . 3.85 111.079 -178.165 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -101.77 8.93 41.26 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 112.683 0.623 . . . . 0.4 112.683 -174.008 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 65.24 36.65 6.93 Favored 'General case' 0 N--CA 1.478 0.928 0 O-C-N 123.608 0.567 . . . . 1.95 111.803 177.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.517 HG23 ' HA ' ' A' ' 51' ' ' GLU . 21.4 m -119.89 -176.96 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.253 0 CA-C-N 116.194 -0.457 . . . . 1.37 110.553 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.445 ' HA ' ' HD2' ' A' ' 57' ' ' LYS . 23.5 tptp -149.66 105.79 3.48 Favored 'General case' 0 C--N 1.294 -1.805 0 N-CA-C 106.168 -1.79 . . . . 3.34 106.168 175.127 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 61.9 mt -104.9 110.65 64.76 Favored Pre-proline 0 C--N 1.286 -2.194 0 N-CA-C 109.926 -0.398 . . . . 0.57 109.926 -171.409 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.507 ' O ' HG23 ' A' ' 63' ' ' VAL . 35.5 Cg_exo -63.16 148.5 93.12 Favored 'Trans proline' 0 C--O 1.242 0.681 0 C-N-CA 122.791 2.327 . . . . 0.63 111.049 178.053 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -55.77 -31.42 62.58 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 124.775 1.23 . . . . 2.3 110.059 -177.047 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -61.96 -57.1 12.98 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 114.254 -1.339 . . . . 2.38 109.865 178.176 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.49 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 8.1 m-20 -62.2 -32.9 73.6 Favored 'General case' 0 CA--C 1.495 -1.156 0 CA-C-N 115.635 -0.711 . . . . 1.52 112.702 -177.155 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 59' ' ' PRO . 34.6 t -54.7 -51.2 53.71 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.714 0 O-C-N 123.603 0.564 . . . . 0.79 110.085 179.752 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 35.9 mtmm -82.08 -6.41 59.14 Favored 'General case' 0 C--N 1.322 -0.628 0 O-C-N 122.137 -0.352 . . . . 1.24 111.819 -178.293 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -94.44 -7.42 41.51 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.962 0.411 . . . . 2.07 111.026 179.104 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.69 ' HB2' ' H4 ' ' A' ' 101' ' ' SXO . 98.4 mt -96.96 163.45 12.95 Favored 'General case' 0 C--N 1.308 -1.236 0 N-CA-C 108.276 -1.009 . . . . 0.6 108.276 176.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.2 pttp -122.69 -83.2 0.66 Allowed 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 114.755 1.391 . . . . 2.69 114.755 -176.143 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.482 HG22 ' HB2' ' A' ' 31' ' ' SER . 77.3 p -88.01 -177.0 5.65 Favored 'General case' 0 C--N 1.304 -1.407 0 C-N-CA 120.415 -0.514 . . . . 0.46 110.132 -175.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.6 m -81.87 -20.43 10.5 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.065 0 N-CA-C 109.015 -0.735 . . . . 0.66 109.015 176.618 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -79.21 -25.48 59.38 Favored Glycine 0 N--CA 1.44 -1.092 0 N-CA-C 109.375 -1.49 . . . . 0.46 109.375 176.246 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -83.11 -43.19 16.52 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 114.715 -0.742 . . . . 1.62 110.709 176.633 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.566 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -65.64 -37.65 87.15 Favored 'General case' 0 CA--C 1.503 -0.85 0 CA-C-N 115.836 -0.62 . . . . 0.51 111.173 -176.538 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.647 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 2.9 p -57.22 -34.16 68.27 Favored 'General case' 0 N--CA 1.432 -1.372 0 CA-C-N 115.735 -0.666 . . . . 0.46 112.277 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 49.4 tptt -53.56 -46.46 70.27 Favored 'General case' 0 C--O 1.224 -0.281 0 O-C-N 123.792 0.683 . . . . 3.54 111.342 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -72.5 -43.72 63.24 Favored 'General case' 0 C--N 1.309 -1.195 0 CA-C-O 121.108 0.48 . . . . 0.83 110.375 -178.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.473 ' O ' ' HG2' ' A' ' 80' ' ' GLN . 70.7 mt -65.23 -65.33 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 CA-C-N 115.278 -0.874 . . . . 0.65 111.715 -175.818 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.647 ' HG ' ' O ' ' A' ' 73' ' ' THR . 4.2 pp -59.95 -22.08 62.01 Favored 'General case' 0 CA--C 1.516 -0.346 0 N-CA-C 113.071 0.767 . . . . 1.74 113.071 -173.594 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -84.64 -33.77 23.2 Favored 'General case' 0 C--N 1.308 -1.229 0 CA-C-N 116.133 -0.485 . . . . 1.32 111.628 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 23.0 t-80 -86.85 -26.49 24.0 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 120.329 -0.549 . . . . 2.89 110.942 -173.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.473 ' HG2' ' O ' ' A' ' 76' ' ' ILE . 2.0 pt20 -71.99 177.4 4.35 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 122.125 0.964 . . . . 2.23 112.57 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.41 -2.425 0 N-CA-C 105.751 -1.944 . . . . 3.38 105.751 174.674 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 101' ' ' SXO . . . . . 0.69 ' H4 ' ' HB2' ' A' ' 66' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.514 -0.408 0 N-CA-C 108.043 -1.095 . . . . 2.17 108.043 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.512 ' HB3' HD13 ' A' ' 7' ' ' ILE . . . -158.03 160.74 37.76 Favored 'General case' 0 C--N 1.312 -1.048 0 N-CA-C 107.585 -1.265 . . . . 1.12 107.585 -178.469 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.461 HG22 ' H ' ' A' ' 4' ' ' GLN . 7.6 m -90.21 168.72 11.72 Favored 'General case' 0 C--N 1.289 -2.063 0 C-N-CA 119.667 -0.813 . . . . 1.57 109.417 178.754 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.472 ' HG2' HD21 ' A' ' 28' ' ' LEU . 29.9 tt0 -44.26 -50.05 9.07 Favored 'General case' 0 CA--C 1.551 1.002 0 N-CA-C 115.944 1.831 . . . . 1.76 115.944 -169.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -64.0 -48.38 76.6 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 109.255 -0.646 . . . . 3.05 109.255 179.689 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -64.95 -30.23 71.21 Favored 'General case' 0 C--O 1.222 -0.347 0 CA-C-N 115.932 -0.577 . . . . 2.53 111.47 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.512 HD13 ' HB3' ' A' ' 2' ' ' ALA . 31.5 mm -59.5 -53.32 49.83 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 N-CA-C 108.733 -0.84 . . . . 0.45 108.733 175.199 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.57 HG21 HD22 ' A' ' 28' ' ' LEU . 80.0 t -59.89 -47.1 92.83 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 CA-C-N 116.373 -0.376 . . . . 0.57 110.138 178.675 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.98 -41.37 74.69 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.967 -0.56 . . . . 0.48 111.142 178.579 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.27 -46.19 80.9 Favored Glycine 0 N--CA 1.435 -1.368 0 N-CA-C 110.39 -1.084 . . . . 0.37 110.39 178.623 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.532 HD12 ' HA ' ' A' ' 8' ' ' VAL . 94.3 mt -54.13 -48.51 70.71 Favored 'General case' 0 CA--C 1.514 -0.426 0 C-N-CA 123.725 0.81 . . . . 0.33 110.27 177.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.407 ' HA ' ' HB ' ' A' ' 15' ' ' VAL . . . -58.61 -27.92 65.12 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.119 -0.946 . . . . 0.28 113.416 -177.44 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -68.25 -44.32 75.91 Favored 'General case' 0 C--O 1.245 0.826 0 C-N-CA 119.645 -0.822 . . . . 2.48 110.546 178.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.727 ' HB ' HG23 ' A' ' 46' ' ' VAL . 3.6 mp -75.86 -33.19 25.09 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.885 0 N-CA-C 108.347 -0.983 . . . . 0.44 108.347 178.56 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.529 HG12 HG13 ' A' ' 21' ' ' ILE . 96.3 t -65.78 -28.95 45.45 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.201 0 CA-C-O 121.504 0.668 . . . . 0.34 110.763 177.005 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.402 ' O ' ' HA2' ' A' ' 20' ' ' GLY . 26.2 t-20 -72.1 -33.28 67.73 Favored 'General case' 0 C--O 1.212 -0.921 0 CA-C-O 121.209 0.528 . . . . 0.95 109.86 174.242 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -70.31 -51.23 31.79 Favored 'General case' 0 C--N 1.307 -1.24 0 N-CA-C 109.434 -0.58 . . . . 2.11 109.434 177.197 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.587 HG13 ' HB ' ' A' ' 46' ' ' VAL . 49.7 mm -70.35 -53.67 21.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.616 -0.72 . . . . 0.71 111.829 -177.254 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -102.89 -50.91 3.4 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-O 120.972 0.415 . . . . 0.68 111.245 -174.566 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.402 ' HA2' ' O ' ' A' ' 16' ' ' ASN . . . 107.12 41.54 1.65 Allowed Glycine 0 C--N 1.308 -1.009 0 C-N-CA 119.818 -1.182 . . . . 0.93 113.277 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.529 HG13 HG12 ' A' ' 15' ' ' VAL . 2.2 pp -91.2 158.67 40.94 Favored Pre-proline 0 C--N 1.308 -1.224 0 O-C-N 122.673 -0.31 . . . . 0.6 111.446 178.653 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -69.26 124.77 11.63 Favored 'Trans proline' 0 N--CA 1.446 -1.323 0 C-N-CA 121.938 1.759 . . . . 0.75 109.282 173.248 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 10.6 p -54.25 -30.5 20.82 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.076 0 C-N-CA 124.042 0.937 . . . . 1.48 112.343 -178.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -88.96 -4.74 58.35 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 111.951 0.352 . . . . 2.03 111.951 -178.063 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -84.94 -46.29 11.39 Favored 'General case' 0 CA--C 1.502 -0.879 0 C-N-CA 120.426 -0.51 . . . . 1.07 109.676 -178.787 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 1.094 ' HB ' HD21 ' A' ' 36' ' ' LEU . 1.9 p -80.45 101.54 5.58 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.581 0 CA-C-O 122.138 0.97 . . . . 0.73 111.127 178.27 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 64.7 mttm -118.0 -165.43 1.1 Allowed 'General case' 0 C--N 1.294 -1.819 0 CA-C-N 113.86 -1.518 . . . . 2.83 107.725 175.683 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.57 HD22 HG21 ' A' ' 8' ' ' VAL . 4.0 mm? -55.74 -26.43 45.48 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 115.06 1.504 . . . . 1.07 115.06 -178.074 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -93.16 64.23 3.78 Favored 'General case' 0 C--N 1.31 -1.151 0 C-N-CA 120.536 -0.466 . . . . 2.47 110.233 178.599 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.75 ' HG3' ' HA ' ' A' ' 26' ' ' VAL . 35.0 mmtm -144.46 160.68 40.68 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.118 -0.946 . . . . 1.06 111.885 178.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.472 ' H ' ' HB3' ' A' ' 35' ' ' ASP . 30.3 t -140.59 149.94 42.99 Favored 'General case' 0 C--N 1.285 -2.235 0 N-CA-C 104.334 -2.469 . . . . 1.31 104.334 172.3 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.536 ' CE1' ' H5 ' ' A' ' 101' ' ' SXO . 97.5 m-85 -66.98 -46.34 74.88 Favored 'General case' 0 C--N 1.297 -1.684 0 N-CA-C 114.02 1.118 . . . . 1.03 114.02 -165.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.873 HG21 ' HB3' ' A' ' 40' ' ' SER . 10.1 t -120.12 18.98 12.32 Favored 'General case' 0 C--N 1.278 -2.535 0 C-N-CA 118.861 -1.136 . . . . 1.37 110.456 -179.56 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -121.26 -43.28 2.43 Favored 'General case' 0 C--N 1.3 -1.553 0 CA-C-N 115.22 -0.9 . . . . 2.31 111.56 -179.356 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.472 ' HB3' ' H ' ' A' ' 31' ' ' SER . 3.9 t70 -104.67 -23.55 13.07 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 108.094 -1.076 . . . . 1.67 108.094 179.168 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 1.094 HD21 ' HB ' ' A' ' 26' ' ' VAL . 39.2 mt -97.7 179.63 4.76 Favored 'General case' 0 CA--C 1.51 -0.586 0 CA-C-N 115.433 -0.803 . . . . 0.69 110.247 178.448 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -108.37 23.21 14.86 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-O 121.622 0.725 . . . . 2.15 110.033 -177.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.45 HG23 ' HB3' ' A' ' 36' ' ' LEU . 23.4 t -88.49 128.84 40.47 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.718 0 N-CA-C 107.441 -1.318 . . . . 2.23 107.441 -179.296 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.467 ' HB2' ' HB2' ' A' ' 42' ' ' SER . 37.4 m-20 -69.94 144.41 52.39 Favored 'General case' 0 C--N 1.293 -1.855 0 N-CA-C 108.079 -1.082 . . . . 2.96 108.079 175.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.873 ' HB3' HG21 ' A' ' 33' ' ' THR . 46.8 p -67.58 -39.02 84.87 Favored 'General case' 0 C--N 1.295 -1.761 0 CA-C-O 121.438 0.637 . . . . 1.19 111.538 -177.219 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.7 mp -71.17 -15.78 62.5 Favored 'General case' 0 C--N 1.307 -1.279 0 CA-C-O 121.595 0.712 . . . . 1.34 109.854 177.662 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.467 ' HB2' ' HB2' ' A' ' 39' ' ' ASP . 47.4 t -85.28 -39.35 17.83 Favored 'General case' 0 CA--C 1.554 1.121 0 C-N-CA 124.456 1.102 . . . . 1.26 111.439 179.733 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.422 ' HB3' ' O40' ' A' ' 101' ' ' SXO . 30.2 ttp -57.89 -22.84 50.4 Favored 'General case' 0 N--CA 1.496 1.834 0 CA-C-O 121.173 0.511 . . . . 0.97 111.955 -176.406 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 61.9 t -51.41 -36.27 17.33 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.693 0 C-N-CA 123.866 0.866 . . . . 0.65 111.331 179.181 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -72.52 -42.46 64.77 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.879 0.371 . . . . 2.06 111.596 178.674 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.727 HG23 ' HB ' ' A' ' 14' ' ' ILE . 5.2 p -74.11 -31.15 28.92 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.523 0 O-C-N 121.807 -0.558 . . . . 1.43 112.275 -178.381 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 13.4 p -67.87 -33.3 60.66 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.695 0 C-N-CA 119.995 -0.682 . . . . 0.53 111.831 -179.157 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 14.1 p -77.47 -25.19 14.88 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.655 0 CA-C-O 121.63 0.728 . . . . 0.65 110.188 178.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.35 -19.07 36.8 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.317 0.579 . . . . 0.32 110.567 178.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.12 -25.68 55.62 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 116.059 -0.519 . . . . 0.36 111.426 -179.287 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -60.05 -58.55 8.07 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.158 -0.474 . . . . 0.78 110.42 -179.227 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.416 ' HG3' ' N ' ' A' ' 53' ' ' ARG . 9.4 pt-20 -63.22 -33.37 75.35 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 121.8 0.809 . . . . 0.96 110.861 -179.709 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.416 ' N ' ' HG3' ' A' ' 52' ' ' GLU . 10.0 tpt180 -66.16 -43.72 86.17 Favored 'General case' 0 N--CA 1.435 -1.177 0 CA-C-N 114.911 -1.04 . . . . 3.85 111.479 -175.613 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -103.39 7.94 38.08 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 112.689 0.626 . . . . 0.4 112.689 -176.426 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 64.99 33.5 9.69 Favored 'General case' 0 N--CA 1.486 1.357 0 O-C-N 123.965 0.791 . . . . 1.95 110.558 178.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.72 HG22 ' H ' ' A' ' 57' ' ' LYS . 9.1 p -122.09 -169.88 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.295 -1.791 0 N-CA-C 108.581 -0.896 . . . . 1.37 108.581 -175.704 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.72 ' H ' HG22 ' A' ' 56' ' ' VAL . 25.6 tptp -150.94 129.61 12.3 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 104.396 -2.446 . . . . 3.34 104.396 176.54 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.469 HD13 ' H8A' ' A' ' 101' ' ' SXO . 39.0 mt -126.76 102.51 25.32 Favored Pre-proline 0 C--N 1.307 -1.273 0 CA-C-N 118.198 0.453 . . . . 0.57 110.265 -172.212 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.468 ' O ' HG23 ' A' ' 63' ' ' VAL . 19.9 Cg_exo -65.8 144.48 77.57 Favored 'Trans proline' 0 C--O 1.237 0.464 0 C-N-CA 122.894 2.396 . . . . 0.63 111.672 -179.363 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.433 ' O ' ' HB ' ' A' ' 63' ' ' VAL . 17.6 t70 -56.72 -39.44 73.93 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.326 0.65 . . . . 2.3 112.646 -176.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -63.5 -36.66 84.5 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 120.736 -0.386 . . . . 2.38 110.893 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.564 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 3.6 m-20 -74.34 -30.64 62.12 Favored 'General case' 0 C--O 1.215 -0.722 0 CA-C-N 116.521 -0.309 . . . . 1.52 110.61 177.476 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 59' ' ' PRO . 94.2 t -58.82 -58.06 8.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 108.235 -1.024 . . . . 0.79 108.235 173.487 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -61.22 -22.08 64.45 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 115.925 -0.58 . . . . 1.24 111.505 178.611 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.488 ' HB3' ' HA ' ' A' ' 62' ' ' ASP . 24.4 t-20 -79.91 -23.68 41.63 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 115.874 -0.603 . . . . 2.07 112.275 -179.777 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.564 ' HG ' ' O ' ' A' ' 62' ' ' ASP . 89.5 mt -85.52 -176.87 6.27 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.803 -0.443 . . . . 0.6 109.803 -179.156 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -145.86 -52.77 0.26 Allowed 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 113.051 0.759 . . . . 2.69 113.051 -179.438 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.495 ' HB ' ' O ' ' A' ' 30' ' ' LYS . 61.0 p -112.0 -171.82 1.92 Allowed 'General case' 0 C--N 1.319 -0.733 0 O-C-N 121.165 -0.959 . . . . 0.46 110.279 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.418 HG12 ' CZ ' ' A' ' 32' ' ' PHE . 23.7 m -81.4 -13.83 12.56 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.766 0 N-CA-C 109.29 -0.633 . . . . 0.66 109.29 176.042 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -74.77 -28.9 62.06 Favored Glycine 0 N--CA 1.441 -1.011 0 N-CA-C 109.29 -1.524 . . . . 0.46 109.29 175.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.472 ' HB3' HD22 ' A' ' 66' ' ' LEU . 9.4 m-20 -79.9 -37.0 35.63 Favored 'General case' 0 C--N 1.312 -1.024 0 N-CA-C 109.197 -0.668 . . . . 1.62 109.197 177.072 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.494 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -63.91 -53.5 49.4 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 114.817 -1.083 . . . . 0.51 110.084 -178.727 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.479 ' HA ' HG21 ' A' ' 7' ' ' ILE . 8.6 p -52.55 -47.04 67.03 Favored 'General case' 0 N--CA 1.449 -0.518 0 O-C-N 123.969 0.793 . . . . 0.46 111.802 -179.733 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -54.74 -54.04 47.18 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 124.101 0.876 . . . . 3.54 110.466 179.362 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -62.9 -45.5 92.23 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 123.523 0.514 . . . . 0.83 110.841 -176.177 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.434 HG23 HG11 ' A' ' 56' ' ' VAL . 91.9 mt -61.78 -60.89 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.039 0 CA-C-N 115.725 -0.671 . . . . 0.65 110.121 -179.683 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 60.9 tp -56.87 -31.4 64.78 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 123.839 0.855 . . . . 1.74 112.228 -177.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -76.89 -40.86 45.92 Favored 'General case' 0 C--N 1.307 -1.257 0 CA-C-O 121.039 0.447 . . . . 1.32 111.656 -179.168 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 37.3 m-70 -94.32 4.45 53.85 Favored 'General case' 0 C--N 1.314 -0.96 0 N-CA-C 113.389 0.885 . . . . 2.89 113.389 -173.692 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -104.24 165.02 11.32 Favored 'General case' 0 C--N 1.308 -1.204 0 CA-C-O 120.86 0.362 . . . . 2.23 111.076 -179.501 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.31 -1.146 0 N-CA-C 106.87 -1.53 . . . . 3.38 106.87 176.271 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 101' ' ' SXO . . . . . 0.536 ' H5 ' ' CE1' ' A' ' 32' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.503 -0.833 0 N-CA-C 109.748 -0.464 . . . . 2.17 109.748 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.556 ' HB1' ' HB2' ' A' ' 6' ' ' GLU . . . -102.77 154.91 18.71 Favored 'General case' 0 C--N 1.294 -1.819 0 N-CA-C 107.681 -1.229 . . . . 1.12 107.681 177.788 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.464 ' O ' HG12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -92.29 179.68 5.48 Favored 'General case' 0 C--N 1.297 -1.688 0 C-N-CA 118.531 -1.267 . . . . 1.57 109.929 -178.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.411 ' H ' HG22 ' A' ' 3' ' ' THR . 32.3 tt0 -46.01 -47.81 16.77 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.37 1.068 . . . . 1.76 112.991 -174.725 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.459 ' H ' ' CD ' ' A' ' 5' ' ' GLU . 1.3 mp0 -59.84 -53.24 60.18 Favored 'General case' 0 C--N 1.307 -1.254 0 C-N-CA 123.503 0.721 . . . . 3.05 110.131 -177.508 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.556 ' HB2' ' HB1' ' A' ' 2' ' ' ALA . 15.2 mm-40 -67.75 -30.83 70.39 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.341 -0.845 . . . . 2.53 110.888 -179.497 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.464 HG12 ' O ' ' A' ' 3' ' ' THR . 30.3 mm -65.36 -48.45 83.15 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.103 0 CA-C-N 116.074 -0.512 . . . . 0.45 109.641 177.434 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.563 ' HA ' HD12 ' A' ' 11' ' ' LEU . 82.5 t -58.42 -39.7 75.63 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 CA-C-O 120.822 0.344 . . . . 0.57 110.429 177.4 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.86 -37.12 75.79 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 115.962 -0.563 . . . . 0.48 110.564 176.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -75.9 -40.11 31.55 Favored Glycine 0 C--O 1.216 -1.003 0 N-CA-C 111.254 -0.739 . . . . 0.37 111.254 177.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.563 HD12 ' HA ' ' A' ' 8' ' ' VAL . 99.2 mt -55.43 -44.23 76.11 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.25 0.62 . . . . 0.33 110.634 179.142 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.3 -20.23 66.31 Favored 'General case' 0 N--CA 1.433 -1.275 0 CA-C-N 115.366 -0.834 . . . . 0.28 112.875 -178.347 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -62.74 -53.88 47.6 Favored 'General case' 0 CA--C 1.5 -0.959 0 N-CA-C 108.439 -0.949 . . . . 2.48 108.439 177.202 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.649 HG21 ' HA ' ' A' ' 46' ' ' VAL . 2.9 mp -69.51 -40.49 79.77 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.059 0 CA-C-N 115.506 -0.77 . . . . 0.44 109.105 -177.145 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.606 HG13 HG21 ' A' ' 38' ' ' VAL . 61.1 t -63.06 -36.13 74.59 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.336 0 C-N-CA 120.552 -0.459 . . . . 0.34 111.371 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.448 ' HA ' ' H ' ' A' ' 21' ' ' ILE . 24.7 t-20 -72.42 -39.13 68.12 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 122.046 -0.409 . . . . 0.95 110.309 175.458 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -63.08 -45.68 90.99 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.741 -0.663 . . . . 2.11 110.255 179.067 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 35.6 mm -80.59 -54.27 10.91 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.93 0 CA-C-N 115.726 -0.67 . . . . 0.71 112.672 -176.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -105.14 -35.94 7.43 Favored 'General case' 0 C--N 1.304 -1.371 0 C-N-CA 120.198 -0.601 . . . . 0.68 112.33 -172.577 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.74 65.46 1.05 Allowed Glycine 0 C--N 1.306 -1.138 0 C-N-CA 119.991 -1.1 . . . . 0.93 112.573 178.648 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.544 HG12 HG12 ' A' ' 15' ' ' VAL . 2.5 pp -104.08 159.11 30.38 Favored Pre-proline 0 C--N 1.305 -1.348 0 CA-C-N 115.682 -0.259 . . . . 0.6 110.619 178.48 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_exo -72.5 133.58 20.91 Favored 'Trans proline' 0 N--CA 1.446 -1.316 0 C-N-CA 121.746 1.631 . . . . 0.75 108.415 171.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 10.6 p -66.34 -21.63 28.96 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.149 0 CA-C-O 121.458 0.647 . . . . 1.48 112.248 -174.702 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.461 ' O ' ' HE2' ' A' ' 27' ' ' LYS . 0.8 OUTLIER -93.19 -4.44 52.06 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-N 116.136 -0.484 . . . . 2.03 111.266 179.13 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -82.8 -33.98 27.12 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-O 121.488 0.661 . . . . 1.07 109.218 -179.46 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 40.0 t -76.98 90.48 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 114.894 -1.048 . . . . 0.73 110.444 -178.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.461 ' HE2' ' O ' ' A' ' 24' ' ' GLU . 74.7 mmtt -113.08 179.89 3.83 Favored 'General case' 0 C--N 1.303 -1.425 0 CA-C-N 114.662 -1.154 . . . . 2.83 108.24 175.788 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.554 HD12 ' HA2' ' A' ' 70' ' ' GLY . 3.7 mm? -67.58 -17.07 64.5 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 115.483 1.66 . . . . 1.07 115.483 -172.774 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -91.08 13.6 16.42 Favored 'General case' 0 C--N 1.311 -1.1 0 CA-C-O 121.069 0.461 . . . . 2.47 111.414 178.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 29.5 mmmt -103.55 143.23 33.02 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 116.115 -0.493 . . . . 1.06 109.733 179.355 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.523 ' OG ' ' HB3' ' A' ' 34' ' ' ASP . 11.5 p -114.1 156.73 23.64 Favored 'General case' 0 C--N 1.286 -2.155 0 N-CA-C 107.122 -1.436 . . . . 1.31 107.122 172.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.643 ' HA ' HD12 ' A' ' 36' ' ' LEU . 96.3 m-85 -70.45 -36.23 73.82 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 114.206 1.187 . . . . 1.03 114.206 -168.169 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.588 HG21 ' HB3' ' A' ' 40' ' ' SER . 10.6 t -122.51 11.26 9.89 Favored 'General case' 0 N--CA 1.422 -1.844 0 C-N-CA 119.47 -0.892 . . . . 1.37 111.913 -176.295 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.523 ' HB3' ' OG ' ' A' ' 31' ' ' SER . 36.2 t70 -117.46 -50.52 2.54 Favored 'General case' 0 C--N 1.305 -1.357 0 C-N-CA 119.215 -0.994 . . . . 2.31 111.455 177.249 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.416 ' HB2' ' H ' ' A' ' 31' ' ' SER . 28.7 m-20 -90.14 -21.14 22.38 Favored 'General case' 0 CA--C 1.493 -1.215 0 C-N-CA 120.388 -0.525 . . . . 1.67 110.502 178.167 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.643 HD12 ' HA ' ' A' ' 32' ' ' PHE . 92.8 mt -99.06 171.51 7.99 Favored 'General case' 0 N--CA 1.428 -1.544 0 N-CA-C 109.15 -0.685 . . . . 0.69 109.15 178.38 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -99.33 12.13 37.13 Favored 'General case' 0 C--N 1.309 -1.157 0 CA-C-O 122.758 1.266 . . . . 2.15 109.299 -176.045 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.606 HG21 HG13 ' A' ' 15' ' ' VAL . 23.2 t -85.14 113.93 24.43 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.972 0 CA-C-N 114.266 -1.334 . . . . 2.23 108.797 -176.516 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.418 ' O ' ' HB2' ' A' ' 42' ' ' SER . 22.1 m-20 -62.01 144.17 55.53 Favored 'General case' 0 C--N 1.306 -1.305 0 N-CA-C 107.824 -1.176 . . . . 2.96 107.824 174.155 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.588 ' HB3' HG21 ' A' ' 33' ' ' THR . 26.4 p -62.79 -40.15 96.45 Favored 'General case' 0 C--N 1.285 -2.226 0 N-CA-C 112.633 0.605 . . . . 1.19 112.633 -175.421 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.0 mp -65.54 -19.95 66.13 Favored 'General case' 0 CA--C 1.552 1.035 0 CA-C-O 121.812 0.815 . . . . 1.34 110.17 177.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.418 ' HB2' ' O ' ' A' ' 39' ' ' ASP . 50.9 m -83.95 -32.1 25.23 Favored 'General case' 0 N--CA 1.439 -0.975 0 CA-C-N 115.607 -0.724 . . . . 1.26 110.465 176.746 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.457 ' CE ' ' H5 ' ' A' ' 101' ' ' SXO . 15.7 ttp -65.86 -21.25 66.45 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.374 0.607 . . . . 0.97 109.784 178.062 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.454 ' HA ' HG12 ' A' ' 47' ' ' VAL . 31.1 t -59.99 -23.51 27.18 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.233 0 CA-C-N 116.094 -0.503 . . . . 0.65 110.346 175.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 -80.19 -22.93 41.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.865 0.84 . . . . 2.06 109.321 176.228 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.649 ' HA ' HG21 ' A' ' 14' ' ' ILE . 98.2 t -80.62 -50.66 16.9 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.964 0 CA-C-N 114.842 -1.072 . . . . 1.43 109.658 -177.763 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.454 HG12 ' HA ' ' A' ' 44' ' ' VAL . 3.8 p -49.65 -50.16 18.17 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 N-CA-C 113.734 1.013 . . . . 0.53 113.734 -178.233 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -56.78 -51.11 71.38 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.309 0 N-CA-C 108.226 -1.028 . . . . 0.65 108.226 -179.436 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.474 ' O ' ' HG3' ' A' ' 53' ' ' ARG . . . -63.94 -29.45 70.62 Favored 'General case' 0 N--CA 1.423 -1.821 0 CA-C-N 113.623 -1.626 . . . . 0.32 111.426 -176.476 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.7 -39.53 66.92 Favored 'General case' 0 C--N 1.308 -1.235 0 CA-C-N 116.156 -0.474 . . . . 0.36 111.298 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -54.67 -48.19 72.67 Favored 'General case' 0 C--O 1.223 -0.292 0 O-C-N 123.348 0.405 . . . . 0.78 110.299 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -69.82 -43.84 71.17 Favored 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 112.555 0.576 . . . . 0.96 112.555 -178.437 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.474 ' HG3' ' O ' ' A' ' 49' ' ' ALA . 89.3 mtt180 -67.29 -37.99 84.3 Favored 'General case' 0 N--CA 1.462 0.165 0 C-N-CA 120.556 -0.458 . . . . 3.85 112.04 -176.102 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -95.24 0.56 54.05 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 112.191 0.441 . . . . 0.4 112.191 -177.634 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 61.32 36.92 17.42 Favored 'General case' 0 N--CA 1.486 1.357 0 CA-C-O 121.635 0.731 . . . . 1.95 110.729 -179.438 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.681 HG22 ' H ' ' A' ' 57' ' ' LYS . 8.7 p -122.49 -171.85 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.452 0 CA-C-N 115.583 -0.735 . . . . 1.37 109.487 -175.002 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.681 ' H ' HG22 ' A' ' 56' ' ' VAL . 68.5 mttm -138.18 131.31 30.15 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 106.141 -1.8 . . . . 3.34 106.141 175.769 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.585 HD13 ' H8A' ' A' ' 101' ' ' SXO . 52.7 mt -133.89 88.61 31.97 Favored Pre-proline 0 C--N 1.298 -1.664 0 N-CA-C 108.263 -1.014 . . . . 0.57 108.263 -178.728 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.414 ' O ' HG23 ' A' ' 63' ' ' VAL . 26.6 Cg_exo -65.43 143.47 76.21 Favored 'Trans proline' 0 N--CA 1.453 -0.866 0 C-N-CA 122.961 2.441 . . . . 0.63 112.137 -178.693 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -58.24 -24.27 58.71 Favored 'General case' 0 C--N 1.317 -0.814 0 C-N-CA 124.242 1.017 . . . . 2.3 113.36 -177.117 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -74.63 -41.48 60.32 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 108.825 -0.806 . . . . 2.38 108.825 177.003 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.495 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 22.8 m-20 -68.79 -33.46 73.91 Favored 'General case' 0 CA--C 1.498 -1.027 0 CA-C-N 115.929 -0.578 . . . . 1.52 110.642 177.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 59' ' ' PRO . 52.7 t -52.89 -54.48 16.33 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.525 0 O-C-N 124.06 0.85 . . . . 0.79 109.9 173.601 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 39.3 mtmm -67.04 -11.85 58.25 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 112.833 0.679 . . . . 1.24 112.833 -177.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -91.94 -20.29 21.55 Favored 'General case' 0 C--N 1.307 -1.254 0 CA-C-O 121.282 0.563 . . . . 2.07 109.685 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.564 HD13 ' HA ' ' A' ' 72' ' ' ALA . 89.0 mt -88.07 166.03 14.72 Favored 'General case' 0 N--CA 1.44 -0.97 0 N-CA-C 109.245 -0.65 . . . . 0.6 109.245 -178.424 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.4 ptpp? -137.43 -56.26 0.7 Allowed 'General case' 0 C--N 1.311 -1.107 0 N-CA-C 113.924 1.083 . . . . 2.69 113.924 -176.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.482 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 68.9 p -105.82 -179.87 4.07 Favored 'General case' 0 C--N 1.309 -1.174 0 O-C-N 121.435 -0.791 . . . . 0.46 109.974 -179.099 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.415 HG12 ' CZ ' ' A' ' 32' ' ' PHE . 19.6 m -77.24 -22.75 14.48 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.948 0 N-CA-C 109.444 -0.576 . . . . 0.66 109.444 176.399 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.554 ' HA2' HD12 ' A' ' 28' ' ' LEU . . . -76.17 -36.61 39.72 Favored Glycine 0 CA--C 1.496 -1.129 0 N-CA-C 109.793 -1.323 . . . . 0.46 109.793 177.543 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.438 ' OD2' ' HA ' ' A' ' 66' ' ' LEU . 21.5 t0 -72.82 -34.49 66.88 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-N 114.835 -0.683 . . . . 1.62 110.278 177.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.564 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -76.01 -37.93 57.88 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.912 -0.585 . . . . 0.51 111.856 -177.695 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.433 ' HA ' HD12 ' A' ' 76' ' ' ILE . 6.0 p -63.58 -24.55 67.85 Favored 'General case' 0 N--CA 1.44 -0.934 0 N-CA-C 113.808 1.04 . . . . 0.46 113.808 -177.371 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -69.98 -39.14 76.12 Favored 'General case' 0 C--O 1.211 -0.948 0 N-CA-C 110.121 -0.325 . . . . 3.54 110.121 178.61 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 78.4 t80 -68.08 -34.71 76.94 Favored 'General case' 0 C--O 1.25 1.121 0 CA-C-O 121.931 0.872 . . . . 0.83 109.943 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.433 HD12 ' HA ' ' A' ' 73' ' ' THR . 82.2 mt -68.3 -57.44 9.13 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.231 0 CA-C-N 114.977 -1.011 . . . . 0.65 108.855 177.678 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.515 ' HA ' ' CG ' ' A' ' 80' ' ' GLN . 51.7 tp -59.47 -24.42 63.55 Favored 'General case' 0 C--N 1.345 0.406 0 C-N-CA 123.739 0.816 . . . . 1.74 111.504 -178.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -60.14 -36.77 78.27 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 115.212 -0.904 . . . . 1.32 111.142 176.501 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.464 ' HB2' HG23 ' A' ' 56' ' ' VAL . 76.6 m80 -102.23 -62.56 1.25 Allowed 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 120.511 -0.475 . . . . 2.89 111.207 -175.164 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.515 ' CG ' ' HA ' ' A' ' 77' ' ' LEU . 9.7 mm-40 46.24 -174.45 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 116.262 1.949 . . . . 2.23 116.262 -179.709 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.431 -1.379 0 CA-C-N 114.398 -1.274 . . . . 3.38 107.658 175.262 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 101' ' ' SXO . . . . . 0.585 ' H8A' HD13 ' A' ' 58' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.508 -0.65 0 N-CA-C 108.988 -0.745 . . . . 2.17 108.988 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -104.89 140.93 37.41 Favored 'General case' 0 CA--C 1.489 -1.401 0 CA-C-O 121.553 0.692 . . . . 1.12 110.01 179.331 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.526 ' O ' HG12 ' A' ' 7' ' ' ILE . 25.0 p -105.12 -174.96 2.66 Favored 'General case' 0 N--CA 1.409 -2.476 0 CA-C-N 114.859 -1.064 . . . . 1.57 112.03 -178.325 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -46.46 -46.42 18.86 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 115.598 1.703 . . . . 1.76 115.598 -171.101 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -74.91 -25.55 59.0 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-O 121.649 0.738 . . . . 3.05 110.624 -174.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -83.82 -36.79 23.24 Favored 'General case' 0 C--N 1.299 -1.623 0 N-CA-C 108.532 -0.914 . . . . 2.53 108.532 178.721 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.526 HG12 ' O ' ' A' ' 3' ' ' THR . 35.8 mm -65.73 -59.6 3.82 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.98 0 CA-C-N 114.513 -1.222 . . . . 0.45 111.156 -179.304 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 89.2 t -55.16 -48.0 76.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 O-C-N 122.992 0.182 . . . . 0.57 110.739 -177.463 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.468 ' O ' ' HG2' ' A' ' 13' ' ' GLU . . . -55.13 -45.6 75.6 Favored 'General case' 0 C--O 1.22 -0.474 0 O-C-N 123.52 0.512 . . . . 0.48 110.969 177.09 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.425 ' HA3' ' CZ ' ' A' ' 54' ' ' PHE . . . -66.21 -40.3 94.8 Favored Glycine 0 C--O 1.221 -0.718 0 N-CA-C 111.058 -0.817 . . . . 0.37 111.058 -179.247 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 97.2 mt -58.34 -47.27 84.29 Favored 'General case' 0 CA--C 1.511 -0.527 0 N-CA-C 109.547 -0.538 . . . . 0.33 109.547 176.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.79 -25.63 64.8 Favored 'General case' 0 C--O 1.201 -1.474 0 CA-C-N 115.474 -0.785 . . . . 0.28 111.897 -179.541 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.468 ' HG2' ' O ' ' A' ' 9' ' ' ALA . 33.8 mm-40 -59.8 -49.64 76.91 Favored 'General case' 0 C--O 1.239 0.537 0 N-CA-C 109.802 -0.444 . . . . 2.48 109.802 174.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.806 ' HB ' HG23 ' A' ' 46' ' ' VAL . 5.2 mp -73.51 -45.73 50.75 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.977 0 C-N-CA 119.963 -0.695 . . . . 0.44 109.752 177.797 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.779 HG23 HG21 ' A' ' 46' ' ' VAL . 91.1 t -60.92 -23.71 30.43 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.159 0 N-CA-C 112.554 0.575 . . . . 0.34 112.554 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -65.59 -38.48 89.6 Favored 'General case' 0 C--N 1.313 -0.996 0 O-C-N 121.463 -0.773 . . . . 0.95 110.718 176.069 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -76.61 -32.61 58.17 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-O 121.232 0.539 . . . . 2.11 109.84 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 65.8 mt -81.63 -53.49 11.98 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.812 0 CA-C-N 115.565 -0.743 . . . . 0.71 112.408 -177.14 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -100.8 -30.52 11.65 Favored 'General case' 0 C--N 1.314 -0.962 0 N-CA-C 112.32 0.489 . . . . 0.68 112.32 -175.158 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.71 47.07 5.5 Favored Glycine 0 C--N 1.31 -0.893 0 C-N-CA 120.372 -0.918 . . . . 0.93 111.219 -177.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.408 ' CG1' HG12 ' A' ' 15' ' ' VAL . 2.3 pp -106.01 157.46 34.73 Favored Pre-proline 0 C--N 1.31 -1.139 0 N-CA-C 111.612 0.227 . . . . 0.6 111.612 -179.622 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_exo -75.62 135.37 17.88 Favored 'Trans proline' 0 N--CA 1.449 -1.14 0 C-N-CA 122.641 2.227 . . . . 0.75 109.431 174.009 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 32.8 m -68.13 -20.36 25.62 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.175 0 N-CA-C 112.425 0.528 . . . . 1.48 112.425 -176.688 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -94.74 -5.14 46.02 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-O 120.92 0.39 . . . . 2.03 110.926 178.657 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 39.2 t70 -82.49 -34.52 27.99 Favored 'General case' 0 CA--C 1.496 -1.108 0 N-CA-C 108.296 -1.002 . . . . 1.07 108.296 178.572 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.704 ' HA ' ' HG3' ' A' ' 30' ' ' LYS . 41.8 t -79.17 88.75 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.338 0 CA-C-N 114.275 -1.33 . . . . 0.73 109.535 178.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -99.29 -178.37 3.89 Favored 'General case' 0 C--N 1.304 -1.407 0 N-CA-C 107.218 -1.401 . . . . 2.83 107.218 172.131 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.613 ' HA ' HG23 ' A' ' 69' ' ' VAL . 5.6 mp -64.88 -20.88 66.66 Favored 'General case' 0 C--N 1.312 -1.062 0 N-CA-C 115.35 1.611 . . . . 1.07 115.35 -169.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -85.96 -0.92 56.68 Favored 'General case' 0 C--N 1.311 -1.088 0 C-N-CA 120.486 -0.486 . . . . 2.47 111.398 -179.631 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.704 ' HG3' ' HA ' ' A' ' 26' ' ' VAL . 28.4 mmtm -80.45 132.08 35.67 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 112.16 0.43 . . . . 1.06 112.16 -179.077 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.474 ' HB2' HG22 ' A' ' 68' ' ' THR . 30.7 t -111.12 149.45 30.83 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 108.088 -1.078 . . . . 1.31 108.088 173.817 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.446 ' O ' ' HB2' ' A' ' 36' ' ' LEU . 97.8 m-85 -64.73 -54.59 29.12 Favored 'General case' 0 C--O 1.22 -0.464 0 N-CA-C 113.493 0.923 . . . . 1.03 113.493 -169.62 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.657 HG21 ' HB3' ' A' ' 40' ' ' SER . 8.0 t -128.27 71.99 1.41 Allowed 'General case' 0 C--N 1.29 -1.983 0 CA-C-O 122.958 1.361 . . . . 1.37 109.3 178.198 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -170.19 -42.93 0.02 OUTLIER 'General case' 0 C--N 1.31 -1.15 0 CA-C-N 112.958 -1.928 . . . . 2.31 107.543 -176.118 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -107.89 -44.87 4.11 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 107.874 -1.158 . . . . 1.67 107.874 176.082 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.66 HD21 ' HD2' ' A' ' 30' ' ' LYS . 79.0 mt -90.7 174.61 7.39 Favored 'General case' 0 N--CA 1.443 -0.822 0 CA-C-N 114.707 -1.133 . . . . 0.69 110.202 178.845 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -109.04 29.26 7.66 Favored 'General case' 0 C--N 1.315 -0.928 0 C-N-CA 123.786 0.834 . . . . 2.15 109.599 -178.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.464 ' O ' ' HB ' ' A' ' 33' ' ' THR . 47.1 t -77.93 118.1 24.31 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.118 0 CA-C-N 115.115 -0.948 . . . . 2.23 109.038 -178.659 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.428 ' HB2' ' HB2' ' A' ' 42' ' ' SER . 9.2 m-20 -52.66 130.85 33.59 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 108.86 -0.793 . . . . 2.96 108.86 175.846 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.657 ' HB3' HG21 ' A' ' 33' ' ' THR . 70.3 p -66.66 -49.49 65.99 Favored 'General case' 0 C--N 1.299 -1.626 0 CA-C-N 116.369 -0.378 . . . . 1.19 111.735 -173.108 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.7 mp -60.67 -26.43 67.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.685 0.755 . . . . 1.34 110.199 178.11 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.428 ' HB2' ' HB2' ' A' ' 39' ' ' ASP . 32.4 m -82.9 -24.32 33.18 Favored 'General case' 0 N--CA 1.432 -1.374 0 CA-C-N 115.558 -0.746 . . . . 1.26 110.892 179.455 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.492 ' O ' HG12 ' A' ' 46' ' ' VAL . 12.5 tmm? -70.85 -25.56 62.88 Favored 'General case' 0 C--O 1.215 -0.738 0 CA-C-O 122.142 0.973 . . . . 0.97 108.444 177.325 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.448 ' HA ' HG12 ' A' ' 47' ' ' VAL . 33.2 t -61.61 -27.92 43.06 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.739 0 CA-C-O 122.067 0.937 . . . . 0.65 108.792 175.839 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -80.09 -20.41 45.16 Favored 'General case' 0 N--CA 1.424 -1.728 0 CA-C-N 114.668 -1.151 . . . . 2.06 111.314 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.806 HG23 ' HB ' ' A' ' 14' ' ' ILE . 12.6 p -87.95 -35.64 8.43 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.05 0 C-N-CA 119.825 -0.75 . . . . 1.43 110.053 175.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.534 HG21 HG22 ' A' ' 63' ' ' VAL . 12.9 p -66.18 -40.7 87.71 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 C-N-CA 119.872 -0.731 . . . . 0.53 111.36 179.568 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 11.9 p -65.58 -34.53 71.04 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 CA-C-O 121.353 0.596 . . . . 0.65 110.036 177.098 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -75.28 -26.86 59.1 Favored 'General case' 0 C--O 1.21 -1.004 0 CA-C-N 115.982 -0.554 . . . . 0.32 110.335 178.577 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.38 -34.29 70.28 Favored 'General case' 0 C--N 1.308 -1.225 0 CA-C-N 116.57 -0.286 . . . . 0.36 110.323 179.315 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.588 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 39.8 mt-10 -59.1 -41.36 87.94 Favored 'General case' 0 C--O 1.217 -0.646 0 O-C-N 123.607 0.567 . . . . 0.78 110.69 179.011 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -83.75 -35.78 24.11 Favored 'General case' 0 C--N 1.307 -1.244 0 CA-C-N 116.16 -0.473 . . . . 0.96 111.839 178.512 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.5 tpm_? -67.99 -49.24 62.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.165 0.507 . . . . 3.85 111.269 -177.009 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.515 ' HB2' HG12 ' A' ' 56' ' ' VAL . 51.5 m-85 -97.66 -5.39 35.45 Favored 'General case' 0 C--N 1.306 -1.32 0 CA-C-N 115.95 -0.568 . . . . 0.4 111.165 -175.741 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.451 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 30.7 t70 76.57 -12.45 1.04 Allowed 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 124.631 1.172 . . . . 1.95 112.175 178.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.664 HG11 HG23 ' A' ' 76' ' ' ILE . 6.4 p -83.07 110.76 18.44 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.258 0 CA-C-O 121.837 0.827 . . . . 1.37 110.514 178.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 33.5 mtmm -75.27 129.21 37.05 Favored 'General case' 0 C--N 1.289 -2.034 0 CA-C-N 115.316 -0.856 . . . . 3.34 109.356 179.089 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.446 ' H ' ' HG2' ' A' ' 51' ' ' GLU . 46.0 mt -122.31 103.77 38.37 Favored Pre-proline 0 C--N 1.304 -1.373 0 N-CA-C 108.868 -0.79 . . . . 0.57 108.868 -172.405 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.507 ' O ' HG23 ' A' ' 63' ' ' VAL . 27.6 Cg_exo -65.87 152.45 81.45 Favored 'Trans proline' 0 CA--C 1.534 0.499 0 C-N-CA 123.801 3.001 . . . . 0.63 113.341 -178.733 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -52.66 -44.83 66.43 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 125.257 1.423 . . . . 2.3 111.417 -179.692 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -63.69 -25.3 68.14 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.081 -0.963 . . . . 2.38 111.806 179.556 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.427 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 54.0 m-20 -86.51 -37.32 18.34 Favored 'General case' 0 CA--C 1.503 -0.864 0 O-C-N 122.252 -0.28 . . . . 1.52 111.23 178.337 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.534 HG22 HG21 ' A' ' 47' ' ' VAL . 64.6 t -54.44 -55.24 15.96 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 123.111 0.564 . . . . 0.79 109.535 177.559 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -66.23 -12.06 53.85 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.408 -0.815 . . . . 1.24 112.347 -178.172 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -95.81 -3.54 45.44 Favored 'General case' 0 C--N 1.308 -1.199 0 CA-C-O 121.113 0.482 . . . . 2.07 110.092 -175.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.486 HD22 ' HB3' ' A' ' 71' ' ' ASP . 78.4 mt -106.95 175.74 5.4 Favored 'General case' 0 C--N 1.313 -1.009 0 C-N-CA 120.399 -0.52 . . . . 0.6 110.398 -178.806 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 47.6 pttt -139.97 -59.6 0.55 Allowed 'General case' 0 N--CA 1.438 -1.053 0 N-CA-C 113.262 0.838 . . . . 2.69 113.262 178.439 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.474 HG22 ' HB2' ' A' ' 31' ' ' SER . 68.3 p -98.97 -179.26 4.21 Favored 'General case' 0 C--N 1.309 -1.173 0 O-C-N 121.457 -0.777 . . . . 0.46 110.86 -179.42 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.613 HG23 ' HA ' ' A' ' 28' ' ' LEU . 35.7 m -79.48 -13.11 13.31 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.669 0 CA-C-O 121.395 0.617 . . . . 0.66 109.455 173.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -75.64 -25.83 66.66 Favored Glycine 0 N--CA 1.435 -1.413 0 N-CA-C 109.087 -1.605 . . . . 0.46 109.087 172.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.743 ' HA ' ' HE2' ' A' ' 74' ' ' LYS . 18.8 m-20 -80.67 -34.95 34.37 Favored 'General case' 0 CA--C 1.505 -0.755 0 N-CA-C 109.628 -0.508 . . . . 1.62 109.628 174.602 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.476 ' HB1' ' H8B' ' A' ' 101' ' ' SXO . . . -63.18 -53.24 56.27 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 115.238 -0.892 . . . . 0.51 110.063 -179.567 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.5 p -57.0 -51.0 70.99 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 115.711 -0.677 . . . . 0.46 110.606 177.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.743 ' HE2' ' HA ' ' A' ' 71' ' ' ASP . 37.6 ttpt -49.06 -42.74 39.67 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 124.432 1.093 . . . . 3.54 111.803 177.639 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -73.05 -50.17 24.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.091 0.472 . . . . 0.83 110.742 178.371 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.664 HG23 HG11 ' A' ' 56' ' ' VAL . 56.2 mt -53.9 -57.71 5.03 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.226 0 CA-C-N 115.456 -0.793 . . . . 0.65 112.168 -178.623 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 10.9 mp -58.84 -21.78 57.49 Favored 'General case' 0 C--N 1.317 -0.832 0 C-N-CA 123.641 0.776 . . . . 1.74 112.272 179.358 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -81.62 -45.7 15.43 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-O 121.594 0.711 . . . . 1.32 110.041 177.624 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 12.5 t-80 -76.76 -60.45 2.35 Favored 'General case' 0 C--N 1.31 -1.151 0 CA-C-N 114.659 -1.155 . . . . 2.89 110.661 -174.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.438 ' HA ' ' OE1' ' A' ' 80' ' ' GLN . 14.1 mm-40 49.8 105.43 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.565 1.546 . . . . 2.23 113.209 -175.483 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.451 ' HA ' ' O ' ' A' ' 55' ' ' ASP . . . . . . . . 0 C--O 1.254 1.307 0 C-N-CA 124.608 1.163 . . . . 3.38 110.844 -176.546 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' SXO . . . . . 0.476 ' H8B' ' HB1' ' A' ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.225 0 CA-C-O 120.499 0.19 . . . . 2.17 111.008 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -81.04 140.34 35.2 Favored 'General case' 0 N--CA 1.445 -0.704 0 N-CA-C 106.479 -1.675 . . . . 1.12 106.479 174.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.569 HG22 ' H ' ' A' ' 4' ' ' GLN . 1.2 m -97.09 172.86 7.57 Favored 'General case' 0 C--N 1.295 -1.767 0 C-N-CA 119.031 -1.068 . . . . 1.57 112.771 -171.447 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.569 ' H ' HG22 ' A' ' 3' ' ' THR . 62.2 tt0 -40.01 -56.31 1.87 Allowed 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 126.452 1.901 . . . . 1.76 115.345 -170.3 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -66.23 -37.74 86.25 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 118.816 0.734 . . . . 3.05 111.438 -177.179 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -74.51 -27.52 60.58 Favored 'General case' 0 N--CA 1.438 -1.05 0 N-CA-C 109.077 -0.712 . . . . 2.53 109.077 -178.304 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.483 HG12 ' O ' ' A' ' 3' ' ' THR . 37.0 mm -68.22 -48.8 72.05 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.105 0 N-CA-C 108.594 -0.891 . . . . 0.45 108.594 173.577 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.472 ' HA ' HD12 ' A' ' 11' ' ' LEU . 88.8 t -53.19 -46.87 56.56 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 CA-C-N 115.881 -0.599 . . . . 0.57 110.233 177.323 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.554 ' O ' ' HG3' ' A' ' 13' ' ' GLU . . . -53.31 -46.6 69.46 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 123.852 0.72 . . . . 0.48 110.807 177.489 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.8 -39.95 93.63 Favored Glycine 0 N--CA 1.444 -0.828 0 N-CA-C 111.529 -0.628 . . . . 0.37 111.529 -179.431 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.472 HD12 ' HA ' ' A' ' 8' ' ' VAL . 91.0 mt -57.86 -51.66 68.69 Favored 'General case' 0 C--O 1.243 0.744 0 C-N-CA 123.257 0.623 . . . . 0.33 111.018 178.642 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.33 -22.35 66.92 Favored 'General case' 0 N--CA 1.443 -0.803 0 CA-C-N 115.371 -0.831 . . . . 0.28 112.797 -176.146 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.554 ' HG3' ' O ' ' A' ' 9' ' ' ALA . 42.7 mt-10 -62.78 -49.98 72.83 Favored 'General case' 0 C--O 1.243 0.761 0 CA-C-O 120.737 0.303 . . . . 2.48 110.523 178.102 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.562 HG21 ' HA ' ' A' ' 46' ' ' VAL . 3.6 mp -71.39 -35.4 57.09 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 N-CA-C 109.281 -0.637 . . . . 0.44 109.281 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 11' ' ' LEU . 21.5 t -69.42 -26.46 31.38 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.213 0 C-N-CA 120.215 -0.594 . . . . 0.34 110.946 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.478 ' O ' ' HA2' ' A' ' 20' ' ' GLY . 24.8 t-20 -74.24 -28.23 61.14 Favored 'General case' 0 C--O 1.214 -0.794 0 O-C-N 121.785 -0.572 . . . . 0.95 110.26 175.685 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -77.46 -52.36 9.23 Favored 'General case' 0 C--N 1.304 -1.386 0 CA-C-O 121.442 0.639 . . . . 2.11 109.741 178.224 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.613 HD12 HG22 ' A' ' 46' ' ' VAL . 48.3 mt -73.02 -52.41 22.32 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 CA-C-N 115.533 -0.758 . . . . 0.71 112.637 -176.46 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -97.25 -41.86 8.08 Favored 'General case' 0 C--N 1.31 -1.144 0 CA-C-O 120.999 0.428 . . . . 0.68 111.095 -177.437 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.478 ' HA2' ' O ' ' A' ' 16' ' ' ASN . . . 93.88 43.28 3.9 Favored Glycine 0 C--N 1.309 -0.961 0 C-N-CA 120.155 -1.022 . . . . 0.93 111.821 -179.081 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 2.4 pp -86.55 159.63 52.36 Favored Pre-proline 0 C--N 1.307 -1.251 0 N-CA-C 111.559 0.207 . . . . 0.6 111.559 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -70.4 133.58 24.72 Favored 'Trans proline' 0 N--CA 1.446 -1.306 0 C-N-CA 121.922 1.748 . . . . 0.75 108.6 171.397 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.9 m -66.36 -26.5 37.96 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.269 0 C-N-CA 120.43 -0.508 . . . . 1.48 112.271 -177.05 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -83.39 -7.67 59.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.838 0.351 . . . . 2.03 110.88 178.091 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.429 ' O ' ' HE3' ' A' ' 30' ' ' LYS . 25.9 t70 -78.11 -39.71 40.47 Favored 'General case' 0 CA--C 1.501 -0.917 0 N-CA-C 109.346 -0.612 . . . . 1.07 109.346 -177.757 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 52.6 t -71.01 91.34 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.036 0 CA-C-N 114.658 -1.155 . . . . 0.73 110.793 -178.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -113.77 169.83 8.7 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 107.708 -1.219 . . . . 2.83 107.708 173.683 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.411 ' HA ' HG23 ' A' ' 69' ' ' VAL . 55.3 mt -52.04 -31.12 28.58 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 114.733 1.382 . . . . 1.07 114.733 -170.351 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -79.24 -5.1 53.58 Favored 'General case' 0 C--N 1.312 -1.032 0 N-CA-C 112.708 0.633 . . . . 2.47 112.708 -179.213 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.568 ' HB3' ' HG ' ' A' ' 36' ' ' LEU . 73.8 mmtt -87.17 122.22 30.68 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 120.768 0.318 . . . . 1.06 111.387 -178.04 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.672 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 24.1 t -96.22 147.83 23.36 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 107.68 -1.23 . . . . 1.31 107.68 171.768 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.532 ' CZ ' HG12 ' A' ' 69' ' ' VAL . 91.9 m-85 -59.01 -36.96 75.81 Favored 'General case' 0 CA--C 1.513 -0.457 0 N-CA-C 113.316 0.858 . . . . 1.03 113.316 -170.403 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.8 t -136.63 76.2 1.58 Allowed 'General case' 0 N--CA 1.42 -1.929 0 CA-C-O 122.671 1.224 . . . . 1.37 110.999 177.394 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -173.54 -54.14 0.02 OUTLIER 'General case' 0 CA--C 1.488 -1.438 0 CA-C-N 113.252 -1.795 . . . . 2.31 106.508 175.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -95.97 -47.39 6.13 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 114.537 -1.21 . . . . 1.67 108.168 176.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.568 ' HG ' ' HB3' ' A' ' 30' ' ' LYS . 76.6 mt -77.7 156.29 30.76 Favored 'General case' 0 CA--C 1.494 -1.186 0 CA-C-N 115.562 -0.744 . . . . 0.69 110.287 -179.593 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -102.92 71.75 1.16 Allowed 'General case' 0 C--N 1.297 -1.694 0 CA-C-O 122.402 1.096 . . . . 2.15 109.315 -174.184 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 45.7 t -126.91 145.07 35.12 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.701 0 N-CA-C 105.409 -2.071 . . . . 2.23 105.409 175.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -59.65 -77.55 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 118.292 0.496 . . . . 2.96 110.37 -179.63 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 97.0 p -179.17 -72.83 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.329 0.652 . . . . 1.19 111.843 169.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.705 ' HA ' ' H37' ' A' ' 101' ' ' SXO . 9.2 mp -58.64 -23.68 59.6 Favored 'General case' 0 N--CA 1.489 1.475 0 CA-C-O 121.993 0.902 . . . . 1.34 111.374 -179.142 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.0 m -63.75 -23.81 67.51 Favored 'General case' 0 C--N 1.295 -1.772 0 CA-C-N 115.273 -0.876 . . . . 1.26 111.75 178.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.423 ' O ' ' HB ' ' A' ' 46' ' ' VAL . 11.2 tmm? -70.17 -21.97 63.0 Favored 'General case' 0 C--O 1.21 -1.004 0 N-CA-C 109.056 -0.72 . . . . 0.97 109.056 178.637 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.551 ' HA ' HG12 ' A' ' 47' ' ' VAL . 31.3 t -64.21 -23.68 33.95 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.833 0 CA-C-O 121.581 0.705 . . . . 0.65 110.428 178.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.3 mm-40 -79.0 -21.53 46.87 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 121.56 0.695 . . . . 2.06 109.459 175.588 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.613 HG22 HD12 ' A' ' 18' ' ' ILE . 91.6 t -77.74 -63.23 1.13 Allowed 'Isoleucine or valine' 0 C--O 1.213 -0.854 0 N-CA-C 108.139 -1.06 . . . . 1.43 108.139 177.249 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.551 HG12 ' HA ' ' A' ' 44' ' ' VAL . 13.8 p -50.82 -39.43 18.68 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.79 0 N-CA-C 114.127 1.158 . . . . 0.53 114.127 -174.724 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 14.5 p -66.53 -33.16 61.6 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.957 0 CA-C-O 121.52 0.676 . . . . 0.65 110.737 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -86.25 -16.25 38.24 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.6 -0.727 . . . . 0.32 109.736 178.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -81.37 -53.44 6.32 Favored 'General case' 0 CA--C 1.493 -1.235 0 CA-C-N 115.14 -0.936 . . . . 0.36 110.837 -179.469 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.452 ' OE1' ' HD2' ' A' ' 57' ' ' LYS . 17.2 pt-20 -55.33 -45.9 76.36 Favored 'General case' 0 C--N 1.315 -0.927 0 O-C-N 123.773 0.671 . . . . 0.78 111.144 -176.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -64.7 -38.9 92.55 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-O 120.776 0.322 . . . . 0.96 111.161 178.047 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.461 ' HA ' ' HE ' ' A' ' 53' ' ' ARG . 1.2 tpm_? -62.95 -41.68 99.58 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 123.483 0.713 . . . . 3.85 110.52 -178.824 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -90.56 9.58 28.91 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.899 -0.591 . . . . 0.4 112.354 -176.654 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 62.7 29.66 16.81 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 123.543 0.737 . . . . 1.95 111.148 178.438 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.529 HG22 ' H ' ' A' ' 57' ' ' LYS . 9.1 p -120.52 -179.95 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.581 0 N-CA-C 109.171 -0.677 . . . . 1.37 109.171 -176.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.529 ' H ' HG22 ' A' ' 56' ' ' VAL . 31.1 tptt -134.03 119.81 19.44 Favored 'General case' 0 N--CA 1.427 -1.586 0 N-CA-C 107.718 -1.216 . . . . 3.34 107.718 174.601 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.599 HD13 ' H8A' ' A' ' 101' ' ' SXO . 58.5 mt -114.4 104.05 54.74 Favored Pre-proline 0 C--N 1.299 -1.604 0 N-CA-C 109.68 -0.489 . . . . 0.57 109.68 -178.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.529 ' O ' HG23 ' A' ' 63' ' ' VAL . 25.7 Cg_exo -63.72 148.29 92.17 Favored 'Trans proline' 0 CA--C 1.537 0.63 0 C-N-CA 123.394 2.73 . . . . 0.63 112.295 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -57.2 -39.96 76.48 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 124.289 1.036 . . . . 2.3 113.654 -172.272 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -81.03 -30.97 34.77 Favored 'General case' 0 C--N 1.306 -1.325 0 CA-C-O 121.414 0.626 . . . . 2.38 110.31 -178.286 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -65.49 -29.95 70.66 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.675 -0.693 . . . . 1.52 110.474 176.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 59' ' ' PRO . 92.2 t -58.8 -50.11 80.51 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.555 0 N-CA-C 109.046 -0.724 . . . . 0.79 109.046 173.837 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 60.6 mttm -64.55 -16.5 62.71 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.716 0.806 . . . . 1.24 111.491 -175.553 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 17.2 m-80 -85.89 -17.13 36.38 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.708 -0.678 . . . . 2.07 112.397 -178.525 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.559 HD13 ' HA ' ' A' ' 72' ' ' ALA . 81.6 mt -89.26 173.63 8.29 Favored 'General case' 0 C--N 1.313 -0.997 0 C-N-CA 120.337 -0.545 . . . . 0.6 110.054 -177.778 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.428 ' HB2' ' OD2' ' A' ' 71' ' ' ASP . 9.4 mtmp? -130.6 -72.84 0.55 Allowed 'General case' 0 C--N 1.311 -1.099 0 CA-C-O 121.019 0.438 . . . . 2.69 111.359 -178.425 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.672 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 45.3 p -97.21 -179.18 4.43 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 122.239 -0.288 . . . . 0.46 111.591 -176.14 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.532 HG12 ' CZ ' ' A' ' 32' ' ' PHE . 34.6 m -74.72 -17.52 16.45 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 N-CA-C 109.337 -0.616 . . . . 0.66 109.337 174.264 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -72.78 -27.42 69.09 Favored Glycine 0 N--CA 1.432 -1.633 0 N-CA-C 109.427 -1.469 . . . . 0.46 109.427 174.053 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.428 ' OD2' ' HB2' ' A' ' 67' ' ' LYS . 59.9 m-20 -83.69 -31.92 25.84 Favored 'General case' 0 C--N 1.311 -1.096 0 O-C-N 122.315 -0.52 . . . . 1.62 110.204 177.552 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.559 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -63.44 -52.47 61.36 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.352 -0.84 . . . . 0.51 109.365 178.17 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.529 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 16.5 p -54.09 -51.48 64.03 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-N 115.121 -0.945 . . . . 0.46 112.444 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.1 mtmm -56.69 -38.97 73.0 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 112.534 0.568 . . . . 3.54 112.534 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 56.6 t80 -70.04 -41.02 74.79 Favored 'General case' 0 C--O 1.242 0.681 0 CA-C-O 121.543 0.687 . . . . 0.83 109.961 -178.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.84 -59.13 4.76 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.049 0 CA-C-N 115.08 -0.963 . . . . 0.65 111.162 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' ' 73' ' ' THR . 3.3 pp -62.7 -22.96 66.89 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 112.993 0.738 . . . . 1.74 112.993 -177.598 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -71.7 -38.5 70.54 Favored 'General case' 0 C--N 1.306 -1.297 0 CA-C-O 121.326 0.584 . . . . 1.32 109.861 177.054 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 11.3 m170 -94.97 1.05 55.17 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.499 -0.773 . . . . 2.89 112.866 -177.126 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.504 HE21 ' HA ' ' A' ' 77' ' ' LEU . 38.6 mt-30 -82.95 -178.29 7.06 Favored 'General case' 0 C--N 1.314 -0.978 0 O-C-N 121.924 -0.485 . . . . 2.23 111.677 178.589 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.429 -1.482 0 N-CA-C 107.587 -1.264 . . . . 3.38 107.587 177.313 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 101' ' ' SXO . . . . . 0.705 ' H37' ' HA ' ' A' ' 41' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.34 0 CA-C-O 120.773 0.32 . . . . 2.17 110.238 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -154.1 154.7 34.09 Favored 'General case' 0 CA--C 1.473 -1.988 0 N-CA-C 108.343 -0.984 . . . . 1.12 108.343 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.589 ' O ' HG12 ' A' ' 7' ' ' ILE 0.285 7.4 p -95.18 176.82 6.08 Favored 'General case' 0 N--CA 1.403 -2.796 0 N-CA-C 113.518 0.933 . . . . 1.57 113.518 -177.056 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -55.9 -38.7 70.55 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 115.946 1.832 . . . . 1.76 115.946 -168.7 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -74.12 -33.33 63.54 Favored 'General case' 0 C--N 1.314 -0.935 0 N-CA-C 108.769 -0.826 . . . . 3.05 108.769 -178.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -72.18 -38.18 69.15 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.631 -0.713 . . . . 2.53 109.428 177.441 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.589 HG12 ' O ' ' A' ' 3' ' ' THR . 44.9 mm -60.46 -54.07 40.1 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.705 0 N-CA-C 109.099 -0.704 . . . . 0.45 109.099 177.721 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.601 HG21 HD13 ' A' ' 28' ' ' LEU . 86.6 t -57.26 -42.13 79.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 CA-C-N 116.4 -0.364 . . . . 0.57 111.18 179.392 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.39 -40.89 95.99 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.327 -0.397 . . . . 0.48 110.944 177.364 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.48 -38.31 90.68 Favored Glycine 0 C--O 1.216 -0.971 0 N-CA-C 110.881 -0.888 . . . . 0.37 110.881 178.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.586 HD12 ' HA ' ' A' ' 8' ' ' VAL . 94.4 mt -58.01 -43.74 86.86 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.356 0.598 . . . . 0.33 109.431 176.293 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.56 -25.91 67.64 Favored 'General case' 0 C--O 1.211 -0.952 0 CA-C-N 115.107 -0.951 . . . . 0.28 112.392 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -59.52 -48.74 80.5 Favored 'General case' 0 C--O 1.245 0.847 0 CA-C-O 121.565 0.697 . . . . 2.48 109.159 175.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.764 HD11 ' HG3' ' A' ' 53' ' ' ARG . 3.5 mp -74.38 -41.03 50.07 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.274 0 CA-C-N 115.334 -0.848 . . . . 0.44 109.771 179.517 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.563 HG11 HD13 ' A' ' 36' ' ' LEU . 53.6 t -63.78 -26.34 40.39 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.292 0 O-C-N 121.748 -0.595 . . . . 0.34 111.472 179.394 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -72.28 -31.27 65.6 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 121.253 0.549 . . . . 0.95 109.758 175.703 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -79.61 -35.91 38.81 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 115.457 -0.792 . . . . 2.11 110.39 -179.511 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 45.6 mm -82.99 -53.63 11.09 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.072 0 CA-C-N 115.645 -0.707 . . . . 0.71 111.473 -178.473 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -110.14 -45.15 3.63 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-O 120.706 0.289 . . . . 0.68 111.554 -175.609 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 102.6 87.17 1.99 Allowed Glycine 0 C--N 1.317 -0.522 0 C-N-CA 120.15 -1.024 . . . . 0.93 112.466 179.575 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.427 HD11 ' HB ' ' A' ' 15' ' ' VAL . 1.7 pp -136.79 154.77 76.62 Favored Pre-proline 0 C--N 1.303 -1.417 0 C-N-CA 123.031 0.532 . . . . 0.6 109.939 179.203 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -67.23 124.47 12.17 Favored 'Trans proline' 0 N--CA 1.446 -1.292 0 C-N-CA 121.921 1.747 . . . . 0.75 109.968 176.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 27.5 m -64.35 -8.6 4.97 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.03 0 N-CA-C 114.098 1.147 . . . . 1.48 114.098 -177.384 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.25 -17.42 19.84 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-O 121.115 0.483 . . . . 2.03 110.011 177.176 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -85.92 -28.86 24.05 Favored 'General case' 0 CA--C 1.497 -1.063 0 CA-C-O 121.621 0.724 . . . . 1.07 109.931 -172.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.921 ' HA ' ' HG3' ' A' ' 30' ' ' LYS . 48.6 t -77.66 89.33 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.361 0 N-CA-C 107.741 -1.207 . . . . 0.73 107.741 175.347 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -101.57 -178.29 3.68 Favored 'General case' 0 C--N 1.306 -1.31 0 CA-C-N 114.375 -1.284 . . . . 2.83 108.436 179.637 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.601 HD13 HG21 ' A' ' 8' ' ' VAL . 3.9 mm? -57.18 -26.37 60.51 Favored 'General case' 0 N--CA 1.482 1.127 0 N-CA-C 114.104 1.15 . . . . 1.07 114.104 -175.517 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -94.59 19.77 9.41 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 113.043 0.757 . . . . 2.47 113.043 -177.652 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.921 ' HG3' ' HA ' ' A' ' 26' ' ' VAL . 32.4 mmtm -89.4 167.67 12.83 Favored 'General case' 0 C--N 1.296 -1.718 0 CA-C-O 121.184 0.516 . . . . 1.06 110.289 175.008 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.546 ' OG ' ' HB2' ' A' ' 34' ' ' ASP . 12.6 p -146.25 168.43 21.08 Favored 'General case' 0 C--N 1.292 -1.918 0 N-CA-C 105.252 -2.129 . . . . 1.31 105.252 174.55 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.512 ' O ' ' HB2' ' A' ' 36' ' ' LEU . 94.5 m-85 -88.94 -38.92 14.12 Favored 'General case' 0 C--N 1.307 -1.28 0 CA-C-N 119.509 1.05 . . . . 1.03 112.557 -170.574 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.2 t -112.99 -7.69 13.7 Favored 'General case' 0 C--N 1.287 -2.115 0 C-N-CA 118.542 -1.263 . . . . 1.37 112.539 -177.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.546 ' HB2' ' OG ' ' A' ' 31' ' ' SER . 8.6 m-20 -95.95 -55.93 2.82 Favored 'General case' 0 C--N 1.29 -2.021 0 C-N-CA 119.485 -0.886 . . . . 2.31 109.056 -179.096 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -88.48 -37.61 15.65 Favored 'General case' 0 C--N 1.307 -1.24 0 CA-C-N 115.968 -0.56 . . . . 1.67 110.45 -179.581 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.563 HD13 HG11 ' A' ' 15' ' ' VAL . 78.0 mt -84.89 169.15 14.38 Favored 'General case' 0 CA--C 1.506 -0.728 0 C-N-CA 120.434 -0.506 . . . . 0.69 112.12 -177.258 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -92.77 17.3 10.64 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.43 -0.805 . . . . 2.15 110.696 -178.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.489 ' HB ' ' O ' ' A' ' 32' ' ' PHE . 59.4 t -82.05 123.2 37.89 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.43 0 N-CA-C 106.864 -1.532 . . . . 2.23 106.864 177.669 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -48.83 -69.32 0.12 Allowed 'General case' 0 CA--C 1.493 -1.223 0 O-C-N 124.173 0.921 . . . . 2.96 110.622 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 44.0 p 157.87 -51.05 0.0 OUTLIER 'General case' 0 C--O 1.217 -0.656 0 C-N-CA 127.143 2.177 . . . . 1.19 108.689 173.583 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.1 mp -59.62 -31.78 69.81 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-O 122.432 1.111 . . . . 1.34 108.638 178.057 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 36.9 t -68.02 -29.76 68.84 Favored 'General case' 0 CA--C 1.562 1.424 0 CA-C-N 113.979 -1.464 . . . . 1.26 112.214 176.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.421 ' O ' ' HG2' ' A' ' 43' ' ' MET . 27.4 ttp -68.46 -21.06 64.65 Favored 'General case' 0 N--CA 1.483 1.224 0 O-C-N 121.482 -0.761 . . . . 0.97 110.698 -176.591 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.502 ' HA ' HG12 ' A' ' 47' ' ' VAL . 36.5 t -58.53 -25.98 29.6 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.468 0 CA-C-N 115.959 -0.564 . . . . 0.65 111.404 -179.137 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -77.27 -28.03 53.32 Favored 'General case' 0 C--O 1.222 -0.342 0 CA-C-O 121.456 0.646 . . . . 2.06 110.248 175.004 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.606 ' HA ' HG21 ' A' ' 14' ' ' ILE . 57.8 t -73.66 -56.69 8.61 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.068 0 CA-C-N 115.4 -0.818 . . . . 1.43 109.444 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.502 HG12 ' HA ' ' A' ' 44' ' ' VAL . 12.3 p -56.87 -38.01 56.95 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.953 0 N-CA-C 112.743 0.646 . . . . 0.53 112.743 -176.824 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 9.5 p -69.93 -30.93 46.16 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 CA-C-O 121.142 0.496 . . . . 0.65 110.646 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.496 ' O ' ' HG2' ' A' ' 53' ' ' ARG . . . -79.56 -29.95 41.53 Favored 'General case' 0 C--O 1.212 -0.904 0 CA-C-O 121.41 0.624 . . . . 0.32 109.692 177.764 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.78 -35.11 79.53 Favored 'General case' 0 C--N 1.309 -1.177 0 O-C-N 122.113 -0.367 . . . . 0.36 111.424 179.691 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -55.66 -47.3 76.93 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-O 120.942 0.401 . . . . 0.78 111.088 178.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -75.54 -37.3 60.13 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 116.3 -0.409 . . . . 0.96 112.036 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.764 ' HG3' HD11 ' A' ' 14' ' ' ILE . 10.3 mmm180 -64.12 -44.54 91.92 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 112.759 0.652 . . . . 3.85 112.759 -176.722 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -99.76 6.75 45.43 Favored 'General case' 0 C--N 1.31 -1.144 0 N-CA-C 112.337 0.495 . . . . 0.4 112.337 -174.24 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 32.6 t70 57.28 63.81 1.78 Allowed 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 122.444 1.116 . . . . 1.95 109.768 -178.067 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.757 HG22 ' H ' ' A' ' 57' ' ' LYS . 9.3 p -145.64 -170.43 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.426 -1.632 0 CA-C-N 115.169 -0.923 . . . . 1.37 108.797 -175.704 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.757 ' H ' HG22 ' A' ' 56' ' ' VAL . 65.5 tttp -151.87 129.08 11.18 Favored 'General case' 0 C--N 1.297 -1.7 0 N-CA-C 105.794 -1.928 . . . . 3.34 105.794 179.041 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 59.2 mt -131.1 115.22 16.42 Favored Pre-proline 0 C--N 1.294 -1.816 0 N-CA-C 108.854 -0.795 . . . . 0.57 108.854 -175.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.568 ' HD3' ' OH ' ' A' ' 75' ' ' TYR . 7.5 Cg_exo -72.82 136.73 25.82 Favored 'Trans proline' 0 N--CA 1.445 -1.342 0 C-N-CA 122.326 2.017 . . . . 0.63 110.469 178.465 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -56.33 -28.74 59.92 Favored 'General case' 0 N--CA 1.482 1.173 0 CA-C-O 121.701 0.763 . . . . 2.3 110.745 178.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -59.51 -48.08 83.03 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.238 -0.892 . . . . 2.38 110.135 174.402 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -80.61 -20.08 44.03 Favored 'General case' 0 C--O 1.215 -0.741 0 CA-C-N 115.331 -0.85 . . . . 1.52 110.942 -173.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 59' ' ' PRO . 84.4 t -56.84 -43.29 79.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 N-CA-C 109.168 -0.678 . . . . 0.79 109.168 174.105 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 36.7 mtmm -75.36 -9.12 58.28 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.81 -0.632 . . . . 1.24 112.002 179.584 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -91.72 -29.21 16.95 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 109.482 -0.562 . . . . 2.07 109.482 178.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 91.5 mt -77.54 170.32 16.77 Favored 'General case' 0 C--O 1.24 0.605 0 CA-C-N 116.19 -0.459 . . . . 0.6 110.147 -179.667 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.0 pttp -139.72 -80.46 0.29 Allowed 'General case' 0 C--N 1.31 -1.14 0 N-CA-C 114.836 1.421 . . . . 2.69 114.836 -176.503 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.494 HG22 ' HB3' ' A' ' 31' ' ' SER . 69.1 p -90.75 -178.67 5.32 Favored 'General case' 0 C--N 1.306 -1.313 0 O-C-N 121.724 -0.61 . . . . 0.46 110.238 -176.797 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 34.2 m -81.09 -15.18 12.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 C-N-CA 120.202 -0.599 . . . . 0.66 109.598 176.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -85.76 -20.19 56.49 Favored Glycine 0 N--CA 1.444 -0.793 0 N-CA-C 109.604 -1.398 . . . . 0.46 109.604 176.159 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -83.51 -47.01 11.8 Favored 'General case' 0 C--N 1.306 -1.321 0 CA-C-N 114.795 -0.703 . . . . 1.62 109.356 175.27 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.12 -39.66 87.02 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.148 -0.933 . . . . 0.51 111.319 -178.341 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -55.72 -44.09 77.18 Favored 'General case' 0 C--O 1.216 -0.686 0 C-N-CA 122.713 0.405 . . . . 0.46 111.945 179.021 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -55.66 -37.0 67.68 Favored 'General case' 0 N--CA 1.451 -0.409 0 O-C-N 123.854 0.721 . . . . 3.54 111.044 -179.538 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.568 ' OH ' ' HD3' ' A' ' 59' ' ' PRO . 49.4 t80 -80.02 -50.78 9.89 Favored 'General case' 0 N--CA 1.446 -0.636 0 C-N-CA 120.704 -0.398 . . . . 0.83 111.19 177.432 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.409 HG23 HG11 ' A' ' 56' ' ' VAL . 90.7 mt -55.87 -57.57 7.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 C-N-CA 122.78 0.432 . . . . 0.65 110.75 -178.088 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 61.0 tp -57.98 -29.02 64.89 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 123.944 0.898 . . . . 1.74 112.045 -178.476 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -87.43 -36.01 17.96 Favored 'General case' 0 C--N 1.311 -1.078 0 C-N-CA 119.807 -0.757 . . . . 1.32 111.784 -177.063 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 17.8 t60 -86.36 -11.1 52.97 Favored 'General case' 0 C--N 1.308 -1.204 0 CA-C-N 116.196 -0.456 . . . . 2.89 111.117 -175.745 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -89.3 -175.41 4.75 Favored 'General case' 0 C--N 1.311 -1.069 0 O-C-N 121.764 -0.585 . . . . 2.23 110.775 -178.496 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.43 -1.467 0 N-CA-C 108.772 -0.825 . . . . 3.38 108.772 175.398 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 101' ' ' SXO . . . . . 0.507 HN36 H28A ' A' ' 101' ' ' SXO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.19 0 CA-C-O 120.381 0.134 . . . . 2.17 110.774 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.418 ' HB1' ' HB2' ' A' ' 6' ' ' GLU . . . -119.82 179.11 4.35 Favored 'General case' 0 C--N 1.314 -0.97 0 N-CA-C 108.365 -0.976 . . . . 1.12 108.365 179.184 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.59 ' O ' HG12 ' A' ' 7' ' ' ILE . 3.6 m -119.64 177.71 4.84 Favored 'General case' 0 C--N 1.304 -1.373 0 CA-C-O 117.945 -1.026 . . . . 1.57 108.762 178.753 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.544 ' H ' HG22 ' A' ' 3' ' ' THR . 8.0 tt0 -42.98 -56.49 3.28 Favored 'General case' 0 N--CA 1.485 1.287 0 N-CA-C 114.61 1.337 . . . . 1.76 114.61 -172.842 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -74.41 -30.22 61.84 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 109.668 -0.493 . . . . 3.05 109.668 -175.056 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.505 ' HB2' ' H ' ' A' ' 3' ' ' THR . 21.2 mm-40 -71.19 -33.06 69.6 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.718 -0.674 . . . . 2.53 109.324 178.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.59 HG12 ' O ' ' A' ' 3' ' ' THR . 41.3 mm -61.49 -54.53 33.71 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.915 0 N-CA-C 107.541 -1.281 . . . . 0.45 107.541 174.637 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 91.5 t -51.52 -53.86 14.49 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 CA-C-N 115.488 -0.778 . . . . 0.57 110.275 177.429 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.48 -38.48 80.93 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.78 -0.645 . . . . 0.48 111.852 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -68.67 -33.64 76.54 Favored Glycine 0 C--O 1.214 -1.154 0 N-CA-C 111.007 -0.837 . . . . 0.37 111.007 179.532 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.476 ' O ' HG23 ' A' ' 15' ' ' VAL . 90.4 mt -67.59 -55.07 14.83 Favored 'General case' 0 C--N 1.306 -1.287 0 N-CA-C 109.055 -0.72 . . . . 0.33 109.055 175.344 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.413 ' HA ' ' HB ' ' A' ' 15' ' ' VAL . . . -59.82 -30.57 69.03 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.841 -1.072 . . . . 0.28 113.752 -175.051 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.637 ' HG3' HD12 ' A' ' 14' ' ' ILE . 12.2 pt-20 -66.07 -41.2 91.04 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.196 -0.602 . . . . 2.48 111.03 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.637 HD12 ' HG3' ' A' ' 13' ' ' GLU . 4.7 mp -77.86 -32.04 17.46 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.082 0 C-N-CA 118.906 -1.118 . . . . 0.44 109.312 176.103 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 11' ' ' LEU . 75.7 t -62.76 -30.09 48.58 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.397 0 CA-C-O 121.752 0.787 . . . . 0.34 110.448 177.1 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -68.89 -28.67 66.89 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 115.597 -0.729 . . . . 0.95 110.341 175.687 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -82.24 -42.86 18.36 Favored 'General case' 0 C--N 1.309 -1.177 0 CA-C-N 116.239 -0.437 . . . . 2.11 109.846 178.034 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.698 HG13 ' HB ' ' A' ' 46' ' ' VAL . 48.3 mm -62.8 -53.06 51.75 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 CA-C-N 115.908 -0.587 . . . . 0.71 110.706 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.402 ' HB3' HG12 ' A' ' 38' ' ' VAL . . . -118.04 -58.4 2.01 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-O 120.888 0.375 . . . . 0.68 110.633 -178.379 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 120.12 65.0 0.27 Allowed Glycine 0 N--CA 1.438 -1.169 0 C-N-CA 119.77 -1.205 . . . . 0.93 112.847 -179.146 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.432 HG13 HG12 ' A' ' 15' ' ' VAL . 1.9 pp -102.87 156.79 34.86 Favored Pre-proline 0 C--N 1.307 -1.245 0 N-CA-C 109.75 -0.463 . . . . 0.6 109.75 174.296 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.653 ' HB2' ' HB2' ' A' ' 25' ' ' ASP . 24.2 Cg_exo -64.93 128.48 20.88 Favored 'Trans proline' 0 N--CA 1.443 -1.452 0 C-N-CA 121.473 1.448 . . . . 0.75 108.975 174.673 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 12.2 p -74.42 -9.22 12.69 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.062 0 CA-C-O 122.206 1.003 . . . . 1.48 110.369 -175.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -92.51 -18.42 23.19 Favored 'General case' 0 C--N 1.305 -1.329 0 CA-C-N 114.554 -1.203 . . . . 2.03 109.958 177.121 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.653 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 24.8 t70 -84.7 -23.82 29.21 Favored 'General case' 0 CA--C 1.505 -0.771 0 CA-C-N 115.822 -0.626 . . . . 1.07 111.38 -170.476 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.839 ' HA ' ' HG3' ' A' ' 30' ' ' LYS . 38.9 t -78.52 87.13 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.299 -1.6 0 CA-C-O 121.803 0.811 . . . . 0.73 110.716 -176.61 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 47.8 mtmt -94.37 177.92 5.79 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 107.625 -1.25 . . . . 2.83 107.625 173.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.461 ' HA ' HG23 ' A' ' 69' ' ' VAL . 3.6 mm? -65.49 -15.35 62.57 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 113.165 0.802 . . . . 1.07 113.165 -174.182 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -85.29 0.49 51.81 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 111.835 0.309 . . . . 2.47 111.835 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.839 ' HG3' ' HA ' ' A' ' 26' ' ' VAL . 74.7 mmtt -84.81 128.15 34.47 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-N 116.326 -0.397 . . . . 1.06 111.836 -179.144 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.662 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 1.8 p -112.27 154.33 25.8 Favored 'General case' 0 C--N 1.288 -2.09 0 N-CA-C 107.04 -1.467 . . . . 1.31 107.04 173.192 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.658 ' CE1' ' H5A' ' A' ' 101' ' ' SXO . 77.2 m-85 -74.35 -53.48 9.57 Favored 'General case' 0 CA--C 1.479 -1.758 0 N-CA-C 112.645 0.609 . . . . 1.03 112.645 -161.766 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.55 HG21 ' HB3' ' A' ' 40' ' ' SER . 6.1 p -118.42 30.52 7.17 Favored 'General case' 0 N--CA 1.402 -2.87 0 C-N-CA 118.913 -1.115 . . . . 1.37 110.942 176.305 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.541 ' HB2' ' OG ' ' A' ' 31' ' ' SER . 16.4 m-20 -118.82 -36.64 3.4 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 114.911 -1.04 . . . . 2.31 108.874 176.003 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -123.09 -25.04 4.59 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 120.383 -0.527 . . . . 1.67 111.733 -179.056 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.627 HD12 ' HA ' ' A' ' 32' ' ' PHE . 89.9 mt -84.16 -175.79 5.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.037 0.446 . . . . 0.69 111.951 -177.14 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -129.89 77.84 1.81 Allowed 'General case' 0 CA--C 1.483 -1.603 0 CA-C-N 115.683 -0.69 . . . . 2.15 109.46 -177.576 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.402 HG12 ' HB3' ' A' ' 19' ' ' ALA . 27.2 m -134.95 175.76 10.3 Favored 'Isoleucine or valine' 0 N--CA 1.414 -2.229 0 CA-C-N 114.926 -1.034 . . . . 2.23 110.621 178.436 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.416 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 11.5 t70 -94.13 132.76 38.33 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 105.711 -1.959 . . . . 2.96 105.711 170.828 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.55 ' HB3' HG21 ' A' ' 33' ' ' THR . 66.6 p -65.19 -52.59 53.94 Favored 'General case' 0 C--N 1.293 -1.851 0 N-CA-C 112.133 0.42 . . . . 1.19 112.133 -174.323 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.0 mp -61.05 -27.4 68.31 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.547 0.689 . . . . 1.34 110.439 -178.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.416 ' HB2' ' HB3' ' A' ' 39' ' ' ASP . 25.2 m -79.8 -13.39 59.46 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 115.897 -0.592 . . . . 1.26 112.363 176.813 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.43 ' HA ' HG12 ' A' ' 46' ' ' VAL . 36.6 ttp -68.93 -24.79 64.32 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 107.782 -1.192 . . . . 0.97 107.782 174.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.461 ' HA ' HG12 ' A' ' 47' ' ' VAL . 47.3 t -66.43 -23.53 31.72 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.235 0 CA-C-N 114.663 -1.153 . . . . 0.65 109.579 178.141 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -78.9 -35.45 43.56 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 115.466 -0.788 . . . . 2.06 110.113 178.619 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.698 ' HB ' HG13 ' A' ' 18' ' ' ILE . 7.6 p -78.13 -41.2 26.67 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.438 0 O-C-N 121.872 -0.517 . . . . 1.43 111.496 178.744 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.495 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 7.5 p -61.27 -39.43 82.58 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 C-N-CA 120.819 -0.352 . . . . 0.53 111.594 -178.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.421 ' HA ' ' OE2' ' A' ' 51' ' ' GLU . 12.7 p -67.72 -25.55 33.03 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.823 0 CA-C-O 121.397 0.618 . . . . 0.65 110.824 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.54 ' O ' ' HG2' ' A' ' 53' ' ' ARG . . . -86.17 -26.19 25.29 Favored 'General case' 0 C--O 1.217 -0.618 0 CA-C-O 121.405 0.621 . . . . 0.32 109.766 177.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.22 -34.1 70.5 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-N 116.086 -0.506 . . . . 0.36 110.531 179.563 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.538 ' HA ' HG23 ' A' ' 56' ' ' VAL . 42.3 mt-10 -55.61 -45.75 77.43 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 115.853 -0.612 . . . . 0.78 110.882 178.496 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -76.64 -18.88 58.34 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 116.004 -0.544 . . . . 0.96 111.909 -178.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.54 ' HG2' ' O ' ' A' ' 49' ' ' ALA . 80.3 mmt-85 -80.29 -51.61 8.69 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.806 0.336 . . . . 3.85 110.614 179.165 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.443 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 46.9 m-85 -89.25 7.93 32.94 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 113.102 0.779 . . . . 0.4 113.102 -172.736 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 65.11 30.09 11.72 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 121.325 0.583 . . . . 1.95 111.383 178.399 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.538 HG23 ' HA ' ' A' ' 51' ' ' GLU . 17.3 m -114.64 -173.0 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.286 -0.87 . . . . 1.37 111.774 -178.418 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -148.66 129.26 14.04 Favored 'General case' 0 N--CA 1.421 -1.922 0 N-CA-C 105.52 -2.03 . . . . 3.34 105.52 171.013 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 45.9 mt -123.43 103.3 35.4 Favored Pre-proline 0 C--N 1.288 -2.1 0 N-CA-C 109.169 -0.678 . . . . 0.57 109.169 -175.088 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -63.92 138.42 62.81 Favored 'Trans proline' 0 N--CA 1.452 -0.92 0 C-N-CA 122.749 2.3 . . . . 0.63 111.007 178.184 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.48 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 6.2 m-20 -53.98 -36.36 62.82 Favored 'General case' 0 C--N 1.317 -0.845 0 C-N-CA 124.174 0.989 . . . . 2.3 113.196 -175.037 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -70.77 -32.57 69.75 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.565 -0.454 . . . . 2.38 111.299 -179.44 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -70.49 -35.63 73.36 Favored 'General case' 0 CA--C 1.505 -0.783 0 N-CA-C 109.607 -0.516 . . . . 1.52 109.607 177.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.617 ' O ' ' H2 ' ' A' ' 101' ' ' SXO . 94.5 t -56.76 -54.11 33.45 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.587 0 CA-C-N 115.098 -0.955 . . . . 0.79 109.109 176.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.48 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 66.5 mttm -61.07 -19.31 61.27 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.858 0.863 . . . . 1.24 111.694 -174.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -88.63 -12.67 41.89 Favored 'General case' 0 C--N 1.308 -1.237 0 CA-C-N 115.747 -0.66 . . . . 2.07 112.778 -178.296 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.445 HD22 ' HB3' ' A' ' 71' ' ' ASP . 87.7 mt -90.68 178.21 6.13 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 120.447 -0.501 . . . . 0.6 111.433 -177.384 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.478 ' HB2' ' OD1' ' A' ' 71' ' ' ASP . 9.9 mtmp? -130.36 -73.39 0.55 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.388 0.613 . . . . 2.69 111.745 -175.487 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.662 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 77.2 p -102.25 -172.44 2.14 Favored 'General case' 0 N--CA 1.434 -1.272 0 CA-C-O 121.238 0.542 . . . . 0.46 110.842 -175.665 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.474 HG12 ' CZ ' ' A' ' 32' ' ' PHE . 35.5 m -77.89 -13.51 14.0 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.33 0 N-CA-C 108.772 -0.825 . . . . 0.66 108.772 171.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.463 ' O ' ' HG2' ' A' ' 74' ' ' LYS . . . -73.18 -41.69 46.03 Favored Glycine 0 N--CA 1.435 -1.385 0 N-CA-C 108.504 -1.838 . . . . 0.46 108.504 174.448 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.478 ' OD1' ' HB2' ' A' ' 67' ' ' LYS . 5.1 m-20 -66.18 -40.58 90.57 Favored 'General case' 0 CA--C 1.508 -0.664 0 CA-C-O 121.578 0.704 . . . . 1.62 109.249 175.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.439 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -63.84 -48.96 74.68 Favored 'General case' 0 N--CA 1.437 -1.079 0 CA-C-N 114.851 -1.068 . . . . 0.51 109.849 -177.193 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.604 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 8.7 p -58.01 -50.52 73.15 Favored 'General case' 0 N--CA 1.427 -1.589 0 CA-C-O 118.827 -0.606 . . . . 0.46 112.444 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.463 ' HG2' ' O ' ' A' ' 70' ' ' GLY . 46.7 mmtm -49.55 -45.98 48.25 Favored 'General case' 0 N--CA 1.478 0.97 0 O-C-N 123.874 0.734 . . . . 3.54 111.241 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -70.01 -56.73 6.22 Favored 'General case' 0 C--O 1.243 0.751 0 CA-C-N 115.726 -0.67 . . . . 0.83 111.234 179.406 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 99.1 mt -57.99 -56.16 17.54 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.708 0 CA-C-N 115.798 -0.637 . . . . 0.65 112.041 -174.278 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.604 ' HG ' ' O ' ' A' ' 73' ' ' THR . 3.9 pp -60.1 -22.2 62.48 Favored 'General case' 0 CA--C 1.519 -0.224 0 N-CA-C 112.569 0.581 . . . . 1.74 112.569 -174.179 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -79.95 -36.46 36.16 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.449 0.643 . . . . 1.32 110.503 -179.662 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 54.2 m-70 -91.52 3.19 55.58 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 113.152 0.797 . . . . 2.89 113.152 -174.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -72.42 -178.29 2.5 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 121.934 0.873 . . . . 2.23 111.49 -178.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.417 -2.079 0 N-CA-C 106.412 -1.699 . . . . 3.38 106.412 171.528 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 101' ' ' SXO . . . . . 0.658 ' H5A' ' CE1' ' A' ' 32' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.395 0 N-CA-C 109.201 -0.666 . . . . 2.17 109.201 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -151.04 -175.22 5.06 Favored 'General case' 0 C--O 1.243 0.718 0 N-CA-C 109.426 -0.583 . . . . 1.12 109.426 -175.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.565 ' O ' HG12 ' A' ' 7' ' ' ILE . 0.9 OUTLIER -94.61 177.48 5.91 Favored 'General case' 0 C--O 1.205 -1.247 0 CA-C-O 118.761 -0.638 . . . . 1.57 110.623 -176.424 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.469 ' HG2' ' HB ' ' A' ' 73' ' ' THR . 49.5 mt-30 -45.25 -56.31 4.97 Favored 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 115.459 1.652 . . . . 1.76 115.459 -171.273 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -65.61 -38.73 90.3 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-O 121.391 0.615 . . . . 3.05 110.092 -176.219 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -70.2 -34.81 73.4 Favored 'General case' 0 C--N 1.306 -1.288 0 CA-C-N 114.818 -1.083 . . . . 2.53 109.319 -179.148 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.565 HG12 ' O ' ' A' ' 3' ' ' THR . 36.4 mm -64.09 -53.26 45.88 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.947 0 N-CA-C 108.366 -0.976 . . . . 0.45 108.366 175.426 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.528 ' HA ' HD12 ' A' ' 11' ' ' LEU . 78.0 t -53.03 -47.89 53.41 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 123.576 0.75 . . . . 0.57 110.768 178.765 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.45 -39.75 73.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.886 -0.597 . . . . 0.48 110.683 177.449 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.422 ' C ' ' HZ ' ' A' ' 54' ' ' PHE . . . -70.98 -43.73 56.95 Favored Glycine 0 C--O 1.214 -1.116 0 N-CA-C 110.767 -0.933 . . . . 0.37 110.767 178.119 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.528 HD12 ' HA ' ' A' ' 8' ' ' VAL . 94.9 mt -52.8 -48.28 67.01 Favored 'General case' 0 CA--C 1.5 -0.968 0 C-N-CA 123.935 0.894 . . . . 0.33 110.859 -179.503 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.68 -36.26 73.92 Favored 'General case' 0 C--O 1.214 -0.805 0 CA-C-N 115.381 -0.827 . . . . 0.28 111.851 -178.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -58.92 -34.27 71.51 Favored 'General case' 0 CA--C 1.517 -0.326 0 O-C-N 123.507 0.504 . . . . 2.48 110.68 -179.69 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.594 ' HB ' HG23 ' A' ' 46' ' ' VAL . 4.5 mp -84.83 -38.96 13.81 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.376 0 C-N-CA 119.426 -0.91 . . . . 0.44 109.238 176.3 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 11' ' ' LEU . 20.4 t -60.06 -23.89 28.49 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.203 0 O-C-N 121.928 -0.483 . . . . 0.34 111.023 179.376 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 20.7 m120 -63.17 -49.05 75.83 Favored 'General case' 0 CA--C 1.503 -0.85 0 O-C-N 121.879 -0.513 . . . . 0.95 111.361 174.344 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -78.11 -24.04 47.66 Favored 'General case' 0 C--N 1.304 -1.401 0 C-N-CA 120.344 -0.542 . . . . 2.11 111.73 -176.518 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.719 HG13 ' HB ' ' A' ' 46' ' ' VAL . 48.1 mm -80.61 -53.0 13.5 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 CA-C-N 116.336 -0.393 . . . . 0.71 110.153 179.224 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -117.18 -57.07 2.19 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-O 120.978 0.418 . . . . 0.68 111.146 -177.665 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 112.39 95.15 2.21 Favored Glycine 0 C--N 1.305 -1.184 0 N-CA-C 110.496 -1.042 . . . . 0.93 110.496 -176.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.7 pp -133.71 161.93 60.74 Favored Pre-proline 0 C--N 1.3 -1.565 0 N-CA-C 111.916 0.339 . . . . 0.6 111.916 -177.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -77.33 130.05 10.73 Favored 'Trans proline' 0 N--CA 1.437 -1.795 0 N-CA-C 108.07 -1.55 . . . . 0.75 108.07 170.095 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 27.5 m -68.83 -25.15 29.67 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.189 0 N-CA-C 111.969 0.359 . . . . 1.48 111.969 -176.257 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -83.07 -9.04 59.45 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-O 121.579 0.704 . . . . 2.03 110.273 177.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.703 ' O ' ' HE3' ' A' ' 30' ' ' LYS . 17.7 t70 -83.16 -37.23 23.98 Favored 'General case' 0 N--CA 1.432 -1.353 0 N-CA-C 108.113 -1.069 . . . . 1.07 108.113 178.675 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.423 HG12 HG13 ' A' ' 8' ' ' VAL . 33.1 t -72.75 86.64 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-O 121.801 0.81 . . . . 0.73 109.791 179.763 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.563 ' H ' ' HG3' ' A' ' 30' ' ' LYS . 59.2 mttp -97.1 -164.4 1.14 Allowed 'General case' 0 C--N 1.307 -1.273 0 CA-C-N 114.093 -1.412 . . . . 2.83 108.666 178.265 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -79.25 -33.25 43.74 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 113.582 0.956 . . . . 1.07 113.582 -177.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -97.63 71.28 2.26 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-O 122.523 1.154 . . . . 2.47 108.688 177.17 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.703 ' HE3' ' O ' ' A' ' 25' ' ' ASP . 62.3 mmtt -138.34 141.46 39.73 Favored 'General case' 0 C--N 1.305 -1.328 0 CA-C-N 113.279 -1.782 . . . . 1.06 110.073 -179.513 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.573 ' HB3' ' HB3' ' A' ' 34' ' ' ASP . 15.5 t -129.67 150.57 50.93 Favored 'General case' 0 C--N 1.28 -2.445 0 N-CA-C 107.329 -1.36 . . . . 1.31 107.329 175.323 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.621 ' HA ' HD12 ' A' ' 36' ' ' LEU . 85.6 m-85 -69.53 -42.96 73.95 Favored 'General case' 0 CA--C 1.493 -1.219 0 CA-C-O 121.267 0.556 . . . . 1.03 111.563 -166.394 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.552 ' HA ' HG22 ' A' ' 38' ' ' VAL . 34.7 p -110.91 28.82 8.34 Favored 'General case' 0 N--CA 1.405 -2.699 0 C-N-CA 119.594 -0.842 . . . . 1.37 111.787 -178.502 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.573 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 11.3 t70 -133.93 -43.28 0.81 Allowed 'General case' 0 C--N 1.29 -1.986 0 CA-C-N 115.398 -0.819 . . . . 2.31 110.392 178.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.418 ' HB3' ' HD3' ' A' ' 30' ' ' LYS . 1.2 t0 -119.87 0.13 10.78 Favored 'General case' 0 C--N 1.311 -1.096 0 C-N-CA 119.919 -0.712 . . . . 1.67 111.164 -175.52 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.621 HD12 ' HA ' ' A' ' 32' ' ' PHE . 35.4 mt -111.36 -163.75 0.87 Allowed 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.088 -0.645 . . . . 0.69 110.913 -176.397 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -64.01 -23.66 67.42 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.239 0.616 . . . . 2.15 110.267 179.481 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.552 HG22 ' HA ' ' A' ' 33' ' ' THR . 88.4 t 76.08 84.46 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.437 -1.1 0 C-N-CA 125.32 1.448 . . . . 2.23 112.298 179.034 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.908 ' HB2' ' HB3' ' A' ' 42' ' ' SER . 12.4 p-10 -108.38 102.5 11.6 Favored 'General case' 0 C--N 1.272 -2.797 0 N-CA-C 106.465 -1.68 . . . . 2.96 106.465 167.006 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.669 ' HB2' ' H28' ' A' ' 101' ' ' SXO . 81.6 p -81.55 -53.17 6.49 Favored 'General case' 0 C--N 1.286 -2.163 0 CA-C-N 115.346 -0.843 . . . . 1.19 112.103 -169.554 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.446 ' HA ' HD12 ' A' ' 41' ' ' LEU . 9.0 tp -88.79 -34.92 16.91 Favored 'General case' 0 N--CA 1.396 -3.15 0 CA-C-O 121.98 0.895 . . . . 1.34 109.734 179.729 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.908 ' HB3' ' HB2' ' A' ' 39' ' ' ASP . 28.1 t -63.1 -24.17 67.78 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-N 114.379 -1.282 . . . . 1.26 111.325 -178.207 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.518 ' HB2' ' O ' ' A' ' 39' ' ' ASP . 22.7 ttp -61.24 -22.15 64.54 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 120.911 0.386 . . . . 0.97 111.836 -178.36 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.495 ' HA ' HG12 ' A' ' 47' ' ' VAL . 60.5 t -56.89 -32.7 39.81 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 CA-C-O 121.369 0.604 . . . . 0.65 109.991 178.304 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -72.35 -37.11 68.9 Favored 'General case' 0 N--CA 1.432 -1.325 0 CA-C-N 115.889 -0.596 . . . . 2.06 111.749 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.719 ' HB ' HG13 ' A' ' 18' ' ' ILE . 7.5 p -77.56 -32.12 18.12 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.613 0 C-N-CA 119.792 -0.763 . . . . 1.43 111.209 178.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.495 HG12 ' HA ' ' A' ' 44' ' ' VAL . 14.1 p -70.94 -38.67 73.27 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 C-N-CA 119.329 -0.949 . . . . 0.53 111.098 178.572 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 9.1 p -70.43 -30.68 43.91 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.615 0 CA-C-O 121.426 0.632 . . . . 0.65 109.554 177.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.519 ' O ' ' HG2' ' A' ' 53' ' ' ARG . . . -74.01 -30.2 62.34 Favored 'General case' 0 C--O 1.211 -0.963 0 CA-C-N 116.034 -0.53 . . . . 0.32 110.227 177.517 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.33 -35.85 80.36 Favored 'General case' 0 C--N 1.31 -1.152 0 CA-C-O 120.745 0.307 . . . . 0.36 110.574 179.483 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.499 ' OE1' ' HG3' ' A' ' 57' ' ' LYS . 32.2 mt-10 -56.19 -56.06 25.5 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.303 0.573 . . . . 0.78 110.468 177.277 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -70.99 -25.7 62.82 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.186 -0.915 . . . . 0.96 112.626 -175.547 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.519 ' HG2' ' O ' ' A' ' 49' ' ' ALA . 25.4 mmt180 -88.25 -28.61 21.0 Favored 'General case' 0 C--N 1.318 -0.766 0 C-N-CA 120.554 -0.458 . . . . 3.85 112.132 -177.324 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.422 ' HZ ' ' C ' ' A' ' 10' ' ' GLY . 78.4 m-85 -111.41 11.5 21.49 Favored 'General case' 0 C--O 1.242 0.663 0 N-CA-C 113.397 0.888 . . . . 0.4 113.397 -175.128 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 66.53 30.23 8.63 Favored 'General case' 0 N--CA 1.496 1.842 0 C-N-CA 123.321 0.649 . . . . 1.95 110.451 178.233 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.694 HG22 ' H ' ' A' ' 57' ' ' LYS . 9.1 p -123.48 -175.01 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.299 -1.603 0 C-N-CA 120.419 -0.512 . . . . 1.37 110.164 -173.812 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.694 ' H ' HG22 ' A' ' 56' ' ' VAL . 13.9 ttmm -151.47 134.39 15.76 Favored 'General case' 0 N--CA 1.422 -1.843 0 N-CA-C 107.442 -1.318 . . . . 3.34 107.442 175.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 53.7 mt -133.63 113.59 13.02 Favored Pre-proline 0 C--N 1.31 -1.129 0 N-CA-C 109.381 -0.6 . . . . 0.57 109.381 -176.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.553 ' O ' HG23 ' A' ' 63' ' ' VAL . 39.0 Cg_exo -61.9 143.26 95.42 Favored 'Trans proline' 0 C--O 1.234 0.3 0 C-N-CA 123.303 2.669 . . . . 0.63 111.181 176.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -56.05 -38.49 70.68 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 124.009 0.924 . . . . 2.3 112.483 -175.331 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -76.08 -25.67 55.74 Favored 'General case' 0 C--N 1.315 -0.905 0 C-N-CA 120.517 -0.473 . . . . 2.38 111.999 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.44 ' HA ' ' HB3' ' A' ' 65' ' ' ASN . 2.2 t70 -79.25 -27.76 42.38 Favored 'General case' 0 C--O 1.219 -0.54 0 N-CA-C 108.607 -0.886 . . . . 1.52 108.607 -178.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 59' ' ' PRO . 58.8 t -57.34 -57.59 9.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 N-CA-C 108.266 -1.013 . . . . 0.79 108.266 174.235 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.45 ' HE3' H37A ' A' ' 101' ' ' SXO . 59.2 mttp -64.24 -17.1 63.26 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 115.198 -0.91 . . . . 1.24 110.933 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.44 ' HB3' ' HA ' ' A' ' 62' ' ' ASP . 2.3 t30 -76.72 -30.43 56.63 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 115.481 -0.781 . . . . 2.07 111.098 177.036 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.556 HD13 ' HA ' ' A' ' 72' ' ' ALA . 90.0 mt -82.77 -177.81 6.87 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.522 -0.547 . . . . 0.6 109.522 -178.547 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.571 ' HG3' ' OD2' ' A' ' 71' ' ' ASP . 19.2 pttp -143.45 -60.61 0.41 Allowed 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 113.023 0.749 . . . . 2.69 113.023 178.735 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.503 HG22 ' HB2' ' A' ' 31' ' ' SER . 48.5 p -101.63 -177.83 3.54 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 119.758 -0.777 . . . . 0.46 110.806 -178.617 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 28.7 m -77.78 -15.9 14.18 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.025 0 N-CA-C 109.029 -0.73 . . . . 0.66 109.029 173.564 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -74.82 -37.43 44.7 Favored Glycine 0 N--CA 1.432 -1.617 0 N-CA-C 109.602 -1.399 . . . . 0.46 109.602 177.345 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.571 ' OD2' ' HG3' ' A' ' 67' ' ' LYS . 20.5 m-20 -74.73 -34.41 62.56 Favored 'General case' 0 CA--C 1.507 -0.706 0 N-CA-C 108.832 -0.803 . . . . 1.62 108.832 177.715 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.556 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -66.58 -51.55 55.23 Favored 'General case' 0 N--CA 1.436 -1.166 0 CA-C-N 114.62 -1.173 . . . . 0.51 110.504 -177.118 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.549 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 19.6 p -56.45 -40.17 74.35 Favored 'General case' 0 N--CA 1.439 -1.024 0 O-C-N 123.671 0.607 . . . . 0.46 112.52 -178.345 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -59.02 -49.66 77.04 Favored 'General case' 0 CA--C 1.514 -0.425 0 O-C-N 123.606 0.566 . . . . 3.54 110.649 178.13 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -65.87 -41.5 91.54 Favored 'General case' 0 C--O 1.244 0.808 0 CA-C-O 121.223 0.535 . . . . 0.83 110.829 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.626 ' HA ' HG21 ' A' ' 56' ' ' VAL . 92.2 mt -59.69 -57.12 13.03 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.953 0 CA-C-N 115.673 -0.694 . . . . 0.65 111.078 179.522 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' A' ' 73' ' ' THR . 3.8 pp -64.38 -21.82 66.75 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.363 0.601 . . . . 1.74 112.462 -179.158 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -72.57 -41.79 65.34 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 115.122 -0.944 . . . . 1.32 110.556 178.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 55.5 m-70 -103.54 4.46 35.84 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 114.667 1.358 . . . . 2.89 114.667 -179.479 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.482 ' NE2' ' HA ' ' A' ' 77' ' ' LEU . 4.0 pt20 -71.99 139.83 48.8 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 118.072 0.396 . . . . 2.23 111.908 -176.479 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.26 1.648 0 C-N-CA 125.505 1.522 . . . . 3.38 111.785 175.575 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 101' ' ' SXO . . . . . 0.669 ' H28' ' HB2' ' A' ' 40' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.512 -0.493 0 CA-C-O 120.6 0.238 . . . . 2.17 110.372 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.564 ' HB1' ' HB2' ' A' ' 6' ' ' GLU . . . -136.21 161.68 35.08 Favored 'General case' 0 C--N 1.314 -0.974 0 N-CA-C 108.785 -0.82 . . . . 1.12 108.785 176.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.576 ' O ' HG12 ' A' ' 7' ' ' ILE . 14.6 t -89.09 176.12 7.11 Favored 'General case' 0 C--O 1.194 -1.863 0 C-N-CA 119.456 -0.898 . . . . 1.57 111.668 -177.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -57.76 -29.56 64.9 Favored 'General case' 0 CA--C 1.498 -1.037 0 O-C-N 123.934 0.771 . . . . 1.76 110.037 -178.405 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -69.38 -42.34 75.28 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-O 121.532 0.682 . . . . 3.05 110.687 -179.512 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.564 ' HB2' ' HB1' ' A' ' 2' ' ' ALA . 38.0 mt-10 -83.04 -24.66 32.68 Favored 'General case' 0 C--N 1.295 -1.799 0 CA-C-N 114.351 -1.295 . . . . 2.53 109.195 -177.471 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.576 HG12 ' O ' ' A' ' 3' ' ' THR . 34.6 mm -72.6 -51.79 26.53 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.047 0 N-CA-C 108.94 -0.763 . . . . 0.45 108.94 179.142 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.512 HG13 HG12 ' A' ' 26' ' ' VAL . 53.0 t -52.51 -46.97 48.69 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 CA-C-N 116.019 -0.537 . . . . 0.57 109.951 177.021 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.534 ' O ' ' HG3' ' A' ' 13' ' ' GLU . . . -53.91 -46.98 71.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.372 -0.831 . . . . 0.48 111.209 179.012 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.97 -43.29 96.13 Favored Glycine 0 C--N 1.338 0.648 0 N-CA-C 111.005 -0.838 . . . . 0.37 111.005 -178.203 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.426 HD21 HD11 ' A' ' 76' ' ' ILE . 96.9 mt -57.15 -47.82 80.22 Favored 'General case' 0 C--O 1.244 0.802 0 C-N-CA 123.443 0.697 . . . . 0.33 110.931 179.798 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.05 -23.53 62.16 Favored 'General case' 0 N--CA 1.429 -1.496 0 CA-C-N 115.327 -0.851 . . . . 0.28 112.216 -177.345 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.534 ' HG3' ' O ' ' A' ' 9' ' ' ALA . 49.0 mt-10 -62.91 -39.77 95.56 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-N 118.009 0.368 . . . . 2.48 110.681 176.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.862 ' HB ' HG23 ' A' ' 46' ' ' VAL . 5.3 mp -77.44 -47.99 25.26 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.937 0 C-N-CA 119.899 -0.721 . . . . 0.44 109.615 176.376 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.526 HG23 HG21 ' A' ' 46' ' ' VAL . 41.1 t -61.89 -23.8 32.41 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.418 0 CA-C-O 121.265 0.555 . . . . 0.34 112.187 -178.672 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -72.66 -34.49 67.29 Favored 'General case' 0 C--O 1.213 -0.847 0 O-C-N 121.369 -0.832 . . . . 0.95 110.086 176.056 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -75.29 -38.64 60.26 Favored 'General case' 0 C--N 1.313 -0.988 0 N-CA-C 109.121 -0.696 . . . . 2.11 109.121 177.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 40.0 mm -74.87 -53.9 15.52 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.936 0 CA-C-N 115.43 -0.804 . . . . 0.71 112.135 -178.552 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -113.12 -32.84 6.2 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 113.12 0.785 . . . . 0.68 113.12 -174.04 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.97 30.57 7.03 Favored Glycine 0 C--N 1.313 -0.726 0 C-N-CA 119.775 -1.202 . . . . 0.93 114.396 176.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.503 HD11 ' HB ' ' A' ' 15' ' ' VAL . 1.9 pp -82.59 140.68 44.51 Favored Pre-proline 0 C--N 1.314 -0.957 0 CA-C-N 117.25 0.525 . . . . 0.6 111.915 176.394 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 21' ' ' ILE . 16.6 Cg_exo -64.5 142.56 78.63 Favored 'Trans proline' 0 N--CA 1.452 -0.963 0 C-N-CA 122.579 2.186 . . . . 0.75 110.374 175.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.7 m -76.05 -5.82 7.88 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.224 0 CA-C-O 121.504 0.669 . . . . 1.48 110.984 179.445 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -85.17 -21.55 29.14 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-N 115.281 -0.872 . . . . 2.03 108.747 175.144 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -82.66 -37.3 25.05 Favored 'General case' 0 CA--C 1.503 -0.857 0 CA-C-N 115.558 -0.747 . . . . 1.07 109.45 -176.336 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.512 HG12 HG13 ' A' ' 8' ' ' VAL . 27.9 t -73.2 87.43 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.047 0 CA-C-N 114.91 -1.041 . . . . 0.73 111.246 -176.159 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.511 ' H ' ' HG2' ' A' ' 30' ' ' LYS . 95.6 mttt -107.81 166.15 10.91 Favored 'General case' 0 C--N 1.293 -1.872 0 N-CA-C 107.091 -1.448 . . . . 2.83 107.091 174.235 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.417 ' HA ' HG23 ' A' ' 69' ' ' VAL . 3.7 mm? -49.28 -40.66 35.43 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 115.947 1.832 . . . . 1.07 115.947 -169.554 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -88.78 16.2 7.17 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 114.022 1.119 . . . . 2.47 114.022 -176.61 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.568 ' HD2' ' OD2' ' A' ' 35' ' ' ASP . 18.7 mmtp -84.71 124.59 31.68 Favored 'General case' 0 C--N 1.314 -0.936 0 C-N-CA 119.62 -0.832 . . . . 1.06 110.165 176.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.737 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 7.3 t -95.87 144.56 26.11 Favored 'General case' 0 C--N 1.295 -1.774 0 N-CA-C 109.086 -0.709 . . . . 1.31 109.086 177.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.649 ' HA ' HD12 ' A' ' 36' ' ' LEU . 98.0 m-85 -71.37 24.33 0.04 OUTLIER 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 124.297 1.039 . . . . 1.03 112.855 -176.433 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.756 ' HB ' ' HB3' ' A' ' 40' ' ' SER . 9.7 t -172.48 -48.34 0.02 OUTLIER 'General case' 0 N--CA 1.439 -1.018 0 C-N-CA 122.764 0.425 . . . . 1.37 110.738 175.791 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.484 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 13.4 t70 -62.05 -39.17 91.44 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-O 121.649 0.738 . . . . 2.31 109.784 -178.757 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.568 ' OD2' ' HD2' ' A' ' 30' ' ' LYS . 20.4 t70 -105.55 -58.05 1.95 Allowed 'General case' 0 C--N 1.308 -1.22 0 CA-C-N 115.541 -0.754 . . . . 1.67 111.27 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.649 HD12 ' HA ' ' A' ' 32' ' ' PHE . 75.2 mt -57.91 147.04 30.07 Favored 'General case' 0 CA--C 1.5 -0.964 0 N-CA-C 114.176 1.176 . . . . 0.69 114.176 -171.517 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -89.74 65.8 6.92 Favored 'General case' 0 C--N 1.296 -1.741 0 CA-C-N 113.613 -1.63 . . . . 2.15 108.089 -177.361 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.487 HG23 ' H ' ' A' ' 40' ' ' SER . 30.9 m -130.07 -172.33 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.402 -2.831 0 CA-C-N 112.891 -1.958 . . . . 2.23 109.393 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -117.13 25.14 10.69 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-O 121.296 0.569 . . . . 2.96 109.686 175.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.756 ' HB3' ' HB ' ' A' ' 33' ' ' THR . 95.2 p 61.93 -71.25 0.04 OUTLIER 'General case' 0 C--N 1.317 -0.833 0 C-N-CA 127.298 2.239 . . . . 1.19 114.481 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.1 mp -45.9 -24.35 0.39 Allowed 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 125.62 1.568 . . . . 1.34 114.024 -175.169 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.0 m -60.05 -26.91 66.51 Favored 'General case' 0 C--N 1.304 -1.396 0 C-N-CA 123.702 0.801 . . . . 1.26 111.421 177.721 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.563 ' SD ' ' H5A' ' A' ' 101' ' ' SXO . 9.3 tmm? -62.13 -22.48 65.87 Favored 'General case' 0 C--O 1.216 -0.7 0 C-N-CA 124.016 0.926 . . . . 0.97 110.66 -179.241 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 58.9 t -56.69 -26.93 24.63 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.108 0 CA-C-O 121.257 0.551 . . . . 0.65 111.113 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -81.1 -28.55 35.17 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 116.23 -0.441 . . . . 2.06 112.037 176.479 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.862 HG23 ' HB ' ' A' ' 14' ' ' ILE . 12.5 p -82.22 -34.25 12.12 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.076 0 C-N-CA 120.43 -0.508 . . . . 1.43 110.764 -178.558 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.421 ' O ' ' HG2' ' A' ' 51' ' ' GLU . 11.5 p -62.59 -42.46 96.01 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 C-N-CA 120.175 -0.61 . . . . 0.53 111.061 179.537 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 9.3 p -73.86 -21.37 18.13 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.723 0 CA-C-O 121.707 0.765 . . . . 0.65 110.425 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -86.15 -22.85 26.8 Favored 'General case' 0 C--O 1.21 -1.023 0 CA-C-N 115.867 -0.606 . . . . 0.32 110.124 178.599 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.11 -32.16 66.71 Favored 'General case' 0 C--N 1.305 -1.349 0 CA-C-N 116.359 -0.382 . . . . 0.36 110.008 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.506 ' CD ' ' H ' ' A' ' 58' ' ' ILE . 5.5 mm-40 -50.91 -55.81 15.33 Favored 'General case' 0 C--N 1.314 -0.963 0 C-N-CA 124.628 1.171 . . . . 0.78 110.514 178.553 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -75.38 -27.98 59.32 Favored 'General case' 0 C--N 1.306 -1.297 0 CA-C-N 114.518 -1.219 . . . . 0.96 111.733 -178.666 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.0 tpm_? -84.99 -36.88 21.03 Favored 'General case' 0 N--CA 1.437 -1.108 0 N-CA-C 112.462 0.542 . . . . 3.85 112.462 -171.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -108.72 6.72 25.95 Favored 'General case' 0 C--N 1.312 -1.057 0 N-CA-C 112.794 0.664 . . . . 0.4 112.794 -175.394 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 67.38 36.87 3.72 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 123.745 0.653 . . . . 1.95 110.965 -179.574 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.49 HG23 ' HA ' ' A' ' 51' ' ' GLU . 22.3 m -114.3 -170.46 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.104 0 CA-C-N 116.204 -0.453 . . . . 1.37 112.038 -178.576 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -167.08 101.62 0.53 Allowed 'General case' 0 C--O 1.247 0.94 0 N-CA-C 106.545 -1.65 . . . . 3.34 106.545 179.182 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.506 ' H ' ' CD ' ' A' ' 51' ' ' GLU . 33.1 mt -108.17 118.99 51.19 Favored Pre-proline 0 C--N 1.287 -2.141 0 CA-C-N 114.846 -1.07 . . . . 0.57 109.791 -172.766 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.454 ' O ' HG23 ' A' ' 63' ' ' VAL . 27.5 Cg_exo -62.41 129.59 27.27 Favored 'Trans proline' 0 N--CA 1.454 -0.813 0 C-N-CA 122.528 2.152 . . . . 0.63 110.115 176.176 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -50.11 -39.68 43.56 Favored 'General case' 0 N--CA 1.48 1.073 0 N-CA-C 115.351 1.611 . . . . 2.3 115.351 -173.73 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -83.11 -25.3 32.09 Favored 'General case' 0 C--N 1.305 -1.337 0 C-N-CA 119.086 -1.046 . . . . 2.38 112.874 177.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -71.26 -25.05 62.29 Favored 'General case' 0 C--N 1.314 -0.967 0 N-CA-C 109.529 -0.545 . . . . 1.52 109.529 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 59' ' ' PRO . 58.2 t -55.59 -45.04 78.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 CA-C-N 114.992 -1.004 . . . . 0.79 109.749 174.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -63.88 -8.65 11.73 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-N 115.174 -0.921 . . . . 1.24 113.421 -173.652 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 56.0 t30 -83.16 -20.11 35.36 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-O 121.138 0.494 . . . . 2.07 109.672 178.028 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 62.1 mt -84.55 176.24 8.75 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.823 -0.806 . . . . 0.6 108.823 -178.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.2 pttm -158.48 -55.32 0.07 Allowed 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 112.613 0.597 . . . . 2.69 112.613 -176.683 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.737 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 57.9 p -97.49 175.58 6.17 Favored 'General case' 0 N--CA 1.431 -1.392 0 C-N-CA 119.834 -0.746 . . . . 0.46 109.83 179.021 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.531 HG12 ' CZ ' ' A' ' 32' ' ' PHE . 33.4 m -76.28 -13.27 14.7 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.184 0 C-N-CA 120.451 -0.5 . . . . 0.66 110.024 175.266 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -75.8 -27.38 62.89 Favored Glycine 0 N--CA 1.442 -0.918 0 N-CA-C 110.442 -1.063 . . . . 0.46 110.442 174.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -78.37 -38.98 40.54 Favored 'General case' 0 CA--C 1.504 -0.82 0 N-CA-C 107.921 -1.14 . . . . 1.62 107.921 174.641 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.82 -53.1 56.11 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 114.737 -1.12 . . . . 0.51 110.812 -176.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.515 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 7.2 p -54.48 -55.03 33.19 Favored 'General case' 0 N--CA 1.447 -0.593 0 O-C-N 123.679 0.612 . . . . 0.46 111.553 179.324 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.7 tppt? -55.26 -42.54 73.63 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 124.212 0.945 . . . . 3.54 110.901 -179.246 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.502 ' HE1' HG12 ' A' ' 58' ' ' ILE . 39.8 t80 -65.76 -46.95 76.89 Favored 'General case' 0 C--O 1.242 0.685 0 CA-C-O 120.919 0.39 . . . . 0.83 110.337 178.683 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.426 HD11 HD21 ' A' ' 11' ' ' LEU . 83.4 mt -59.62 -59.62 3.67 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.59 0 CA-C-N 115.889 -0.596 . . . . 0.65 111.343 -179.566 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.515 ' HG ' ' O ' ' A' ' 73' ' ' THR . 3.5 pp -58.16 -22.61 52.04 Favored 'General case' 0 C--O 1.221 -0.401 0 N-CA-C 112.726 0.639 . . . . 1.74 112.726 -177.146 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -72.1 -35.91 69.33 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-N 115.323 -0.853 . . . . 1.32 111.02 178.124 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 61.5 t-80 -102.5 -16.94 15.99 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 116.011 -0.54 . . . . 2.89 112.042 -175.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.422 ' HG2' ' HA ' ' A' ' 77' ' ' LEU . 26.6 pt20 -70.92 158.06 37.09 Favored 'General case' 0 C--O 1.251 1.171 0 CA-C-O 120.936 0.398 . . . . 2.23 111.075 -175.514 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.426 -1.65 0 N-CA-C 108.105 -1.072 . . . . 3.38 108.105 177.099 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 101' ' ' SXO . . . . . 0.719 ' H42' ' HB2' ' A' ' 40' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.553 0 N-CA-C 109.527 -0.546 . . . . 2.17 109.527 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -140.76 -156.83 0.71 Allowed 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 107.657 -1.238 . . . . 1.12 107.657 -177.737 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.422 HG22 ' H ' ' A' ' 4' ' ' GLN . 26.2 m -145.16 170.82 15.49 Favored 'General case' 0 C--N 1.307 -1.281 0 N-CA-C 107.987 -1.116 . . . . 1.57 107.987 174.713 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.422 ' H ' HG22 ' A' ' 3' ' ' THR . 15.5 pt20 -47.22 -52.47 15.77 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 114.649 1.352 . . . . 1.76 114.649 -177.018 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -63.64 -44.44 93.86 Favored 'General case' 0 C--O 1.216 -0.685 0 N-CA-C 110.133 -0.321 . . . . 3.05 110.133 -176.013 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -59.27 -38.26 79.67 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 123.631 0.772 . . . . 2.53 111.781 176.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 41.7 mm -68.41 -50.14 59.63 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 N-CA-C 109.214 -0.661 . . . . 0.45 109.214 177.503 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.442 ' HA ' HD12 ' A' ' 11' ' ' LEU . 93.2 t -59.24 -39.28 78.37 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.036 0 CA-C-O 121.217 0.532 . . . . 0.57 110.839 178.517 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.26 -25.56 66.13 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 123.03 0.532 . . . . 0.48 111.119 177.608 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -77.52 -44.65 12.44 Favored Glycine 0 N--CA 1.438 -1.204 0 N-CA-C 109.555 -1.418 . . . . 0.37 109.555 175.074 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.442 HD12 ' HA ' ' A' ' 8' ' ' VAL . 95.3 mt -55.51 -47.01 76.91 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.723 0.809 . . . . 0.33 111.136 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.77 -25.17 67.81 Favored 'General case' 0 C--O 1.214 -0.814 0 CA-C-N 115.599 -0.728 . . . . 0.28 112.736 -177.432 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -61.65 -48.7 79.64 Favored 'General case' 0 C--O 1.25 1.123 0 C-N-CA 121.207 -0.197 . . . . 2.48 110.534 176.036 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.547 HG21 ' HA ' ' A' ' 46' ' ' VAL . 3.6 mp -73.62 -39.79 53.99 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 109.037 -0.727 . . . . 0.44 109.037 179.662 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.471 HG12 ' CG1' ' A' ' 21' ' ' ILE . 61.7 t -64.26 -29.33 47.05 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.028 0 C-N-CA 119.946 -0.702 . . . . 0.34 111.879 179.162 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -69.84 -41.82 74.41 Favored 'General case' 0 C--N 1.319 -0.759 0 O-C-N 121.555 -0.715 . . . . 0.95 110.591 175.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.476 ' HG2' ' HA ' ' A' ' 14' ' ' ILE . 10.7 pt-20 -74.55 -23.85 58.85 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.145 -0.622 . . . . 2.11 111.628 -178.783 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 47.1 mm -92.29 -54.47 7.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 C-N-CA 120.907 -0.317 . . . . 0.71 111.229 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -102.24 -26.98 13.13 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 113.253 0.835 . . . . 0.68 113.253 -171.423 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 86.78 44.27 5.81 Favored Glycine 0 C--N 1.314 -0.681 0 C-N-CA 120.34 -0.933 . . . . 0.93 113.041 178.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.471 ' CG1' HG12 ' A' ' 15' ' ' VAL . 2.6 pp -89.09 155.84 49.32 Favored Pre-proline 0 C--N 1.308 -1.207 0 O-C-N 122.686 -0.302 . . . . 0.6 111.643 179.355 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -78.7 138.58 15.2 Favored 'Trans proline' 0 N--CA 1.442 -1.518 0 C-N-CA 122.421 2.081 . . . . 0.75 108.947 172.222 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.2 m -85.91 23.93 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.58 0 CA-C-O 121.969 0.89 . . . . 1.48 113.137 -174.454 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -110.87 -17.05 13.41 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 107.01 -1.478 . . . . 2.03 107.01 174.613 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.583 ' O ' ' HE3' ' A' ' 30' ' ' LYS . 3.9 t70 -87.57 -47.83 8.4 Favored 'General case' 0 N--CA 1.441 -0.908 0 CA-C-N 114.7 -1.136 . . . . 1.07 110.502 -171.041 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 46.4 t -68.53 93.46 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.427 -0.806 . . . . 0.73 111.003 -177.104 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.435 ' H ' ' HG3' ' A' ' 30' ' ' LYS . 52.6 mtmt -124.14 178.57 5.26 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 107.895 -1.15 . . . . 2.83 107.895 175.841 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -51.95 -41.33 61.98 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 114.969 1.47 . . . . 1.07 114.969 -174.149 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -91.31 68.72 5.93 Favored 'General case' 0 C--N 1.312 -1.061 0 C-N-CA 119.18 -1.008 . . . . 2.47 111.08 179.324 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.583 ' HE3' ' O ' ' A' ' 25' ' ' ASP . 66.6 mmtt -143.07 154.5 44.01 Favored 'General case' 0 C--N 1.303 -1.425 0 CA-C-N 114.064 -1.425 . . . . 1.06 108.821 176.771 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.528 ' OG ' ' HB3' ' A' ' 34' ' ' ASP . 7.4 p -136.01 148.42 48.4 Favored 'General case' 0 C--N 1.287 -2.128 0 N-CA-C 106.492 -1.67 . . . . 1.31 106.492 174.6 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.474 ' O ' ' HB2' ' A' ' 36' ' ' LEU . 99.0 m-85 -66.07 -45.83 79.88 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 114.76 1.393 . . . . 1.03 114.76 -167.781 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.413 HG21 ' HB3' ' A' ' 40' ' ' SER . 8.9 t -120.42 30.86 6.73 Favored 'General case' 0 C--N 1.295 -1.784 0 C-N-CA 118.314 -1.354 . . . . 1.37 112.031 -177.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.528 ' HB3' ' OG ' ' A' ' 31' ' ' SER . 11.7 t70 -128.42 -61.76 1.06 Allowed 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 108.335 -0.987 . . . . 2.31 108.335 175.829 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -81.85 -34.16 30.26 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 108.688 -0.856 . . . . 1.67 108.688 176.601 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.477 ' HB3' HG23 ' A' ' 38' ' ' VAL . 91.8 mt -100.16 176.0 5.54 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 116.139 -0.482 . . . . 0.69 110.054 -178.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -109.98 22.45 15.6 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-O 121.814 0.816 . . . . 2.15 109.19 -178.087 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.477 HG23 ' HB3' ' A' ' 36' ' ' LEU . 33.1 t -79.5 106.05 9.92 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.568 0 CA-C-N 114.802 -1.09 . . . . 2.23 108.53 -178.006 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -55.19 126.87 26.64 Favored 'General case' 0 C--N 1.316 -0.851 0 O-C-N 123.862 0.726 . . . . 2.96 109.519 177.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.43 ' O ' HG23 ' A' ' 44' ' ' VAL . 62.1 p -58.11 -47.79 82.18 Favored 'General case' 0 C--N 1.298 -1.657 0 C-N-CA 124.596 1.158 . . . . 1.19 113.364 -173.496 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.6 mp -61.37 -26.8 68.07 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-O 121.601 0.715 . . . . 1.34 109.969 179.068 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 58.1 m -84.32 -25.23 29.41 Favored 'General case' 0 N--CA 1.436 -1.144 0 CA-C-N 115.349 -0.842 . . . . 1.26 111.121 177.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.408 ' O ' ' HB ' ' A' ' 46' ' ' VAL . 7.3 tmm? -70.15 -24.01 63.09 Favored 'General case' 0 C--O 1.217 -0.623 0 N-CA-C 107.795 -1.187 . . . . 0.97 107.795 178.399 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.496 ' HA ' HG12 ' A' ' 47' ' ' VAL . 25.9 t -63.29 -26.42 40.81 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.36 0 CA-C-N 115.119 -0.946 . . . . 0.65 109.053 175.298 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -81.44 -18.9 43.71 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.716 0.77 . . . . 2.06 109.553 177.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.547 ' HA ' HG21 ' A' ' 14' ' ' ILE . 88.2 t -78.99 -56.08 8.09 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.276 0 N-CA-C 108.177 -1.045 . . . . 1.43 108.177 175.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.541 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 14.8 p -56.89 -33.47 41.74 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 N-CA-C 112.968 0.729 . . . . 0.53 112.968 -177.661 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 12.7 p -67.11 -27.98 41.19 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.11 0 C-N-CA 120.017 -0.673 . . . . 0.65 110.511 178.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -86.45 -23.36 26.05 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.699 0.762 . . . . 0.32 109.267 176.578 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.39 -37.38 71.57 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 115.728 -0.669 . . . . 0.36 110.575 179.041 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.541 ' HG3' ' O ' ' A' ' 47' ' ' VAL . 39.6 mt-10 -57.82 -48.42 79.8 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.318 0.58 . . . . 0.78 110.385 178.311 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -73.23 -35.42 66.28 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.674 -0.694 . . . . 0.96 112.124 -179.48 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.45 ' HA ' ' HD2' ' A' ' 53' ' ' ARG . 13.3 tpt180 -72.01 -52.1 18.62 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 120.847 0.356 . . . . 3.85 111.85 -178.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -86.92 2.88 47.83 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 116.099 -0.501 . . . . 0.4 111.894 -174.414 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 26.7 t70 66.38 10.76 7.5 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.256 1.022 . . . . 1.95 111.914 173.165 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.539 ' O ' ' HA ' ' A' ' 51' ' ' GLU . 4.5 p -119.65 121.32 65.94 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.422 0 CA-C-N 115.596 -0.729 . . . . 1.37 109.533 -176.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -70.94 126.87 30.76 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 115.562 -0.745 . . . . 3.34 109.308 179.534 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.466 ' H ' ' HG2' ' A' ' 51' ' ' GLU . 24.9 mt -129.69 95.78 28.47 Favored Pre-proline 0 C--N 1.298 -1.646 0 N-CA-C 107.615 -1.254 . . . . 0.57 107.615 -176.845 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.417 ' O ' HG23 ' A' ' 63' ' ' VAL . 31.6 Cg_exo -62.4 125.25 15.84 Favored 'Trans proline' 0 N--CA 1.453 -0.863 0 C-N-CA 122.274 1.983 . . . . 0.63 110.197 -179.424 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.622 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 7.2 p-10 -58.86 -25.75 63.59 Favored 'General case' 0 C--O 1.216 -0.698 0 O-C-N 123.245 0.341 . . . . 2.3 111.13 -177.747 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -62.81 -34.93 78.33 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 122.768 0.427 . . . . 2.38 111.004 176.119 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -84.11 -30.4 25.98 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 108.826 -0.805 . . . . 1.52 108.826 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.928 HG13 ' H5 ' ' A' ' 101' ' ' SXO . 91.8 t -59.05 -23.87 25.51 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 CA-C-N 114.829 -1.078 . . . . 0.79 110.833 177.051 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.622 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 92.7 mttt -75.54 -3.07 32.05 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.605 -0.725 . . . . 1.24 111.161 -178.144 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 59.9 m-20 -98.54 -20.81 16.84 Favored 'General case' 0 CA--C 1.509 -0.632 0 N-CA-C 109.56 -0.533 . . . . 2.07 109.56 177.246 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.694 ' HB2' ' H4 ' ' A' ' 101' ' ' SXO . 55.3 mt -86.22 162.31 18.37 Favored 'General case' 0 N--CA 1.439 -1.008 0 C-N-CA 120.692 -0.403 . . . . 0.6 110.915 -172.504 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 51.3 mtpt -131.03 -62.82 0.88 Allowed 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 112.669 0.618 . . . . 2.69 112.669 -176.201 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 63.2 p -93.09 177.0 6.2 Favored 'General case' 0 C--N 1.306 -1.296 0 C-N-CA 119.925 -0.71 . . . . 0.46 111.216 -178.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.451 HG12 ' CE2' ' A' ' 32' ' ' PHE . 24.1 m -83.97 -16.79 10.75 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.084 0 N-CA-C 109.963 -0.384 . . . . 0.66 109.963 177.334 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -78.6 -29.08 53.71 Favored Glycine 0 N--CA 1.443 -0.834 0 N-CA-C 109.044 -1.622 . . . . 0.46 109.044 174.474 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -77.73 -28.69 50.85 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 114.274 -0.963 . . . . 1.62 108.745 175.144 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.598 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -73.44 -49.38 27.22 Favored 'General case' 0 C--O 1.245 0.843 0 CA-C-N 115.173 -0.921 . . . . 0.51 110.592 178.32 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.486 ' O ' ' HB2' ' A' ' 77' ' ' LEU . 7.7 p -56.68 -37.89 71.5 Favored 'General case' 0 C--O 1.19 -2.068 0 CA-C-N 116.121 -0.49 . . . . 0.46 111.099 178.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.9 ttpp -51.61 -35.71 42.86 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 123.89 0.876 . . . . 3.54 112.986 179.436 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -76.67 -54.87 6.07 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.797 0.808 . . . . 0.83 108.987 177.34 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 93.5 mt -55.14 -46.9 77.77 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.089 0 C-N-CA 125.26 1.424 . . . . 0.65 112.123 -177.493 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.7 HD12 HE21 ' A' ' 80' ' ' GLN . 14.1 tp -51.68 -23.32 4.28 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 127.472 2.309 . . . . 1.74 112.181 -176.14 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -67.5 -41.2 84.87 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.286 0.565 . . . . 1.32 110.863 -178.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -103.28 -56.62 2.18 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-N 116.165 -0.47 . . . . 2.89 111.93 -179.586 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.7 HE21 HD12 ' A' ' 77' ' ' LEU . 95.5 mt-30 60.65 -177.14 0.11 Allowed 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.449 1.1 . . . . 2.23 113.248 -177.002 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.427 -1.596 0 N-CA-C 107.544 -1.28 . . . . 3.38 107.544 179.097 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 101' ' ' SXO . . . . . 0.928 ' H5 ' HG13 ' A' ' 63' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.578 0 CA-C-O 120.548 0.213 . . . . 2.17 110.691 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.432 ' HB1' ' HB2' ' A' ' 6' ' ' GLU . . . -78.21 163.94 25.36 Favored 'General case' 0 C--O 1.214 -0.783 0 C-N-CA 123.903 0.881 . . . . 1.12 110.591 -178.284 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.59 ' O ' HG12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -102.31 -174.2 2.51 Favored 'General case' 0 C--N 1.306 -1.299 0 C-N-CA 119.356 -0.938 . . . . 1.57 112.744 -174.018 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -44.51 -53.88 6.57 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 114.957 1.466 . . . . 1.76 114.957 -169.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -66.68 -40.97 88.77 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.193 0.521 . . . . 3.05 110.39 -176.016 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.432 ' HB2' ' HB1' ' A' ' 2' ' ' ALA . 1.4 mp0 -65.9 -34.48 78.23 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.147 -0.933 . . . . 2.53 109.836 177.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.59 HG12 ' O ' ' A' ' 3' ' ' THR . 44.7 mm -61.57 -57.7 10.92 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.789 0 N-CA-C 108.876 -0.787 . . . . 0.45 108.876 177.212 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 70.9 t -51.18 -51.41 22.7 Favored 'Isoleucine or valine' 0 C--O 1.243 0.736 0 C-N-CA 123.568 0.747 . . . . 0.57 110.625 178.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.45 -32.44 71.38 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.814 -0.63 . . . . 0.48 111.649 179.673 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.456 ' C ' ' HZ ' ' A' ' 54' ' ' PHE . . . -77.83 -40.61 21.19 Favored Glycine 0 C--O 1.216 -0.984 0 N-CA-C 111.473 -0.651 . . . . 0.37 111.473 178.765 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' A' ' 7' ' ' ILE . 95.9 mt -54.39 -46.25 73.05 Favored 'General case' 0 CA--C 1.506 -0.725 0 C-N-CA 123.558 0.743 . . . . 0.33 110.497 -179.452 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.415 ' HB2' ' HB ' ' A' ' 26' ' ' VAL . . . -64.98 -23.66 67.28 Favored 'General case' 0 C--O 1.199 -1.599 0 CA-C-N 115.338 -0.846 . . . . 0.28 112.211 -179.501 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -66.69 -43.2 85.06 Favored 'General case' 0 CA--C 1.503 -0.85 0 CA-C-O 120.719 0.295 . . . . 2.48 110.243 178.118 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.601 HG21 ' HA ' ' A' ' 46' ' ' VAL . 4.2 mp -74.21 -39.92 50.14 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.049 0 N-CA-C 108.604 -0.887 . . . . 0.44 108.604 177.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.447 HG12 ' CG1' ' A' ' 21' ' ' ILE . 40.4 t -65.88 -24.03 33.37 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.378 0 C-N-CA 119.987 -0.685 . . . . 0.34 111.026 179.183 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -71.58 -47.72 52.98 Favored 'General case' 0 C--O 1.213 -0.833 0 CA-C-N 116.313 -0.403 . . . . 0.95 110.742 176.269 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -69.09 -23.77 64.05 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.107 0.479 . . . . 2.11 111.553 -178.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 39.9 mm -89.55 -53.63 8.99 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.067 0 CA-C-N 115.894 -0.594 . . . . 0.71 111.832 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -111.28 -5.78 14.63 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 114.51 1.3 . . . . 0.68 114.51 -172.293 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.3 44.48 74.72 Favored Glycine 0 C--N 1.311 -0.826 0 C-N-CA 120.751 -0.738 . . . . 0.93 113.028 -179.445 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.447 ' CG1' HG12 ' A' ' 15' ' ' VAL . 2.6 pp -94.79 155.92 38.76 Favored Pre-proline 0 C--N 1.306 -1.294 0 O-C-N 122.331 -0.511 . . . . 0.6 111.142 177.734 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_exo -67.76 137.3 41.51 Favored 'Trans proline' 0 N--CA 1.448 -1.175 0 C-N-CA 121.951 1.767 . . . . 0.75 108.803 172.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 35.6 m -85.31 12.4 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.37 0 CA-C-O 122.259 1.028 . . . . 1.48 112.245 -174.369 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -114.96 -2.72 12.78 Favored 'General case' 0 C--N 1.286 -2.175 0 CA-C-N 114.112 -1.404 . . . . 2.03 108.396 176.491 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.444 ' O ' ' HE3' ' A' ' 30' ' ' LYS . 22.2 t70 -80.7 -42.73 21.47 Favored 'General case' 0 CA--C 1.508 -0.647 0 CA-C-N 115.05 -0.977 . . . . 1.07 108.569 -179.027 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.415 ' HB ' ' HB2' ' A' ' 12' ' ' ALA . 44.9 t -74.95 88.43 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.314 -0.976 0 CA-C-N 114.627 -1.17 . . . . 0.73 110.106 -179.131 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.407 ' HA ' ' HD3' ' A' ' 27' ' ' LYS . 32.8 mmtp -115.01 177.54 4.61 Favored 'General case' 0 C--N 1.31 -1.12 0 N-CA-C 108.845 -0.798 . . . . 2.83 108.845 173.178 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -49.89 -33.51 17.46 Favored 'General case' 0 N--CA 1.486 1.325 0 N-CA-C 115.935 1.828 . . . . 1.07 115.935 -170.405 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -88.41 10.47 19.91 Favored 'General case' 0 C--N 1.309 -1.153 0 N-CA-C 113.495 0.924 . . . . 2.47 113.495 -177.107 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.78 ' HD3' ' HB3' ' A' ' 35' ' ' ASP . 45.0 mmtt -93.67 135.02 35.37 Favored 'General case' 0 C--N 1.301 -1.539 0 CA-C-O 120.617 0.246 . . . . 1.06 111.421 178.858 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.697 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 29.5 t -111.04 151.32 28.16 Favored 'General case' 0 C--N 1.308 -1.198 0 N-CA-C 106.376 -1.712 . . . . 1.31 106.376 172.271 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.71 ' HA ' HD12 ' A' ' 36' ' ' LEU . 67.4 m-85 -68.09 -36.25 79.48 Favored 'General case' 0 C--O 1.201 -1.461 0 N-CA-C 114.993 1.479 . . . . 1.03 114.993 -166.276 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.518 ' HB ' ' HB3' ' A' ' 40' ' ' SER . 8.1 t -126.48 35.14 4.69 Favored 'General case' 0 C--N 1.273 -2.729 0 CA-C-O 123.449 1.595 . . . . 1.37 109.434 -175.569 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.474 ' HB2' ' HB3' ' A' ' 31' ' ' SER . 5.5 m-20 -136.8 -63.43 0.61 Allowed 'General case' 0 C--N 1.296 -1.725 0 CA-C-N 113.61 -1.632 . . . . 2.31 107.516 -179.533 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.78 ' HB3' ' HD3' ' A' ' 30' ' ' LYS . 8.1 m-20 -90.34 -20.36 22.97 Favored 'General case' 0 CA--C 1.488 -1.413 0 CA-C-N 115.356 -0.838 . . . . 1.67 110.886 -178.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.71 HD12 ' HA ' ' A' ' 32' ' ' PHE . 57.4 mt -91.37 152.07 20.58 Favored 'General case' 0 N--CA 1.418 -2.037 0 CA-C-O 121.566 0.698 . . . . 0.69 111.243 -179.053 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -98.93 37.99 1.45 Allowed 'General case' 0 C--N 1.291 -1.977 0 CA-C-N 114.38 -1.282 . . . . 2.15 109.935 -172.317 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 14.9 m -105.85 -169.48 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.402 -2.842 0 CA-C-O 121.482 0.658 . . . . 2.23 111.209 -175.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -116.09 119.2 35.08 Favored 'General case' 0 C--N 1.289 -2.05 0 N-CA-C 104.959 -2.237 . . . . 2.96 104.959 169.643 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.518 ' HB3' ' HB ' ' A' ' 33' ' ' THR . 26.3 p -57.64 -33.22 68.07 Favored 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 112.858 0.688 . . . . 1.19 112.858 -176.44 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.0 mp -61.14 -22.42 64.67 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-O 121.506 0.669 . . . . 1.34 110.482 179.419 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 35.0 m -84.39 -17.77 38.26 Favored 'General case' 0 N--CA 1.44 -0.936 0 C-N-CA 123.72 0.808 . . . . 1.26 111.337 179.243 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 36.1 ttp -69.14 -21.15 64.03 Favored 'General case' 0 C--O 1.219 -0.518 0 O-C-N 122.09 -0.382 . . . . 0.97 110.788 -175.711 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 59.6 t -54.35 -48.53 67.99 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.137 0 CA-C-N 116.117 -0.492 . . . . 0.65 109.854 178.059 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -63.35 -29.98 71.2 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.858 0.361 . . . . 2.06 111.317 175.504 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.601 ' HA ' HG21 ' A' ' 14' ' ' ILE . 98.7 t -70.17 -53.41 23.48 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.065 0 CA-C-N 115.938 -0.574 . . . . 1.43 110.244 -179.748 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.519 HG21 HG21 ' A' ' 63' ' ' VAL . 12.7 p -62.13 -38.13 80.15 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 N-CA-C 112.326 0.491 . . . . 0.53 112.326 -177.417 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 14.9 p -70.36 -29.66 39.96 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.799 0 C-N-CA 120.03 -0.668 . . . . 0.65 110.439 178.663 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.466 ' O ' ' HG2' ' A' ' 53' ' ' ARG . . . -76.23 -31.44 58.38 Favored 'General case' 0 C--O 1.213 -0.846 0 N-CA-C 109.32 -0.622 . . . . 0.32 109.32 176.13 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.19 -40.91 97.63 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-N 116.163 -0.471 . . . . 0.36 109.945 178.04 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.663 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 32.2 mt-10 -55.37 -54.13 47.51 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.27 -0.423 . . . . 0.78 111.426 177.764 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -68.35 -44.23 75.7 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.005 -0.543 . . . . 0.96 112.433 -178.102 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.466 ' HG2' ' O ' ' A' ' 49' ' ' ALA . 14.5 mmt85 -75.38 -36.39 60.91 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 111.981 0.363 . . . . 3.85 111.981 -174.312 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.456 ' HZ ' ' C ' ' A' ' 10' ' ' GLY . 79.4 m-85 -96.08 -2.08 47.37 Favored 'General case' 0 CA--C 1.512 -0.504 0 N-CA-C 113.615 0.969 . . . . 0.4 113.615 -176.392 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 68.5 33.89 3.84 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 123.458 0.474 . . . . 1.95 110.694 176.482 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.814 HG11 HG23 ' A' ' 76' ' ' ILE . 7.0 p -144.97 112.71 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.327 0 CA-C-O 121.439 0.638 . . . . 1.37 110.615 -178.452 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp -78.73 132.94 37.15 Favored 'General case' 0 C--N 1.289 -2.051 0 C-N-CA 119.532 -0.867 . . . . 3.34 111.08 176.606 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.457 HG23 ' CE1' ' A' ' 75' ' ' TYR . 51.6 mt -129.71 105.83 17.08 Favored Pre-proline 0 C--N 1.295 -1.768 0 CA-C-N 114.426 -1.261 . . . . 0.57 108.169 -172.74 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.505 ' O ' HG23 ' A' ' 63' ' ' VAL . 48.5 Cg_exo -58.52 123.49 13.7 Favored 'Trans proline' 0 C--O 1.24 0.588 0 C-N-CA 123.128 2.552 . . . . 0.63 111.911 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -54.72 -27.45 40.83 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 114.308 1.225 . . . . 2.3 114.308 -175.79 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -68.91 -38.25 79.45 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 120.552 0.215 . . . . 2.38 111.481 177.194 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -76.35 -34.53 58.96 Favored 'General case' 0 C--O 1.244 0.78 0 CA-C-O 121.205 0.526 . . . . 1.52 109.875 -177.662 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.666 HG13 ' H6A' ' A' ' 101' ' ' SXO . 85.2 t -49.72 -51.55 15.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 CA-C-N 114.003 -1.453 . . . . 0.79 110.992 179.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -65.44 -11.5 43.49 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 123.344 0.657 . . . . 1.24 112.251 -172.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -94.5 -8.51 38.18 Favored 'General case' 0 C--N 1.298 -1.673 0 CA-C-O 121.16 0.505 . . . . 2.07 111.319 -178.627 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.685 ' HB2' ' H4A' ' A' ' 101' ' ' SXO . 96.0 mt -91.63 -176.95 4.65 Favored 'General case' 0 C--N 1.314 -0.953 0 N-CA-C 108.077 -1.083 . . . . 0.6 108.077 176.2 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 40.8 pttt -148.75 -71.84 0.2 Allowed 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 113.718 1.007 . . . . 2.69 113.718 -179.573 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.697 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 66.5 p -80.47 170.73 15.97 Favored 'General case' 0 C--N 1.314 -0.973 0 C-N-CA 119.436 -0.905 . . . . 0.46 110.747 -176.117 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 33.9 m -73.42 -13.65 16.22 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.028 0 N-CA-C 109.671 -0.492 . . . . 0.66 109.671 175.381 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -78.39 -37.9 26.53 Favored Glycine 0 N--CA 1.435 -1.418 0 N-CA-C 109.584 -1.407 . . . . 0.46 109.584 175.29 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -71.56 -32.33 67.99 Favored 'General case' 0 CA--C 1.505 -0.754 0 N-CA-C 108.823 -0.806 . . . . 1.62 108.823 177.762 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.523 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -69.5 -55.02 11.4 Favored 'General case' 0 N--CA 1.431 -1.415 0 CA-C-N 114.607 -1.178 . . . . 0.51 109.762 -179.006 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.655 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 13.8 p -56.57 -39.58 73.72 Favored 'General case' 0 N--CA 1.444 -0.748 0 O-C-N 123.726 0.641 . . . . 0.46 112.02 -178.551 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.8 tppt? -54.4 -44.58 72.45 Favored 'General case' 0 CA--C 1.535 0.377 0 O-C-N 123.909 0.756 . . . . 3.54 110.996 178.078 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.457 ' CE1' HG23 ' A' ' 58' ' ' ILE . 55.9 t80 -73.46 -47.98 37.2 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.087 0.47 . . . . 0.83 110.074 178.102 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.814 HG23 HG11 ' A' ' 56' ' ' VAL . 93.7 mt -52.69 -65.76 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.076 -0.966 . . . . 0.65 111.836 -177.365 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.655 ' HG ' ' O ' ' A' ' 73' ' ' THR . 2.9 pp -64.4 -22.46 66.97 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.733 0.642 . . . . 1.74 112.733 -174.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -75.76 -27.87 58.23 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 121.991 0.901 . . . . 1.32 110.201 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -94.81 -6.65 42.41 Favored 'General case' 0 C--N 1.303 -1.425 0 CA-C-N 115.603 -0.726 . . . . 2.89 109.581 -179.265 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.757 ' HG2' ' HB ' ' A' ' 56' ' ' VAL . 27.1 mt-30 -92.33 164.38 13.53 Favored 'General case' 0 C--O 1.244 0.778 0 CA-C-O 121.629 0.728 . . . . 2.23 111.875 -178.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.429 -1.502 0 N-CA-C 107.916 -1.142 . . . . 3.38 107.916 175.279 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 101' ' ' SXO . . . . . 0.685 ' H4A' ' HB2' ' A' ' 66' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.56 0 N-CA-C 108.975 -0.75 . . . . 2.17 108.975 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.475 ' HB1' ' HB2' ' A' ' 6' ' ' GLU . . . -130.71 168.0 17.89 Favored 'General case' 0 C--N 1.297 -1.701 0 N-CA-C 108.286 -1.005 . . . . 1.12 108.286 -179.469 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.556 ' O ' HG12 ' A' ' 7' ' ' ILE . 4.0 m -105.13 171.28 7.4 Favored 'General case' 0 N--CA 1.427 -1.588 0 C-N-CA 120.353 -0.539 . . . . 1.57 110.537 -176.189 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.515 ' H ' HG22 ' A' ' 3' ' ' THR . 15.3 pt20 -40.1 -46.01 2.08 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 115.78 1.77 . . . . 1.76 115.78 -173.236 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -65.64 -53.17 45.18 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 109.5 -0.556 . . . . 3.05 109.5 -178.178 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.475 ' HB2' ' HB1' ' A' ' 2' ' ' ALA . 1.6 mp0 -62.09 -34.05 75.57 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.191 -0.913 . . . . 2.53 110.159 178.568 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.556 HG12 ' O ' ' A' ' 3' ' ' THR . 35.1 mm -61.17 -56.21 19.42 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.724 0 CA-C-N 116.211 -0.45 . . . . 0.45 109.855 177.698 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.541 ' HA ' HD12 ' A' ' 11' ' ' LEU . 85.4 t -59.11 -38.53 74.71 Favored 'Isoleucine or valine' 0 C--O 1.242 0.701 0 CA-C-O 120.811 0.339 . . . . 0.57 111.15 -179.756 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.07 -37.74 88.55 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.216 0.532 . . . . 0.48 110.108 176.354 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.452 ' O ' ' HG2' ' A' ' 13' ' ' GLU . . . -71.73 -26.68 72.35 Favored Glycine 0 C--O 1.207 -1.55 0 N-CA-C 111.268 -0.733 . . . . 0.37 111.268 178.839 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.541 HD12 ' HA ' ' A' ' 8' ' ' VAL . 96.4 mt -66.18 -44.7 83.25 Favored 'General case' 0 C--N 1.309 -1.178 0 N-CA-C 109.102 -0.703 . . . . 0.33 109.102 175.766 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.22 -27.65 69.5 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 113.623 0.972 . . . . 0.28 113.623 -176.716 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.715 ' HG3' HD12 ' A' ' 14' ' ' ILE . 10.8 pt-20 -67.92 -31.79 71.8 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 119.774 -0.77 . . . . 2.48 111.081 179.276 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.715 HD12 ' HG3' ' A' ' 13' ' ' GLU . 3.7 mp -86.38 -41.85 15.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 108.694 -0.854 . . . . 0.44 108.694 174.722 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.521 HG12 HG13 ' A' ' 21' ' ' ILE . 84.0 t -61.66 -31.74 51.66 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.244 0 N-CA-C 112.958 0.725 . . . . 0.34 112.958 -178.257 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -71.98 -30.98 65.83 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 121.28 -0.888 . . . . 0.95 110.113 175.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -70.23 -41.96 72.88 Favored 'General case' 0 C--N 1.31 -1.136 0 N-CA-C 109.154 -0.684 . . . . 2.11 109.154 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.425 HG13 HG22 ' A' ' 46' ' ' VAL . 47.2 mm -80.73 -53.47 12.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.4 -0.818 . . . . 0.71 112.228 -176.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -103.69 -49.06 3.76 Favored 'General case' 0 C--N 1.306 -1.296 0 CA-C-O 121.149 0.499 . . . . 0.68 111.132 -175.281 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 101.11 43.75 2.16 Favored Glycine 0 C--N 1.304 -1.202 0 C-N-CA 119.823 -1.179 . . . . 0.93 112.848 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.521 HG13 HG12 ' A' ' 15' ' ' VAL . 1.6 pp -82.31 162.2 57.18 Favored Pre-proline 0 C--N 1.301 -1.519 0 O-C-N 122.998 -0.119 . . . . 0.6 110.751 175.554 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.487 ' HB2' ' HB2' ' A' ' 25' ' ' ASP . 15.1 Cg_exo -71.09 127.43 13.53 Favored 'Trans proline' 0 N--CA 1.442 -1.536 0 N-CA-C 108.135 -1.525 . . . . 0.75 108.135 173.226 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.1 m -76.65 -5.81 8.01 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.385 0 N-CA-C 112.741 0.645 . . . . 1.48 112.741 -175.121 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -88.1 -21.73 24.53 Favored 'General case' 0 C--N 1.314 -0.947 0 N-CA-C 107.552 -1.277 . . . . 2.03 107.552 174.407 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.487 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 20.2 t70 -82.09 -30.54 31.19 Favored 'General case' 0 C--N 1.307 -1.282 0 CA-C-N 115.01 -0.996 . . . . 1.07 110.831 -172.061 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.551 ' HA ' ' HG3' ' A' ' 30' ' ' LYS . 22.0 t -75.75 83.09 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.313 -0.991 0 CA-C-N 115.282 -0.872 . . . . 0.73 109.95 -178.77 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -100.6 177.79 4.9 Favored 'General case' 0 C--N 1.297 -1.677 0 CA-C-N 114.542 -1.208 . . . . 2.83 108.651 177.539 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.475 HD11 ' HB2' ' A' ' 4' ' ' GLN . 4.2 mm? -59.6 -21.31 60.21 Favored 'General case' 0 N--CA 1.492 1.638 0 N-CA-C 112.865 0.691 . . . . 1.07 112.865 178.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -90.61 32.61 0.96 Allowed 'General case' 0 C--N 1.305 -1.361 0 CA-C-O 120.952 0.406 . . . . 2.47 111.457 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.551 ' HG3' ' HA ' ' A' ' 26' ' ' VAL . 71.6 mmtt -115.47 171.74 7.53 Favored 'General case' 0 C--N 1.303 -1.456 0 CA-C-O 121.717 0.77 . . . . 1.06 112.994 179.68 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.457 ' HB2' HG22 ' A' ' 68' ' ' THR . 19.9 t -149.93 153.52 36.76 Favored 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 105.186 -2.153 . . . . 1.31 105.186 178.273 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -67.37 -51.98 45.53 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 113.442 0.904 . . . . 1.03 113.442 -169.26 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.552 ' HB ' ' O ' ' A' ' 38' ' ' VAL . 11.5 t -123.18 19.49 9.88 Favored 'General case' 0 C--N 1.285 -2.223 0 C-N-CA 118.514 -1.274 . . . . 1.37 110.778 -179.413 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -116.24 -39.78 3.36 Favored 'General case' 0 C--N 1.3 -1.573 0 C-N-CA 119.314 -0.954 . . . . 2.31 110.722 179.019 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -107.61 -29.15 9.32 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 108.81 -0.811 . . . . 1.67 108.81 177.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 93.7 mt -100.04 -171.23 2.0 Favored 'General case' 0 C--O 1.24 0.573 0 N-CA-C 109.236 -0.653 . . . . 0.69 109.236 177.613 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -128.95 78.41 1.85 Allowed 'General case' 0 C--N 1.308 -1.212 0 N-CA-C 107.439 -1.319 . . . . 2.15 107.439 -178.708 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.552 ' O ' ' HB ' ' A' ' 33' ' ' THR . 25.3 t -137.94 113.82 10.61 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.435 0 CA-C-N 114.011 -1.449 . . . . 2.23 107.881 -177.43 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -56.16 122.95 12.9 Favored 'General case' 0 CA--C 1.507 -0.69 0 N-CA-C 109.505 -0.554 . . . . 2.96 109.505 175.212 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.451 ' HA ' ' HB2' ' A' ' 43' ' ' MET . 75.3 p -66.6 -32.42 73.74 Favored 'General case' 0 C--N 1.304 -1.404 0 CA-C-O 121.157 0.503 . . . . 1.19 112.238 -175.007 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -61.25 -33.14 73.04 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-O 121.845 0.831 . . . . 1.34 108.986 176.347 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 32.8 m -84.8 -17.41 38.26 Favored 'General case' 0 N--CA 1.44 -0.93 0 C-N-CA 124.537 1.135 . . . . 1.26 111.612 177.695 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.451 ' HB2' ' HA ' ' A' ' 40' ' ' SER . 8.4 tmm? -69.32 -22.23 63.79 Favored 'General case' 0 C--O 1.217 -0.64 0 N-CA-C 107.952 -1.129 . . . . 0.97 107.952 179.714 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.493 ' HA ' HG12 ' A' ' 47' ' ' VAL . 40.4 t -63.75 -23.79 34.2 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.448 0 CA-C-N 115.329 -0.85 . . . . 0.65 110.056 176.557 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -82.68 -21.98 34.72 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-O 121.717 0.77 . . . . 2.06 109.153 175.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.448 ' HA ' HG21 ' A' ' 14' ' ' ILE . 86.0 t -76.76 -57.35 6.09 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 N-CA-C 108.579 -0.897 . . . . 1.43 108.579 177.675 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.531 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 9.8 p -51.78 -41.21 29.06 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.632 0 N-CA-C 113.079 0.77 . . . . 0.53 113.079 -177.635 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 11.1 p -63.86 -32.43 57.04 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.789 0 C-N-CA 120.57 -0.452 . . . . 0.65 111.129 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.54 ' O ' ' HB2' ' A' ' 53' ' ' ARG . . . -86.01 -16.74 37.29 Favored 'General case' 0 C--O 1.213 -0.816 0 CA-C-N 115.878 -0.601 . . . . 0.32 109.999 179.121 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -81.54 -37.8 27.2 Favored 'General case' 0 C--N 1.306 -1.304 0 CA-C-N 116.025 -0.534 . . . . 0.36 110.008 177.741 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.531 ' HG3' ' O ' ' A' ' 47' ' ' VAL . 44.1 mt-10 -55.99 -43.29 77.51 Favored 'General case' 0 C--O 1.241 0.651 0 CA-C-O 121.341 0.591 . . . . 0.78 111.215 178.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.77 -32.01 59.74 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.389 -0.823 . . . . 0.96 111.238 179.002 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.54 ' HB2' ' O ' ' A' ' 49' ' ' ALA . 2.5 tpp180 -70.94 -47.33 59.62 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.259 -0.882 . . . . 3.85 110.769 -174.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.552 ' HB2' HG12 ' A' ' 56' ' ' VAL . 65.6 m-85 -97.6 -10.58 24.87 Favored 'General case' 0 C--N 1.311 -1.093 0 N-CA-C 113.184 0.809 . . . . 0.4 113.184 -174.441 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 70.41 50.13 0.41 Allowed 'General case' 0 N--CA 1.494 1.742 0 CA-C-O 121.613 0.72 . . . . 1.95 110.53 -176.662 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.933 HG11 HG23 ' A' ' 76' ' ' ILE . 3.1 p -147.77 106.79 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.297 -1.712 0 CA-C-N 114.993 -1.003 . . . . 1.37 109.7 -179.466 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 59.6 pttt -72.92 131.41 42.18 Favored 'General case' 0 C--N 1.291 -1.935 0 CA-C-N 115.522 -0.763 . . . . 3.34 109.383 177.336 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 59.4 mt -125.01 97.87 37.29 Favored Pre-proline 0 C--N 1.288 -2.105 0 CA-C-N 114.819 -1.082 . . . . 0.57 108.374 -175.25 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.417 ' HD2' ' HB2' ' A' ' 62' ' ' ASP . 33.0 Cg_exo -62.74 156.29 54.15 Favored 'Trans proline' 0 C--O 1.248 0.986 0 C-N-CA 122.397 2.065 . . . . 0.63 110.442 177.445 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.569 ' HA ' HG12 ' A' ' 63' ' ' VAL . 24.4 t70 -57.57 -38.73 75.29 Favored 'General case' 0 C--N 1.305 -1.364 0 CA-C-O 121.358 0.599 . . . . 2.3 111.292 -178.222 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -61.96 -36.7 82.2 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 115.484 -0.78 . . . . 2.38 111.491 177.121 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.417 ' HB2' ' HD2' ' A' ' 59' ' ' PRO . 1.7 m-20 -80.36 -32.92 37.65 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.894 -0.594 . . . . 1.52 112.462 -179.834 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.569 HG12 ' HA ' ' A' ' 60' ' ' ASP . 7.9 p -69.47 -45.24 78.94 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.499 0 CA-C-O 121.101 0.477 . . . . 0.79 110.355 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -64.77 -13.39 55.1 Favored 'General case' 0 C--N 1.31 -1.152 0 CA-C-N 115.284 -0.871 . . . . 1.24 112.554 177.547 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -83.05 -19.54 36.68 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-O 121.133 0.492 . . . . 2.07 110.426 -178.612 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.587 HD13 ' HA ' ' A' ' 72' ' ' ALA . 77.0 mt -95.86 174.5 6.92 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 116.169 -0.469 . . . . 0.6 110.338 -174.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -143.71 -58.25 0.4 Allowed 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 113.9 1.074 . . . . 2.69 113.9 -178.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.457 HG22 ' HB2' ' A' ' 31' ' ' SER . 64.0 p -99.21 -175.61 3.07 Favored 'General case' 0 N--CA 1.437 -1.121 0 O-C-N 121.674 -0.641 . . . . 0.46 109.556 -177.234 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.457 HG22 ' O ' ' A' ' 30' ' ' LYS . 33.4 m -84.62 -24.73 7.22 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.118 0 C-N-CA 119.727 -0.789 . . . . 0.66 109.752 177.186 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -82.51 -21.99 59.2 Favored Glycine 0 C--N 1.34 0.796 0 N-CA-C 110.691 -0.964 . . . . 0.46 110.691 178.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -78.83 -34.81 44.89 Favored 'General case' 0 C--N 1.305 -1.367 0 CA-C-N 114.873 -0.664 . . . . 1.62 109.29 175.564 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.587 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -77.05 -42.44 38.42 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 114.934 -1.03 . . . . 0.51 112.966 -177.374 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.546 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 1.6 p -49.47 -42.71 43.93 Favored 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 113.429 0.9 . . . . 0.46 113.429 -176.426 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -60.74 -44.13 97.05 Favored 'General case' 0 C--O 1.217 -0.612 0 O-C-N 123.645 0.59 . . . . 3.54 111.471 -178.717 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -65.28 -43.91 89.7 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.01 0.433 . . . . 0.83 110.003 177.731 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.933 HG23 HG11 ' A' ' 56' ' ' VAL . 93.5 mt -58.02 -65.78 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 114.769 -1.105 . . . . 0.65 111.036 -178.338 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.557 ' HA ' ' NE2' ' A' ' 80' ' ' GLN . 3.4 pp -61.83 -22.61 65.64 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 113.184 0.809 . . . . 1.74 113.184 -175.569 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -78.53 -32.59 48.03 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-N 115.932 -0.576 . . . . 1.32 111.026 179.082 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.834 ' HB3' HG23 ' A' ' 56' ' ' VAL . 13.0 t-80 -98.68 -5.04 32.39 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 116.168 -0.469 . . . . 2.89 110.538 -173.328 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.589 ' HG3' ' O ' ' A' ' 76' ' ' ILE . 23.1 mt-30 -66.43 141.67 57.84 Favored 'General case' 0 CA--C 1.495 -1.139 0 N-CA-C 113.471 0.915 . . . . 2.23 113.471 -178.481 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.434 -1.243 0 CA-C-N 113.971 -1.468 . . . . 3.38 107.663 175.317 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 101' ' ' SXO . . . . . 0.464 ' N36' H28A ' A' ' 101' ' ' SXO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.546 ' N ' ' HB3' ' A' ' 55' ' ' ASP . . . . . . . . 0 N--CA 1.449 -0.52 0 N-CA-C 109.559 -0.534 . . . . 2.17 109.559 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.433 ' HB3' HD13 ' A' ' 7' ' ' ILE . . . -105.7 145.06 31.58 Favored 'General case' 0 N--CA 1.432 -1.333 0 N-CA-C 108.342 -0.984 . . . . 1.12 108.342 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.422 ' O ' HG12 ' A' ' 7' ' ' ILE . 4.0 m -92.55 166.66 12.4 Favored 'General case' 0 C--N 1.281 -2.374 0 C-N-CA 118.387 -1.325 . . . . 1.57 109.703 -177.209 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -43.92 -51.64 7.45 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 114.997 1.48 . . . . 1.76 114.997 -170.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -63.53 -29.32 70.6 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-O 121.666 0.746 . . . . 3.05 111.34 -178.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -85.79 -30.56 22.92 Favored 'General case' 0 N--CA 1.432 -1.353 0 CA-C-N 115.148 -0.933 . . . . 2.53 109.157 -178.642 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.5 HG21 HG22 ' A' ' 73' ' ' THR . 37.1 mm -63.14 -60.63 2.46 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.702 0 N-CA-C 108.343 -0.984 . . . . 0.45 108.343 175.151 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 97.9 t -52.13 -50.37 36.04 Favored 'Isoleucine or valine' 0 C--O 1.244 0.806 0 C-N-CA 123.775 0.83 . . . . 0.57 111.458 -178.106 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.57 -42.32 82.82 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.202 -0.454 . . . . 0.48 111.16 179.561 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -71.16 -41.21 60.49 Favored Glycine 0 N--CA 1.436 -1.36 0 CA-C-N 115.849 -0.614 . . . . 0.37 111.574 -178.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' A' ' 7' ' ' ILE . 91.5 mt -54.46 -47.98 72.28 Favored 'General case' 0 CA--C 1.507 -0.707 0 C-N-CA 123.142 0.577 . . . . 0.33 110.442 178.877 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.72 -23.52 67.4 Favored 'General case' 0 N--CA 1.44 -0.973 0 CA-C-N 115.38 -0.827 . . . . 0.28 112.601 -178.108 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -63.89 -49.23 73.51 Favored 'General case' 0 C--O 1.245 0.841 0 CA-C-O 120.776 0.322 . . . . 2.48 110.564 177.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.74 HG21 ' HA ' ' A' ' 46' ' ' VAL . 3.9 mp -72.69 -42.43 62.28 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.05 0 N-CA-C 108.542 -0.91 . . . . 0.44 108.542 179.507 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.433 HG12 ' CG1' ' A' ' 21' ' ' ILE . 88.8 t -59.1 -40.45 80.91 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.827 0 N-CA-C 112.457 0.54 . . . . 0.34 112.457 -178.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.474 ' HA ' ' H ' ' A' ' 21' ' ' ILE . 50.1 t-20 -65.84 -41.37 91.81 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.456 -0.572 . . . . 0.95 109.456 178.301 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -67.25 -46.41 73.82 Favored 'General case' 0 C--N 1.309 -1.191 0 CA-C-O 121.47 0.653 . . . . 2.11 110.447 -179.632 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 28.4 mm -70.92 -53.76 20.44 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.079 0 CA-C-N 115.598 -0.728 . . . . 0.71 112.519 -176.622 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -115.98 -35.17 4.51 Favored 'General case' 0 C--N 1.309 -1.173 0 N-CA-C 112.633 0.605 . . . . 0.68 112.633 -173.399 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.72 95.59 2.12 Favored Glycine 0 N--CA 1.436 -1.31 0 C-N-CA 119.77 -1.205 . . . . 0.93 112.243 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.474 ' H ' ' HA ' ' A' ' 16' ' ' ASN . 2.5 pp -132.27 160.95 65.85 Favored Pre-proline 0 C--N 1.297 -1.713 0 N-CA-C 109.255 -0.646 . . . . 0.6 109.255 176.503 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.45 ' HB2' ' HB2' ' A' ' 25' ' ' ASP . 15.9 Cg_exo -73.86 142.81 32.27 Favored 'Trans proline' 0 CA--C 1.548 1.193 0 C-N-CA 122.095 1.864 . . . . 0.75 110.604 172.51 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 32.1 m -80.04 7.92 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 N-CA-C 113.041 0.756 . . . . 1.48 113.041 -174.219 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -130.44 9.22 5.1 Favored 'General case' 0 C--N 1.294 -1.805 0 N-CA-C 108.559 -0.904 . . . . 2.03 108.559 177.255 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.604 ' O ' ' HE3' ' A' ' 30' ' ' LYS . 25.8 t70 -92.24 -33.7 14.56 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-O 121.413 0.625 . . . . 1.07 110.709 -176.286 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.521 ' HA ' ' HG3' ' A' ' 30' ' ' LYS . 45.2 t -77.0 88.95 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.296 -1.728 0 CA-C-N 115.217 -0.901 . . . . 0.73 111.956 -174.691 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -94.39 -174.0 3.22 Favored 'General case' 0 C--N 1.306 -1.304 0 N-CA-C 106.732 -1.581 . . . . 2.83 106.732 167.18 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.528 HD12 ' HA2' ' A' ' 70' ' ' GLY . 3.1 mm? -68.72 -31.81 71.15 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 118.506 0.594 . . . . 1.07 111.882 -174.845 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -81.65 36.91 0.45 Allowed 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.806 0.842 . . . . 2.47 111.49 -176.746 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.604 ' HE3' ' O ' ' A' ' 25' ' ' ASP . 60.3 mmtt -122.54 121.11 35.75 Favored 'General case' 0 C--N 1.314 -0.936 0 C-N-CA 123.609 0.763 . . . . 1.06 109.993 -179.8 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.656 ' HB2' HG22 ' A' ' 68' ' ' THR . 32.4 t -104.53 141.55 36.19 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 108.552 -0.907 . . . . 1.31 108.552 177.503 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.614 ' HA ' HD12 ' A' ' 36' ' ' LEU . 98.4 m-85 -56.34 -44.65 80.26 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 114.509 1.299 . . . . 1.03 114.509 -168.511 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.471 HG22 H43A ' A' ' 101' ' ' SXO . 9.5 t -122.28 41.13 3.49 Favored 'General case' 0 C--N 1.285 -2.199 0 CA-C-O 122.575 1.179 . . . . 1.37 110.792 -179.4 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.412 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 13.6 t70 -137.03 -61.38 0.66 Allowed 'General case' 0 C--N 1.294 -1.832 0 N-CA-C 107.887 -1.153 . . . . 2.31 107.887 174.603 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -87.48 -35.84 18.0 Favored 'General case' 0 CA--C 1.491 -1.303 0 CA-C-N 114.524 -1.216 . . . . 1.67 109.109 179.7 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.614 HD12 ' HA ' ' A' ' 32' ' ' PHE . 84.3 mt -92.83 156.74 16.79 Favored 'General case' 0 N--CA 1.43 -1.433 0 CA-C-N 115.458 -0.792 . . . . 0.69 110.316 -175.448 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -93.9 40.71 1.08 Allowed 'General case' 0 C--N 1.309 -1.161 0 CA-C-O 122.638 1.209 . . . . 2.15 108.954 -177.388 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.484 HG23 ' HB3' ' A' ' 36' ' ' LEU . 39.5 t -99.15 115.37 39.63 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.437 0 CA-C-N 115.269 -0.878 . . . . 2.23 110.846 -175.104 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -58.46 118.62 5.79 Favored 'General case' 0 CA--C 1.509 -0.625 0 N-CA-C 105.959 -1.867 . . . . 2.96 105.959 168.546 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . 0.417 2.8 p -67.32 -30.0 69.72 Favored 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 117.767 2.506 . . . . 1.19 117.767 -170.84 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.9 mp -64.75 -24.09 67.45 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 118.791 -1.164 . . . . 1.34 110.442 172.642 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.3 m -84.17 -14.35 50.4 Favored 'General case' 0 N--CA 1.43 -1.435 0 CA-C-N 115.618 -0.719 . . . . 1.26 110.8 179.652 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.515 ' HE1' ' H5A' ' A' ' 101' ' ' SXO . 5.1 tmm? -72.39 -23.11 61.06 Favored 'General case' 0 C--O 1.215 -0.74 0 N-CA-C 107.815 -1.18 . . . . 0.97 107.815 179.256 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.517 ' HA ' HG12 ' A' ' 47' ' ' VAL . 47.9 t -62.64 -28.12 44.22 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.256 0 CA-C-N 115.821 -0.627 . . . . 0.65 110.201 177.737 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -74.73 -25.17 58.93 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.7 -0.852 . . . . 2.06 108.7 178.248 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.74 ' HA ' HG21 ' A' ' 14' ' ' ILE . 59.7 t -76.71 -60.63 2.16 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 CA-C-N 114.929 -1.032 . . . . 1.43 108.939 179.503 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.517 HG12 ' HA ' ' A' ' 44' ' ' VAL . 11.8 p -52.91 -42.05 42.24 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.105 0 N-CA-C 113.113 0.783 . . . . 0.53 113.113 -177.166 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 9.0 p -68.47 -26.67 34.08 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.13 0 CA-C-O 121.327 0.584 . . . . 0.65 111.179 -178.42 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -86.3 -26.84 24.71 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.767 0.794 . . . . 0.32 109.685 178.237 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.52 -36.87 76.84 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-N 115.506 -0.77 . . . . 0.36 111.039 -179.625 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -50.78 -56.68 10.96 Favored 'General case' 0 CA--C 1.533 0.315 0 O-C-N 123.713 0.633 . . . . 0.78 111.622 179.447 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -66.98 -39.91 87.3 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 115.621 -0.718 . . . . 0.96 112.832 -178.4 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -70.89 -38.97 73.06 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.704 0.631 . . . . 3.85 112.704 -174.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -94.01 -11.4 30.87 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.03 0.381 . . . . 0.4 112.03 -177.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.546 ' HB3' ' N ' ' A' ' 1' ' ' ALA . 38.6 t70 69.79 68.81 0.24 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 122.448 1.118 . . . . 1.95 110.329 -177.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.773 ' HB ' ' HG2' ' A' ' 80' ' ' GLN . 13.7 p -155.01 163.65 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.402 0 CA-C-N 114.04 -1.437 . . . . 1.37 107.208 -179.77 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.413 ' HE3' ' HB3' ' A' ' 57' ' ' LYS . 22.5 mtpp -129.76 131.59 46.3 Favored 'General case' 0 C--N 1.291 -1.96 0 N-CA-C 109.638 -0.504 . . . . 3.34 109.638 172.393 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 61.4 mt -125.03 105.73 28.94 Favored Pre-proline 0 C--N 1.297 -1.711 0 CA-C-N 115.281 -0.872 . . . . 0.57 108.767 -176.172 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.445 ' O ' HG23 ' A' ' 63' ' ' VAL . 15.2 Cg_exo -71.16 156.89 58.72 Favored 'Trans proline' 0 N--CA 1.461 -0.431 0 C-N-CA 123.362 2.708 . . . . 0.63 112.238 179.307 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -45.26 -43.08 10.18 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 125.716 1.606 . . . . 2.3 112.325 -178.66 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -67.75 -27.84 67.12 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 115.644 -0.707 . . . . 2.38 111.834 -177.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.426 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 37.0 m-20 -86.59 -37.58 17.97 Favored 'General case' 0 C--N 1.308 -1.209 0 O-C-N 122.12 -0.363 . . . . 1.52 110.757 178.689 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.544 ' O ' ' H2 ' ' A' ' 101' ' ' SXO . 87.5 t -53.39 -52.65 30.03 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.08 0 O-C-N 123.728 0.642 . . . . 0.79 109.481 177.588 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.719 ' HG2' ' H37' ' A' ' 101' ' ' SXO . 88.8 mttt -72.42 -9.64 58.78 Favored 'General case' 0 C--N 1.31 -1.139 0 N-CA-C 113.109 0.781 . . . . 1.24 113.109 -177.764 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -91.91 -31.04 15.82 Favored 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 111.91 0.337 . . . . 2.07 111.91 -176.426 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.474 HD13 ' HA ' ' A' ' 72' ' ' ALA . 60.4 mt -73.04 175.4 6.71 Favored 'General case' 0 C--N 1.319 -0.755 0 C-N-CA 121.33 -0.148 . . . . 0.6 110.797 -175.408 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -141.18 -68.89 0.39 Allowed 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 113.408 0.892 . . . . 2.69 113.408 -178.228 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.656 HG22 ' HB2' ' A' ' 31' ' ' SER . 36.0 p -93.34 178.62 5.66 Favored 'General case' 0 N--CA 1.435 -1.183 0 N-CA-C 109.465 -0.568 . . . . 0.46 109.465 178.245 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.483 ' O ' HG23 ' A' ' 73' ' ' THR . 34.3 m -75.35 -26.15 18.41 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.299 0 N-CA-C 108.759 -0.83 . . . . 0.66 108.759 173.574 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.528 ' HA2' HD12 ' A' ' 28' ' ' LEU . . . -69.77 -46.2 54.68 Favored Glycine 0 N--CA 1.44 -1.051 0 N-CA-C 110.264 -1.135 . . . . 0.46 110.264 176.419 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -62.31 -28.84 70.01 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-O 121.717 0.77 . . . . 1.62 109.734 178.731 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.474 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -78.9 -45.8 19.81 Favored 'General case' 0 N--CA 1.43 -1.439 0 CA-C-N 115.034 -0.985 . . . . 0.51 110.811 -179.558 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.5 HG22 HG21 ' A' ' 7' ' ' ILE . 38.8 p -51.41 -38.34 53.0 Favored 'General case' 0 C--N 1.351 0.649 0 N-CA-C 113.608 0.966 . . . . 0.46 113.608 -176.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.7 tmtt? -63.01 -53.2 57.64 Favored 'General case' 0 C--O 1.211 -0.93 0 N-CA-C 108.603 -0.888 . . . . 3.54 108.603 179.336 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -59.35 -45.13 92.26 Favored 'General case' 0 N--CA 1.466 0.335 0 O-C-N 123.201 0.313 . . . . 0.83 111.157 -178.643 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.614 HD11 ' H8B' ' A' ' 101' ' ' SXO . 79.5 mt -57.6 -64.34 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 109.434 -0.58 . . . . 0.65 109.434 179.717 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 49.9 tp -55.1 -29.09 56.9 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.751 0.821 . . . . 1.74 111.752 -178.069 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -74.82 -43.96 51.86 Favored 'General case' 0 C--N 1.309 -1.168 0 CA-C-N 115.453 -0.794 . . . . 1.32 110.861 -179.627 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 24.7 t-80 -90.45 -19.51 23.81 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.815 -0.629 . . . . 2.89 111.81 -172.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.773 ' HG2' ' HB ' ' A' ' 56' ' ' VAL . 23.2 mt-30 -53.64 122.92 10.82 Favored 'General case' 0 N--CA 1.482 1.171 0 N-CA-C 114.04 1.126 . . . . 2.23 114.04 -178.74 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.092 0 C-N-CA 127.579 2.351 . . . . 3.38 104.993 176.662 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 101' ' ' SXO . . . . . 0.719 ' H37' ' HG2' ' A' ' 64' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.558 0 CA-C-O 120.548 0.213 . . . . 2.17 110.922 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -158.54 152.4 23.58 Favored 'General case' 0 CA--C 1.516 -0.365 0 N-CA-C 108.821 -0.807 . . . . 1.12 108.821 178.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.698 ' O ' HG12 ' A' ' 7' ' ' ILE . 1.2 m -109.65 -162.45 0.81 Allowed 'General case' 0 C--N 1.313 -1.005 0 CA-C-O 118.666 -0.683 . . . . 1.57 110.082 179.741 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.472 ' H ' HG22 ' A' ' 3' ' ' THR . 54.1 tt0 -53.85 -56.73 14.96 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 115.01 1.485 . . . . 1.76 115.01 -165.65 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -67.22 -35.98 80.71 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 120.893 0.378 . . . . 3.05 110.777 -176.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -68.55 -32.18 71.93 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 115.576 -0.738 . . . . 2.53 111.196 177.738 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.698 HG12 ' O ' ' A' ' 3' ' ' THR . 43.0 mm -67.88 -51.68 47.47 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.544 0 N-CA-C 107.884 -1.154 . . . . 0.45 107.884 177.743 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.531 HG11 ' HD3' ' A' ' 27' ' ' LYS . 56.5 t -49.06 -47.48 17.31 Favored 'Isoleucine or valine' 0 C--O 1.242 0.688 0 C-N-CA 123.994 0.918 . . . . 0.57 111.092 177.58 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.416 ' O ' ' HG3' ' A' ' 13' ' ' GLU . . . -61.84 -44.41 96.9 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.834 -0.621 . . . . 0.48 111.174 179.476 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -69.08 -37.29 82.29 Favored Glycine 0 N--CA 1.445 -0.743 0 CA-C-N 115.9 -0.591 . . . . 0.37 111.93 -177.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 7' ' ' ILE . 91.3 mt -57.28 -46.61 82.94 Favored 'General case' 0 CA--C 1.506 -0.725 0 CA-C-O 121.047 0.451 . . . . 0.33 110.032 178.286 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.641 ' HB2' ' HB ' ' A' ' 26' ' ' VAL . . . -70.63 -24.85 62.8 Favored 'General case' 0 N--CA 1.429 -1.488 0 CA-C-N 115.619 -0.719 . . . . 0.28 111.816 -179.086 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.416 ' HG3' ' O ' ' A' ' 9' ' ' ALA . 47.3 mt-10 -61.47 -47.28 86.38 Favored 'General case' 0 CA--C 1.509 -0.63 0 C-N-CA 121.04 -0.264 . . . . 2.48 110.444 176.042 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.512 HG21 ' HA ' ' A' ' 46' ' ' VAL . 3.1 mp -73.26 -44.01 56.08 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.882 0 C-N-CA 119.734 -0.786 . . . . 0.44 109.584 177.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.493 HG12 HG13 ' A' ' 21' ' ' ILE . 48.3 t -63.58 -23.72 34.05 Favored 'Isoleucine or valine' 0 CA--C 1.571 1.763 0 C-N-CA 120.107 -0.637 . . . . 0.34 112.268 -179.323 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -70.14 -39.46 75.39 Favored 'General case' 0 N--CA 1.477 0.899 0 O-C-N 121.466 -0.771 . . . . 0.95 110.977 176.502 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -79.19 -28.73 42.65 Favored 'General case' 0 C--N 1.318 -0.769 0 C-N-CA 119.735 -0.786 . . . . 2.11 111.176 179.407 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 46.2 mm -81.95 -53.78 11.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 116.497 -0.32 . . . . 0.71 111.687 179.592 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -107.38 -18.23 13.92 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 113.378 0.881 . . . . 0.68 113.378 -173.132 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.54 24.95 40.8 Favored Glycine 0 C--N 1.318 -0.468 0 C-N-CA 120.669 -0.777 . . . . 0.93 113.568 177.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.493 HG13 HG12 ' A' ' 15' ' ' VAL . 2.5 pp -80.3 155.1 74.54 Favored Pre-proline 0 C--N 1.311 -1.068 0 N-CA-C 112.017 0.377 . . . . 0.6 112.017 -179.809 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_exo -65.37 148.3 88.09 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 122.075 1.85 . . . . 0.75 109.274 172.123 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.432 HG23 ' HB3' ' A' ' 12' ' ' ALA . 13.1 p -71.22 -16.8 19.55 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.018 0 CA-C-O 121.701 0.762 . . . . 1.48 111.228 -176.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -87.78 -6.58 58.09 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.851 -0.613 . . . . 2.03 110.463 176.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.497 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 35.6 t70 -79.36 -43.39 23.57 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-O 120.742 0.306 . . . . 1.07 111.335 -174.823 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.641 ' HB ' ' HB2' ' A' ' 12' ' ' ALA . 70.3 t -82.1 92.67 2.41 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.061 0 N-CA-C 109.172 -0.677 . . . . 0.73 109.172 179.124 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.531 ' HD3' HG11 ' A' ' 8' ' ' VAL . 53.1 mmtt -125.6 176.95 6.51 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 115.432 -0.804 . . . . 2.83 109.928 179.048 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.585 HD12 ' HA2' ' A' ' 70' ' ' GLY . 3.1 mm? -54.89 -35.51 64.18 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.931 0.892 . . . . 1.07 112.777 -172.46 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -77.59 -3.77 42.48 Favored 'General case' 0 C--N 1.316 -0.883 0 C-N-CA 123.588 0.755 . . . . 2.47 112.601 -175.533 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.497 ' HG3' ' O ' ' A' ' 25' ' ' ASP . 35.8 mmtp -103.03 142.24 34.45 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 122.207 -0.308 . . . . 1.06 111.299 -176.562 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.682 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 26.8 t -108.73 149.73 28.6 Favored 'General case' 0 C--O 1.255 1.359 0 N-CA-C 107.579 -1.267 . . . . 1.31 107.579 168.737 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.635 ' HA ' HD12 ' A' ' 36' ' ' LEU . 65.8 m-85 -61.71 -49.82 74.93 Favored 'General case' 0 C--O 1.215 -0.713 0 N-CA-C 115.089 1.515 . . . . 1.03 115.089 -167.71 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.596 HG21 ' HB3' ' A' ' 40' ' ' SER . 13.5 t -119.06 46.07 1.96 Allowed 'General case' 0 C--N 1.295 -1.796 0 C-N-CA 117.912 -1.515 . . . . 1.37 110.308 177.154 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.595 ' HB2' ' HB3' ' A' ' 31' ' ' SER . 22.4 m-20 -136.05 -47.84 0.66 Allowed 'General case' 0 CA--C 1.496 -1.119 0 CA-C-N 114.035 -1.439 . . . . 2.31 108.498 175.663 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -107.86 -32.22 7.69 Favored 'General case' 0 CA--C 1.481 -1.685 0 CA-C-N 115.294 -0.866 . . . . 1.67 110.322 -178.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.635 HD12 ' HA ' ' A' ' 32' ' ' PHE . 77.2 mt -89.69 156.26 18.67 Favored 'General case' 0 N--CA 1.426 -1.633 0 N-CA-C 107.875 -1.157 . . . . 0.69 107.875 178.344 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -92.88 18.84 8.4 Favored 'General case' 0 C--N 1.302 -1.498 0 CA-C-O 122.828 1.299 . . . . 2.15 109.437 -179.254 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.493 HG23 ' HB3' ' A' ' 36' ' ' LEU . 21.7 t -89.53 100.63 11.12 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.015 0 CA-C-N 113.731 -1.577 . . . . 2.23 107.856 -178.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -56.64 149.2 18.16 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 109.74 -0.467 . . . . 2.96 109.74 177.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.596 ' HB3' HG21 ' A' ' 33' ' ' THR . 35.8 p -60.74 -40.23 91.65 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 112.654 0.613 . . . . 1.19 112.654 -175.182 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.1 mp -65.84 -23.03 66.59 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.505 0.669 . . . . 1.34 110.415 -179.559 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 48.9 m -81.99 -30.58 31.54 Favored 'General case' 0 N--CA 1.435 -1.178 0 CA-C-N 115.349 -0.841 . . . . 1.26 110.684 178.163 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.466 ' SD ' ' H5A' ' A' ' 101' ' ' SXO . 9.0 tmm? -70.08 -23.0 62.99 Favored 'General case' 0 C--O 1.219 -0.509 0 N-CA-C 108.95 -0.759 . . . . 0.97 108.95 -178.566 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.606 HG22 ' H37' ' A' ' 101' ' ' SXO . 43.2 t -57.12 -31.89 38.6 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.165 0 CA-C-N 115.526 -0.761 . . . . 0.65 110.533 178.38 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -74.67 -29.1 61.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.72 0.772 . . . . 2.06 109.733 178.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.512 ' HA ' HG21 ' A' ' 14' ' ' ILE . 93.8 t -75.21 -58.91 3.82 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.068 0 CA-C-N 114.787 -1.097 . . . . 1.43 110.394 -178.243 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.429 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 12.1 p -51.7 -42.07 30.34 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.924 0 N-CA-C 113.327 0.862 . . . . 0.53 113.327 -175.589 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 11.5 p -69.94 -23.11 25.15 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.994 0 CA-C-O 121.576 0.703 . . . . 0.65 111.018 -178.608 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -86.21 -29.16 23.39 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.595 0.712 . . . . 0.32 109.233 177.418 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.64 -27.73 63.28 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.684 -0.689 . . . . 0.36 111.491 -179.643 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.431 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 91.7 mt-10 -53.95 -51.22 64.5 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-O 121.698 0.761 . . . . 0.78 110.247 177.848 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -79.74 -31.7 41.05 Favored 'General case' 0 C--N 1.307 -1.264 0 CA-C-N 115.391 -0.822 . . . . 0.96 111.453 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -62.86 -45.87 90.55 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 122.765 0.426 . . . . 3.85 110.98 -176.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.541 ' HB2' HG12 ' A' ' 56' ' ' VAL . 59.1 m-85 -104.05 6.52 36.05 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 120.541 -0.464 . . . . 0.4 112.137 -176.269 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 31.8 t70 63.34 38.17 10.4 Favored 'General case' 0 N--CA 1.489 1.487 0 CA-C-O 122.886 1.327 . . . . 1.95 110.454 177.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.956 HG11 HG23 ' A' ' 76' ' ' ILE . 6.8 p -131.97 104.66 8.48 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.277 0 CA-C-N 115.027 -0.988 . . . . 1.37 110.929 -176.273 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -72.77 93.95 1.73 Allowed 'General case' 0 C--N 1.292 -1.912 0 CA-C-N 115.124 -0.944 . . . . 3.34 108.946 176.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.589 HD11 HG12 ' A' ' 76' ' ' ILE . 73.7 mt -88.42 112.7 51.58 Favored Pre-proline 0 C--N 1.305 -1.337 0 CA-C-N 115.474 -0.785 . . . . 0.57 109.37 -179.118 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.45 ' O ' HG23 ' A' ' 63' ' ' VAL . 34.6 Cg_exo -63.8 146.78 92.27 Favored 'Trans proline' 0 N--CA 1.456 -0.711 0 C-N-CA 122.7 2.267 . . . . 0.63 110.798 179.377 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -53.88 -33.11 55.5 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.418 0.687 . . . . 2.3 111.149 -179.518 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -62.99 -44.55 95.71 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.672 -0.695 . . . . 2.38 110.767 177.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.525 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 6.7 m-20 -71.67 -29.8 65.01 Favored 'General case' 0 CA--C 1.499 -0.992 0 CA-C-N 116.159 -0.473 . . . . 1.52 111.988 -178.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 59' ' ' PRO . 59.9 t -60.5 -41.18 86.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 109.078 -0.712 . . . . 0.79 109.078 176.861 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -76.41 -13.41 60.12 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.214 -0.903 . . . . 1.24 111.136 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -89.88 -24.17 21.44 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-O 120.927 0.394 . . . . 2.07 110.888 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' A' ' 62' ' ' ASP . 91.2 mt -77.55 169.53 18.14 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.361 -0.381 . . . . 0.6 110.286 -178.131 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.423 ' HG3' ' H ' ' A' ' 68' ' ' THR . 38.4 pttt -148.86 -75.09 0.17 Allowed 'General case' 0 C--N 1.311 -1.081 0 N-CA-C 112.368 0.507 . . . . 2.69 112.368 -177.809 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.682 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 69.5 p -85.96 175.32 8.67 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.906 -0.496 . . . . 0.46 110.213 -179.304 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 88.8 t -70.51 -37.09 68.85 Favored 'Isoleucine or valine' 0 N--CA 1.408 -2.538 0 N-CA-C 107.225 -1.398 . . . . 0.66 107.225 173.178 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.585 ' HA2' HD12 ' A' ' 28' ' ' LEU . . . -63.13 -37.38 94.82 Favored Glycine 0 N--CA 1.45 -0.409 0 CA-C-N 115.553 -0.749 . . . . 0.46 112.634 177.744 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -77.16 -36.64 55.04 Favored 'General case' 0 C--N 1.315 -0.921 0 O-C-N 122.332 -0.51 . . . . 1.62 110.411 179.058 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.434 ' HA ' HD22 ' A' ' 66' ' ' LEU . . . -66.03 -53.78 34.22 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.544 -0.753 . . . . 0.51 110.791 -177.624 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.404 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 14.6 p -50.06 -53.01 29.92 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 123.869 0.868 . . . . 0.46 111.525 -178.821 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 21.5 tptm -51.14 -40.19 57.99 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.316 1.446 . . . . 3.54 111.416 -178.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.481 ' HE2' HG23 ' A' ' 58' ' ' ILE . 61.5 t80 -76.55 -48.21 20.07 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 120.755 0.312 . . . . 0.83 110.639 177.073 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.956 HG23 HG11 ' A' ' 56' ' ' VAL . 94.5 mt -50.4 -57.53 2.41 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 C-N-CA 123.982 0.913 . . . . 0.65 111.341 -178.782 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.455 ' HA ' ' NE2' ' A' ' 80' ' ' GLN . 4.5 pp -64.76 -21.84 66.85 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 112.905 0.705 . . . . 1.74 112.905 -178.021 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -88.14 -29.35 20.63 Favored 'General case' 0 C--N 1.3 -1.583 0 C-N-CA 120.523 -0.471 . . . . 1.32 111.303 -178.164 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 52.0 t60 -93.47 -7.82 43.34 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-O 120.959 0.409 . . . . 2.89 111.448 -177.028 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.691 ' HB3' ' HB ' ' A' ' 56' ' ' VAL . 9.8 pt20 -91.56 -173.9 3.71 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 109.415 -0.587 . . . . 2.23 109.415 176.4 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.43 -1.467 0 N-CA-C 108.547 -0.909 . . . . 3.38 108.547 175.68 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 101' ' ' SXO . . . . . 0.673 ' H8B' HD11 ' A' ' 76' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.711 0 N-CA-C 108.241 -1.022 . . . . 2.17 108.241 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -82.88 120.19 25.35 Favored 'General case' 0 C--N 1.304 -1.376 0 CA-C-O 120.833 0.349 . . . . 1.12 110.339 -179.394 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.508 ' O ' HG12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -92.6 -164.67 1.21 Allowed 'General case' 0 C--N 1.307 -1.246 0 CA-C-O 119.14 -0.457 . . . . 1.57 110.285 -178.2 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.594 ' HB2' HD11 ' A' ' 28' ' ' LEU . 0.3 OUTLIER -60.64 -40.22 91.16 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 114.431 1.271 . . . . 1.76 114.431 -170.375 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -68.06 -45.22 74.45 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.408 0.623 . . . . 3.05 109.457 179.606 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -64.66 -37.65 88.3 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 114.581 -1.19 . . . . 2.53 110.372 -179.594 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.508 HG12 ' O ' ' A' ' 3' ' ' THR . 39.2 mm -71.24 -52.84 23.96 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.378 0 CA-C-N 116.124 -0.489 . . . . 0.45 110.262 179.213 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.495 ' HA ' HD12 ' A' ' 11' ' ' LEU . 93.3 t -59.94 -36.98 70.2 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 N-CA-C 112.071 0.397 . . . . 0.57 112.071 -178.558 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.69 -34.02 76.27 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 121.127 0.489 . . . . 0.48 110.54 176.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.523 ' O ' ' HB3' ' A' ' 13' ' ' GLU . . . -77.53 -36.91 32.35 Favored Glycine 0 N--CA 1.439 -1.112 0 N-CA-C 110.684 -0.966 . . . . 0.37 110.684 176.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.495 HD12 ' HA ' ' A' ' 8' ' ' VAL . 95.1 mt -58.58 -51.72 68.69 Favored 'General case' 0 CA--C 1.51 -0.565 0 CA-C-O 121.294 0.569 . . . . 0.33 109.661 177.164 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.413 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -67.71 -18.67 64.99 Favored 'General case' 0 C--O 1.202 -1.442 0 CA-C-N 115.25 -0.886 . . . . 0.28 112.095 -178.424 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.523 ' HB3' ' O ' ' A' ' 10' ' ' GLY . 7.6 tp10 -66.27 -52.61 45.79 Favored 'General case' 0 N--CA 1.425 -1.724 0 N-CA-C 109.05 -0.722 . . . . 2.48 109.05 177.354 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.529 HG21 ' HA ' ' A' ' 46' ' ' VAL . 3.8 mp -72.41 -35.66 52.45 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.941 0 C-N-CA 119.614 -0.835 . . . . 0.44 109.607 178.133 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 56.2 t -67.07 -23.3 30.48 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.18 0 CA-C-O 121.274 0.559 . . . . 0.34 111.582 178.39 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.458 ' O ' ' HA2' ' A' ' 20' ' ' GLY . 28.1 t-20 -72.0 -29.86 64.64 Favored 'General case' 0 C--N 1.313 -1.018 0 O-C-N 121.473 -0.767 . . . . 0.95 109.946 175.497 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -80.86 -40.03 25.46 Favored 'General case' 0 C--N 1.302 -1.462 0 CA-C-N 115.619 -0.719 . . . . 2.11 109.738 178.721 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.479 HG13 HG22 ' A' ' 46' ' ' VAL . 47.2 mm -78.82 -53.46 13.62 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.267 0 CA-C-N 115.936 -0.574 . . . . 0.71 111.514 -177.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -100.04 -49.52 4.28 Favored 'General case' 0 C--N 1.302 -1.48 0 CA-C-O 120.802 0.334 . . . . 0.68 110.786 -176.406 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.458 ' HA2' ' O ' ' A' ' 16' ' ' ASN . . . 116.35 3.58 18.85 Favored Glycine 0 C--N 1.315 -0.608 0 C-N-CA 119.653 -1.261 . . . . 0.93 114.192 178.252 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.609 HG21 HD22 ' A' ' 36' ' ' LEU . 2.2 pp -64.63 146.95 98.15 Favored Pre-proline 0 C--N 1.317 -0.829 0 N-CA-C 112.513 0.56 . . . . 0.6 112.513 178.566 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 21' ' ' ILE . 13.4 Cg_exo -70.22 135.11 28.55 Favored 'Trans proline' 0 N--CA 1.445 -1.325 0 C-N-CA 122.299 1.999 . . . . 0.75 109.811 177.293 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.413 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 33.7 m -63.88 -28.88 45.88 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.951 0 CA-C-O 121.351 0.596 . . . . 1.48 110.599 -178.224 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -74.48 -14.84 60.88 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.329 -0.851 . . . . 2.03 110.788 -179.469 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -92.83 -19.12 22.04 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-O 121.271 0.558 . . . . 1.07 110.84 -175.14 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.721 ' HA ' ' HG3' ' A' ' 30' ' ' LYS . 39.8 t -94.03 94.96 4.85 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.583 0 CA-C-N 116.016 -0.538 . . . . 0.73 110.922 -176.139 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -93.68 -169.62 2.15 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 107.156 -1.424 . . . . 2.83 107.156 172.012 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.594 HD11 ' HB2' ' A' ' 4' ' ' GLN . 4.4 mm? -73.22 -11.91 60.68 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 112.353 0.501 . . . . 1.07 112.353 -178.524 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -90.3 18.46 6.04 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 121.535 0.683 . . . . 2.47 110.818 -177.135 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.721 ' HG3' ' HA ' ' A' ' 26' ' ' VAL . 72.3 mmtt -104.38 166.78 10.17 Favored 'General case' 0 C--N 1.303 -1.445 0 CA-C-O 121.574 0.702 . . . . 1.06 110.372 179.255 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.45 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 30.8 t -140.28 161.92 36.52 Favored 'General case' 0 C--N 1.286 -2.191 0 N-CA-C 106.162 -1.792 . . . . 1.31 106.162 176.226 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.501 ' CE2' ' H5 ' ' A' ' 101' ' ' SXO . 97.6 m-85 -77.67 -48.43 16.79 Favored 'General case' 0 CA--C 1.48 -1.716 0 C-N-CA 120.708 -0.397 . . . . 1.03 110.033 -171.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.621 HG21 ' OG ' ' A' ' 40' ' ' SER . 76.4 p -119.43 -2.24 10.6 Favored 'General case' 0 N--CA 1.412 -2.361 0 C-N-CA 118.033 -1.467 . . . . 1.37 113.64 -179.295 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -91.93 -25.49 18.87 Favored 'General case' 0 CA--C 1.484 -1.586 0 C-N-CA 120.007 -0.677 . . . . 2.31 110.059 176.479 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.411 ' HB3' ' H ' ' A' ' 31' ' ' SER . 10.8 t70 -117.88 -52.08 2.44 Favored 'General case' 0 C--N 1.309 -1.191 0 C-N-CA 120.082 -0.647 . . . . 1.67 109.557 178.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.609 HD22 HG21 ' A' ' 21' ' ' ILE . 82.9 mt -75.07 168.06 20.71 Favored 'General case' 0 C--O 1.241 0.647 0 CA-C-O 121.153 0.501 . . . . 0.69 110.813 -176.778 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -92.22 10.9 27.59 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 115.9 -0.591 . . . . 2.15 110.687 -173.145 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.533 HG11 ' HB2' ' A' ' 43' ' ' MET . 47.0 t -52.41 130.92 13.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 C-N-CA 123.706 0.802 . . . . 2.23 111.016 -177.106 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -70.35 16.73 0.07 Allowed 'General case' 0 CA--C 1.568 1.65 0 C-N-CA 125.621 1.568 . . . . 2.96 112.474 -176.399 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.621 ' OG ' HG21 ' A' ' 33' ' ' THR . 3.5 m 63.48 -74.13 0.04 OUTLIER 'General case' 0 CA--C 1.513 -0.475 0 N-CA-C 115.161 1.541 . . . . 1.19 115.161 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.9 mp -61.88 -25.8 67.76 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 122.212 1.006 . . . . 1.34 109.758 -176.375 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 41.3 m -74.95 -20.12 59.82 Favored 'General case' 0 C--N 1.301 -1.506 0 CA-C-N 114.34 -1.3 . . . . 1.26 112.268 179.724 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.533 ' HB2' HG11 ' A' ' 38' ' ' VAL . 8.0 tmm? -74.54 -21.6 59.44 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 108.454 -0.943 . . . . 0.97 108.454 -179.187 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 37.2 t -61.27 -27.19 41.32 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.488 0 CA-C-N 115.621 -0.718 . . . . 0.65 109.778 178.138 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -79.93 -18.4 50.6 Favored 'General case' 0 C--N 1.34 0.18 0 CA-C-N 115.937 -0.574 . . . . 2.06 111.187 175.455 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.529 ' HA ' HG21 ' A' ' 14' ' ' ILE . 94.8 t -77.58 -58.18 4.63 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.003 0 N-CA-C 108.093 -1.076 . . . . 1.43 108.093 176.286 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.418 HG11 HG11 ' A' ' 63' ' ' VAL . 11.9 p -57.46 -34.45 46.71 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.235 0 N-CA-C 113.486 0.921 . . . . 0.53 113.486 -176.777 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 14.8 p -66.58 -31.12 52.12 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.827 0 CA-C-O 121.507 0.67 . . . . 0.65 110.165 177.355 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.544 ' O ' ' HB2' ' A' ' 53' ' ' ARG . . . -82.7 -25.01 33.38 Favored 'General case' 0 N--CA 1.443 -0.806 0 N-CA-C 109.223 -0.658 . . . . 0.32 109.223 178.253 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.43 -38.13 80.9 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-N 115.751 -0.658 . . . . 0.36 111.43 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.439 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 41.0 mt-10 -53.32 -54.02 42.48 Favored 'General case' 0 C--O 1.214 -0.814 0 CA-C-O 121.275 0.56 . . . . 0.78 110.742 178.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -72.62 -31.92 65.53 Favored 'General case' 0 C--N 1.306 -1.316 0 CA-C-N 115.567 -0.742 . . . . 0.96 111.749 -179.009 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.544 ' HB2' ' O ' ' A' ' 49' ' ' ALA . 4.0 tpt180 -66.59 -40.51 88.94 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.166 0.507 . . . . 3.85 110.36 -176.602 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.447 ' HB2' HG12 ' A' ' 56' ' ' VAL . 36.4 m-85 -104.32 1.25 30.12 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 116.191 -0.459 . . . . 0.4 110.981 -177.578 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.435 ' HB3' ' CB ' ' A' ' 81' ' ' ALA . 29.8 t70 60.89 34.11 19.68 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.963 1.305 . . . . 1.95 110.73 177.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.587 HG11 HG23 ' A' ' 76' ' ' ILE . 5.6 p -138.1 109.03 5.36 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.129 0 CA-C-N 114.971 -1.013 . . . . 1.37 109.273 -178.41 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -74.03 143.26 45.6 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 115.326 -0.852 . . . . 3.34 112.732 -177.115 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.497 HG12 ' HE2' ' A' ' 75' ' ' TYR . 28.9 mt -132.54 100.35 15.09 Favored Pre-proline 0 C--N 1.306 -1.302 0 CA-C-N 114.593 -1.185 . . . . 0.57 108.492 -174.733 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.485 ' O ' HG23 ' A' ' 63' ' ' VAL . 52.3 Cg_exo -57.03 137.41 81.83 Favored 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 123.123 2.549 . . . . 0.63 111.676 178.395 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -47.99 -41.62 25.83 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 125.461 1.504 . . . . 2.3 112.673 -175.476 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -59.48 -43.95 93.15 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.866 -0.606 . . . . 2.38 111.777 178.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.438 ' HA ' ' ND2' ' A' ' 65' ' ' ASN . 10.8 t70 -86.2 -19.65 29.71 Favored 'General case' 0 C--N 1.314 -0.96 0 C-N-CA 120.657 -0.417 . . . . 1.52 111.562 -174.098 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 59' ' ' PRO . 83.4 t -53.87 -56.83 7.32 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.107 0 N-CA-C 108.887 -0.783 . . . . 0.79 108.887 174.782 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt -72.16 -2.07 17.32 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.162 -0.927 . . . . 1.24 112.817 -173.441 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.438 ' ND2' ' HA ' ' A' ' 62' ' ' ASP . 92.7 m-20 -83.26 -14.44 53.15 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.793 -0.639 . . . . 2.07 109.534 175.237 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.616 ' HB2' ' H4A' ' A' ' 101' ' ' SXO . 77.2 mt -87.75 177.07 7.12 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 109.162 -0.681 . . . . 0.6 109.162 179.818 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.429 ' HG3' ' H ' ' A' ' 68' ' ' THR . 14.9 ptpt -149.33 -70.61 0.2 Allowed 'General case' 0 C--N 1.312 -1.032 0 N-CA-C 113.691 0.997 . . . . 2.69 113.691 -177.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.448 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 73.8 p -88.77 -178.74 5.84 Favored 'General case' 0 N--CA 1.438 -1.066 0 O-C-N 121.657 -0.652 . . . . 0.46 109.431 -178.517 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 28.6 m -83.59 -13.56 11.8 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 C-N-CA 119.455 -0.898 . . . . 0.66 109.002 175.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.576 ' HA2' HD12 ' A' ' 28' ' ' LEU . . . -83.42 -29.8 32.12 Favored Glycine 0 N--CA 1.439 -1.147 0 N-CA-C 110.029 -1.229 . . . . 0.46 110.029 175.663 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.491 ' OD2' ' HA ' ' A' ' 66' ' ' LEU . 35.7 t70 -83.07 -34.78 26.11 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 120.981 0.419 . . . . 1.62 110.292 176.653 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.572 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -64.82 -32.59 74.36 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.292 0.568 . . . . 0.51 111.125 -179.645 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.9 p -72.73 -21.58 61.01 Favored 'General case' 0 N--CA 1.413 -2.284 0 CA-C-N 115.766 -0.652 . . . . 0.46 112.61 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 55.5 tptt -61.21 -50.17 74.18 Favored 'General case' 0 C--O 1.219 -0.501 0 C-N-CA 123.032 0.533 . . . . 3.54 110.444 -179.394 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.497 ' HE2' HG12 ' A' ' 58' ' ' ILE . 85.9 t80 -62.19 -41.12 98.05 Favored 'General case' 0 C--O 1.244 0.799 0 CA-C-O 121.848 0.832 . . . . 0.83 110.869 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.587 HG23 HG11 ' A' ' 56' ' ' VAL . 93.8 mt -66.68 -65.37 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.455 0 CA-C-N 114.718 -1.128 . . . . 0.65 110.384 -178.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.501 ' HA ' ' CG ' ' A' ' 80' ' ' GLN . 10.8 mp -54.55 -21.98 11.81 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 125.191 1.396 . . . . 1.74 112.986 178.827 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -65.05 -46.67 80.29 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-O 120.907 0.384 . . . . 1.32 110.644 174.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -98.76 -60.56 1.52 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.618 0.247 . . . . 2.89 111.129 -178.374 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.501 ' CG ' ' HA ' ' A' ' 77' ' ' LEU . 38.6 mt-30 62.76 173.07 0.15 Allowed 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 126.038 1.735 . . . . 2.23 113.109 -179.129 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.435 ' CB ' ' HB3' ' A' ' 55' ' ' ASP . . . . . . . . 0 C--N 1.3 -1.566 0 CA-C-N 115.48 -0.782 . . . . 3.38 109.142 176.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' SXO . . . . . 0.616 ' H4A' ' HB2' ' A' ' 66' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.487 ' HA ' ' OE1' ' A' ' 80' ' ' GLN . . . . . . . . 0 C--O 1.241 0.627 0 CA-C-O 120.981 0.419 . . . . 2.17 111.768 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -90.73 147.88 22.95 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 107.576 -1.268 . . . . 1.12 107.576 175.715 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.601 ' O ' HG12 ' A' ' 7' ' ' ILE . 0.3 OUTLIER -93.18 175.72 6.67 Favored 'General case' 0 C--N 1.3 -1.558 0 C-N-CA 118.956 -1.098 . . . . 1.57 111.862 -174.873 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.481 ' H ' HG22 ' A' ' 3' ' ' THR . 12.1 pt20 -54.22 -41.02 68.2 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 114.206 1.188 . . . . 1.76 114.206 -170.065 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -65.69 -45.21 83.66 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.426 -0.583 . . . . 3.05 109.426 178.657 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 -59.97 -41.02 91.07 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 115.54 -0.755 . . . . 2.53 109.859 176.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.601 HG12 ' O ' ' A' ' 3' ' ' THR . 48.7 mm -62.18 -58.74 6.21 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.236 0 CA-C-N 115.428 -0.805 . . . . 0.45 109.625 179.612 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.549 ' HA ' HD12 ' A' ' 11' ' ' LEU . 94.2 t -54.42 -49.96 61.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 123.447 0.699 . . . . 0.57 111.68 -178.247 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.43 -36.74 74.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.435 -0.348 . . . . 0.48 110.934 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.433 ' C ' ' HZ ' ' A' ' 54' ' ' PHE . . . -70.68 -39.82 66.46 Favored Glycine 0 N--CA 1.445 -0.758 0 N-CA-C 110.74 -0.944 . . . . 0.37 110.74 178.66 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.549 HD12 ' HA ' ' A' ' 8' ' ' VAL . 96.9 mt -55.56 -46.24 77.2 Favored 'General case' 0 C--O 1.24 0.556 0 C-N-CA 123.342 0.657 . . . . 0.33 110.059 178.748 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.42 -23.9 67.06 Favored 'General case' 0 N--CA 1.44 -0.936 0 CA-C-N 115.275 -0.875 . . . . 0.28 112.259 -178.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -66.31 -43.77 85.27 Favored 'General case' 0 CA--C 1.508 -0.642 0 N-CA-C 110.454 -0.202 . . . . 2.48 110.454 177.36 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.839 ' HB ' HG23 ' A' ' 46' ' ' VAL . 4.6 mp -78.46 -36.85 20.77 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.876 0 C-N-CA 119.016 -1.074 . . . . 0.44 109.089 178.175 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.596 HG23 HG21 ' A' ' 46' ' ' VAL . 97.8 t -63.73 -23.18 32.7 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.316 0 CA-C-O 121.589 0.709 . . . . 0.34 111.618 177.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -66.36 -28.48 68.68 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.301 0.572 . . . . 0.95 110.159 174.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -83.43 -43.82 15.44 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 109.054 -0.721 . . . . 2.11 109.054 174.499 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.613 HG13 ' HB ' ' A' ' 46' ' ' VAL . 51.0 mm -58.04 -52.64 55.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.291 -0.868 . . . . 0.71 111.01 -178.259 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -124.23 -42.67 2.11 Favored 'General case' 0 C--N 1.313 -1.008 0 N-CA-C 112.196 0.443 . . . . 0.68 112.196 -177.715 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 106.23 52.82 0.76 Allowed Glycine 0 C--N 1.316 -0.567 0 C-N-CA 119.506 -1.33 . . . . 0.93 112.621 -179.365 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.466 HG13 HG12 ' A' ' 15' ' ' VAL . 1.8 pp -98.87 161.49 24.74 Favored Pre-proline 0 C--N 1.307 -1.254 0 O-C-N 122.72 -0.283 . . . . 0.6 110.926 177.682 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.449 ' HB2' ' HB2' ' A' ' 25' ' ' ASP . 16.3 Cg_exo -73.38 131.37 16.24 Favored 'Trans proline' 0 N--CA 1.451 -0.987 0 C-N-CA 122.547 2.164 . . . . 0.75 109.787 175.457 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 14.0 p -61.24 -33.03 54.63 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.143 0 N-CA-C 112.305 0.483 . . . . 1.48 112.305 -176.162 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -89.12 -2.9 58.74 Favored 'General case' 0 C--N 1.32 -0.685 0 O-C-N 122.08 -0.388 . . . . 2.03 111.532 -179.066 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.449 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 24.7 t70 -85.1 -28.56 25.51 Favored 'General case' 0 C--O 1.24 0.598 0 CA-C-O 121.903 0.859 . . . . 1.07 109.552 -177.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 32.9 t -82.06 95.35 3.07 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.581 0 CA-C-N 114.385 -1.28 . . . . 0.73 109.472 -179.467 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -106.95 178.34 4.59 Favored 'General case' 0 C--N 1.309 -1.188 0 N-CA-C 109.134 -0.691 . . . . 2.83 109.134 173.226 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.451 HD13 HG21 ' A' ' 8' ' ' VAL . 3.8 mm? -51.29 -36.91 44.68 Favored 'General case' 0 N--CA 1.484 1.27 0 N-CA-C 114.659 1.355 . . . . 1.07 114.659 -172.83 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -85.0 10.96 10.46 Favored 'General case' 0 C--N 1.304 -1.376 0 N-CA-C 112.939 0.718 . . . . 2.47 112.939 -176.715 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.518 ' HD2' ' HB3' ' A' ' 35' ' ' ASP . 74.9 mmtt -98.17 140.97 31.69 Favored 'General case' 0 C--N 1.309 -1.182 0 O-C-N 122.268 -0.27 . . . . 1.06 110.655 179.138 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.67 ' OG ' ' HB2' ' A' ' 34' ' ' ASP . 8.7 p -113.89 163.77 14.65 Favored 'General case' 0 C--N 1.295 -1.793 0 N-CA-C 107.808 -1.182 . . . . 1.31 107.808 175.232 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.456 ' O ' ' HB2' ' A' ' 36' ' ' LEU . 91.1 m-85 -74.02 -39.64 63.44 Favored 'General case' 0 N--CA 1.445 -0.689 0 N-CA-C 113.396 0.888 . . . . 1.03 113.396 -170.392 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.644 HG21 ' HB3' ' A' ' 40' ' ' SER . 8.9 t -128.42 30.66 5.14 Favored 'General case' 0 C--N 1.298 -1.656 0 CA-C-O 122.885 1.326 . . . . 1.37 111.594 -175.771 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.67 ' HB2' ' OG ' ' A' ' 31' ' ' SER . 2.8 m-20 -126.94 -61.72 1.16 Allowed 'General case' 0 C--N 1.298 -1.636 0 CA-C-N 114.788 -1.097 . . . . 2.31 108.139 174.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.518 ' HB3' ' HD2' ' A' ' 30' ' ' LYS . 2.8 m-20 -80.9 -39.75 25.79 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 116.316 -0.402 . . . . 1.67 110.793 174.296 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.456 ' HB2' ' O ' ' A' ' 32' ' ' PHE . 77.4 mt -90.93 177.97 6.15 Favored 'General case' 0 N--CA 1.43 -1.464 0 C-N-CA 120.25 -0.58 . . . . 0.69 109.504 -179.059 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -124.3 72.48 1.19 Allowed 'General case' 0 C--N 1.294 -1.842 0 N-CA-C 106.416 -1.698 . . . . 2.15 106.416 -178.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 48.6 t -131.46 113.72 23.96 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.702 0 CA-C-N 113.411 -1.722 . . . . 2.23 107.865 -173.64 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -49.41 125.09 10.44 Favored 'General case' 0 CA--C 1.51 -0.589 0 O-C-N 124.236 0.96 . . . . 2.96 109.533 176.583 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.644 ' HB3' HG21 ' A' ' 33' ' ' THR . 78.6 p -72.22 -35.58 68.93 Favored 'General case' 0 C--N 1.279 -2.477 0 CA-C-N 115.008 -0.996 . . . . 1.19 112.064 -172.737 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.7 mp -64.83 -30.06 71.05 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.036 -1.098 . . . . 1.34 108.036 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 27.6 m -80.41 -15.3 57.15 Favored 'General case' 0 N--CA 1.434 -1.25 0 CA-C-N 114.106 -1.407 . . . . 1.26 111.692 179.272 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 30.4 ttp -67.73 -22.16 65.26 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-O 121.291 0.567 . . . . 0.97 110.341 -177.572 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.507 ' HA ' HG12 ' A' ' 47' ' ' VAL . 59.2 t -54.1 -40.2 45.25 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.468 0 CA-C-N 115.597 -0.729 . . . . 0.65 109.779 177.595 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -66.5 -29.89 70.1 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.93 -0.577 . . . . 2.06 111.97 -178.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.839 HG23 ' HB ' ' A' ' 14' ' ' ILE . 7.4 p -86.7 -37.05 10.97 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.838 0 C-N-CA 120.21 -0.596 . . . . 1.43 111.692 178.65 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.507 HG12 ' HA ' ' A' ' 44' ' ' VAL . 13.8 p -64.8 -39.9 87.22 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.705 0 C-N-CA 120.16 -0.616 . . . . 0.53 111.626 -178.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 12.4 p -69.84 -22.89 25.14 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.936 0 CA-C-O 121.676 0.751 . . . . 0.65 110.599 179.489 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -86.22 -29.16 23.38 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 121.712 0.768 . . . . 0.32 109.752 178.751 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.61 -32.92 73.14 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 115.427 -0.806 . . . . 0.36 111.287 -178.3 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -53.6 -59.34 4.72 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.578 0.704 . . . . 0.78 109.766 178.22 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -69.8 -36.0 75.32 Favored 'General case' 0 C--N 1.296 -1.732 0 CA-C-N 115.33 -0.85 . . . . 0.96 113.084 -177.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -67.6 -38.51 84.09 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.005 0.431 . . . . 3.85 110.211 -176.355 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.433 ' HZ ' ' C ' ' A' ' 10' ' ' GLY . 61.8 m-85 -103.88 14.71 30.27 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 112.86 0.689 . . . . 0.4 112.86 -174.702 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.782 ' HB3' ' HB3' ' A' ' 81' ' ' ALA . 20.8 m-20 58.82 49.55 9.79 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 124.143 0.902 . . . . 1.95 110.422 178.06 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.744 HG22 ' H ' ' A' ' 57' ' ' LYS . 7.5 p -141.25 -169.76 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.295 -1.796 0 N-CA-C 109.458 -0.571 . . . . 1.37 109.458 -177.428 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.744 ' H ' HG22 ' A' ' 56' ' ' VAL . 5.4 tmtm? -146.28 133.3 20.29 Favored 'General case' 0 C--N 1.294 -1.842 0 N-CA-C 103.963 -2.606 . . . . 3.34 103.963 176.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.499 ' N ' ' HD3' ' A' ' 57' ' ' LYS . 43.5 mt -130.52 98.07 20.82 Favored Pre-proline 0 C--N 1.303 -1.424 0 N-CA-C 108.655 -0.868 . . . . 0.57 108.655 -177.808 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.437 ' O ' HG23 ' A' ' 63' ' ' VAL . 17.8 Cg_endo -61.16 131.15 35.26 Favored 'Trans proline' 0 N--CA 1.457 -0.675 0 C-N-CA 122.875 2.384 . . . . 0.63 111.024 179.029 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -52.82 -32.61 45.14 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.866 0.867 . . . . 2.3 112.666 -177.255 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -65.96 -34.2 77.57 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-O 120.876 0.37 . . . . 2.38 111.252 178.371 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -86.53 -23.01 26.03 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.644 -0.502 . . . . 1.52 109.644 -175.7 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.626 HG13 ' H5A' ' A' ' 101' ' ' SXO . 81.2 t -54.98 -58.53 3.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 CA-C-N 115.168 -0.924 . . . . 0.79 109.595 175.522 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 57.0 mttp -61.32 -16.18 43.28 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 116.049 -0.523 . . . . 1.24 112.111 -178.009 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -85.0 -23.09 28.82 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-O 120.671 0.272 . . . . 2.07 110.844 -176.76 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.655 HD13 ' HA ' ' A' ' 72' ' ' ALA . 77.3 mt -91.16 -176.05 4.47 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.799 -0.445 . . . . 0.6 109.799 -179.456 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.506 ' HE3' ' HB2' ' A' ' 67' ' ' LYS . 17.7 ptmt -148.27 -67.38 0.24 Allowed 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 115.584 1.698 . . . . 2.69 115.584 178.865 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.487 HG22 ' HB3' ' A' ' 31' ' ' SER . 65.0 p -87.03 176.5 7.6 Favored 'General case' 0 N--CA 1.44 -0.94 0 N-CA-C 109.682 -0.488 . . . . 0.46 109.682 -176.629 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 22.3 m -79.08 -19.14 12.92 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.275 0 C-N-CA 120.393 -0.523 . . . . 0.66 109.814 177.739 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -80.1 -30.38 42.48 Favored Glycine 0 N--CA 1.444 -0.795 0 N-CA-C 110.066 -1.214 . . . . 0.46 110.066 174.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -76.52 -31.54 57.71 Favored 'General case' 0 C--N 1.311 -1.078 0 N-CA-C 108.35 -0.981 . . . . 1.62 108.35 176.017 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.655 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -73.92 -48.02 33.65 Favored 'General case' 0 CA--C 1.505 -0.758 0 CA-C-N 114.816 -1.084 . . . . 0.51 111.636 -178.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.403 HG22 ' CG2' ' A' ' 7' ' ' ILE . 13.2 p -61.17 -23.15 65.36 Favored 'General case' 0 N--CA 1.436 -1.151 0 N-CA-C 113.042 0.756 . . . . 0.46 113.042 -177.669 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -70.1 -26.98 64.24 Favored 'General case' 0 C--N 1.319 -0.732 0 O-C-N 123.351 0.407 . . . . 3.54 110.133 -179.422 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.407 ' HE2' ' HA ' ' A' ' 58' ' ' ILE . 79.8 t80 -84.58 -47.34 10.65 Favored 'General case' 0 C--O 1.246 0.917 0 CA-C-O 121.671 0.748 . . . . 0.83 109.548 176.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.654 HG23 HG11 ' A' ' 56' ' ' VAL . 79.7 mt -57.15 -55.51 20.14 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.008 0 CA-C-N 114.703 -1.135 . . . . 0.65 110.316 -179.534 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.511 ' HA ' ' HG2' ' A' ' 80' ' ' GLN . 67.7 tp -65.9 -24.01 66.75 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 123.299 0.64 . . . . 1.74 111.55 -179.352 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -70.84 -42.46 70.13 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 120.742 -0.383 . . . . 1.32 111.523 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 -84.24 -62.44 1.56 Allowed 'General case' 0 C--N 1.318 -0.802 0 C-N-CA 119.325 -0.95 . . . . 2.89 110.901 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.511 ' HG2' ' HA ' ' A' ' 77' ' ' LEU . 69.3 mm-40 48.38 174.92 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 117.348 2.351 . . . . 2.23 117.348 178.298 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.782 ' HB3' ' HB3' ' A' ' 55' ' ' ASP . . . . . . . . 0 N--CA 1.436 -1.132 0 CA-C-N 113.47 -1.696 . . . . 3.38 106.634 173.327 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' SXO . . . . . 0.626 ' H5A' HG13 ' A' ' 63' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.239 0.549 0 CA-C-O 120.629 0.252 . . . . 2.17 110.639 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -158.61 137.81 11.51 Favored 'General case' 0 CA--C 1.499 -0.992 0 N-CA-C 110.241 -0.281 . . . . 1.12 110.241 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.629 ' O ' HG12 ' A' ' 7' ' ' ILE . 8.9 t -80.05 171.0 15.67 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 120.55 -0.46 . . . . 1.57 111.214 179.172 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.48 ' HG2' HD11 ' A' ' 28' ' ' LEU . 31.5 tt0 -57.52 -28.43 63.47 Favored 'General case' 0 N--CA 1.434 -1.269 0 C-N-CA 124.118 0.967 . . . . 1.76 109.844 179.335 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -71.95 -49.03 40.98 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 109.109 -0.7 . . . . 3.05 109.109 179.409 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -65.46 -35.89 82.25 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 114.909 -1.041 . . . . 2.53 109.859 179.569 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.629 HG12 ' O ' ' A' ' 3' ' ' THR . 37.2 mm -59.12 -56.76 14.87 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.323 0 O-C-N 123.794 0.684 . . . . 0.45 109.583 179.401 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.47 ' HA ' HD12 ' A' ' 11' ' ' LEU . 88.3 t -56.04 -47.9 79.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 CA-C-N 115.995 -0.548 . . . . 0.57 110.465 179.594 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.404 ' O ' ' HG3' ' A' ' 13' ' ' GLU . . . -56.27 -38.59 71.38 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 115.925 -0.579 . . . . 0.48 111.345 178.698 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -69.61 -39.59 78.23 Favored Glycine 0 C--O 1.227 -0.343 0 N-CA-C 111.089 -0.805 . . . . 0.37 111.089 179.581 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.47 HD12 ' HA ' ' A' ' 8' ' ' VAL . 96.6 mt -58.25 -46.22 86.37 Favored 'General case' 0 C--O 1.24 0.58 0 CA-C-O 121.407 0.623 . . . . 0.33 109.973 178.34 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.5 -23.66 67.49 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 114.988 -1.005 . . . . 0.28 112.648 -178.139 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.404 ' HG3' ' O ' ' A' ' 9' ' ' ALA . 43.5 mt-10 -64.28 -47.3 80.05 Favored 'General case' 0 CA--C 1.509 -0.624 0 N-CA-C 109.72 -0.474 . . . . 2.48 109.72 178.856 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.776 ' HB ' HG23 ' A' ' 46' ' ' VAL . 3.6 mp -79.42 -30.88 13.97 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.631 0 C-N-CA 119.53 -0.868 . . . . 0.44 109.572 179.396 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 59.0 t -65.58 -23.38 32.57 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.276 0 O-C-N 121.197 -0.94 . . . . 0.34 110.564 176.295 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -68.71 -39.98 80.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 122.012 -0.43 . . . . 0.95 109.995 176.062 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -80.99 -28.76 35.41 Favored 'General case' 0 C--N 1.318 -0.798 0 C-N-CA 120.545 -0.462 . . . . 2.11 111.062 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.613 HG13 ' HB ' ' A' ' 46' ' ' VAL . 46.5 mm -76.3 -53.8 14.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.889 0.376 . . . . 0.71 110.251 178.67 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -110.36 -56.8 2.29 Favored 'General case' 0 C--N 1.305 -1.333 0 CA-C-N 116.179 -0.464 . . . . 0.68 111.092 -175.148 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 113.81 80.33 0.95 Allowed Glycine 0 C--N 1.3 -1.444 0 C-N-CA 119.917 -1.135 . . . . 0.93 111.715 -177.42 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.427 ' O ' HD12 ' A' ' 21' ' ' ILE . 1.9 pp -139.34 150.22 63.35 Favored Pre-proline 0 C--N 1.3 -1.566 0 C-N-CA 123.442 0.697 . . . . 0.6 109.274 178.297 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -64.77 141.42 71.93 Favored 'Trans proline' 0 N--CA 1.45 -1.069 0 C-N-CA 121.731 1.621 . . . . 0.75 109.507 176.088 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 35.6 m -72.32 6.86 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.348 0 N-CA-C 113.558 0.947 . . . . 1.48 113.558 -177.246 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -112.97 -10.33 13.52 Favored 'General case' 0 N--CA 1.437 -1.115 0 CA-C-N 115.668 -0.696 . . . . 2.03 109.493 176.282 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -76.31 -34.01 59.05 Favored 'General case' 0 C--O 1.243 0.757 0 CA-C-O 121.851 0.834 . . . . 1.07 109.619 -177.518 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.476 HG22 HD21 ' A' ' 36' ' ' LEU . 24.5 t -79.42 92.3 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.447 0 CA-C-N 114.285 -1.325 . . . . 0.73 108.327 -179.652 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.541 ' H ' ' HG3' ' A' ' 30' ' ' LYS . 63.2 mttp -99.87 -177.93 3.7 Favored 'General case' 0 C--N 1.296 -1.721 0 N-CA-C 108.114 -1.069 . . . . 2.83 108.114 175.56 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.48 HD11 ' HG2' ' A' ' 4' ' ' GLN . 4.1 mm? -60.26 -42.03 94.47 Favored 'General case' 0 C--O 1.245 0.856 0 N-CA-C 115.35 1.611 . . . . 1.07 115.35 -171.867 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -99.6 64.18 1.28 Allowed 'General case' 0 C--N 1.299 -1.587 0 C-N-CA 118.175 -1.41 . . . . 2.47 110.71 -178.284 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.541 ' HG3' ' H ' ' A' ' 27' ' ' LYS . 27.4 mmmt -132.41 123.36 26.56 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 113.843 -1.526 . . . . 1.06 107.502 177.166 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.697 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 50.5 p -95.86 156.55 16.28 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 109.047 -0.723 . . . . 1.31 109.047 177.345 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.694 ' HA ' HD12 ' A' ' 36' ' ' LEU . 95.1 m-85 -75.2 28.47 0.09 Allowed 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 124.326 1.05 . . . . 1.03 113.076 -173.856 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.463 ' CG2' H43A ' A' ' 101' ' ' SXO . 6.0 t -165.94 -56.96 0.03 OUTLIER 'General case' 0 N--CA 1.44 -0.974 0 N-CA-C 112.028 0.381 . . . . 1.37 112.028 -178.418 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -75.19 -41.45 57.88 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-O 121.136 0.493 . . . . 2.31 111.218 -175.509 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.495 ' HB3' ' HD2' ' A' ' 30' ' ' LYS . 9.4 m-20 -90.9 -47.89 7.33 Favored 'General case' 0 C--N 1.308 -1.213 0 CA-C-N 116.171 -0.468 . . . . 1.67 110.245 179.139 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.694 HD12 ' HA ' ' A' ' 32' ' ' PHE . 37.5 mt -72.33 156.35 39.19 Favored 'General case' 0 N--CA 1.436 -1.15 0 CA-C-N 115.86 -0.609 . . . . 0.69 112.05 -177.324 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -91.62 66.68 5.36 Favored 'General case' 0 CA--C 1.487 -1.466 0 N-CA-C 106.786 -1.561 . . . . 2.15 106.786 178.542 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.469 HG23 ' HB3' ' A' ' 36' ' ' LEU . 48.8 t -136.91 131.81 46.96 Favored 'Isoleucine or valine' 0 C--N 1.276 -2.6 0 CA-C-N 113.069 -1.878 . . . . 2.23 106.733 -179.022 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -41.52 -71.63 0.08 Allowed 'General case' 0 N--CA 1.477 0.878 0 O-C-N 124.646 1.216 . . . . 2.96 108.592 170.063 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.875 ' HB2' ' H42' ' A' ' 101' ' ' SXO . 88.6 p 151.39 -48.76 0.01 OUTLIER 'General case' 0 CA--C 1.475 -1.915 0 C-N-CA 127.163 2.185 . . . . 1.19 109.389 167.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.406 HD12 ' OG ' ' A' ' 40' ' ' SER . 6.7 mp -63.14 -21.43 66.19 Favored 'General case' 0 C--O 1.212 -0.88 0 CA-C-O 121.569 0.7 . . . . 1.34 110.015 -176.552 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.7 m -68.76 -19.34 64.32 Favored 'General case' 0 CA--C 1.558 1.278 0 C-N-CA 124.238 1.015 . . . . 1.26 111.53 176.585 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.543 ' HA ' HG12 ' A' ' 46' ' ' VAL . 9.6 tmm? -66.14 -24.76 66.72 Favored 'General case' 0 C--O 1.216 -0.679 0 CA-C-O 121.109 0.48 . . . . 0.97 110.183 -178.452 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.423 ' HA ' HG12 ' A' ' 47' ' ' VAL . 47.0 t -56.75 -33.64 41.26 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.198 0 CA-C-O 121.078 0.466 . . . . 0.65 110.674 179.319 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -73.54 -28.41 61.86 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 116.3 -0.409 . . . . 2.06 112.055 177.093 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.776 HG23 ' HB ' ' A' ' 14' ' ' ILE . 11.4 p -83.14 -36.67 13.06 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.549 0 C-N-CA 119.97 -0.692 . . . . 1.43 111.264 178.757 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.423 HG12 ' HA ' ' A' ' 44' ' ' VAL . 13.5 p -63.21 -41.29 92.24 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.738 0 C-N-CA 120.651 -0.419 . . . . 0.53 111.788 -179.422 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 13.2 p -71.56 -21.97 21.71 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.904 0 CA-C-O 121.771 0.796 . . . . 0.65 110.66 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.437 ' O ' ' HG2' ' A' ' 53' ' ' ARG . . . -86.16 -29.52 23.18 Favored 'General case' 0 N--CA 1.442 -0.841 0 CA-C-O 121.433 0.635 . . . . 0.32 109.814 178.456 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.63 -25.03 63.74 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 116.163 -0.471 . . . . 0.36 111.217 -178.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.506 ' HA ' HG23 ' A' ' 56' ' ' VAL . 43.9 mt-10 -57.38 -46.92 82.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.511 -0.313 . . . . 0.78 110.736 179.415 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -74.13 -36.32 64.16 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.136 0.493 . . . . 0.96 110.173 178.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.565 ' HG3' HD11 ' A' ' 14' ' ' ILE . 30.0 mmm180 -71.18 -24.8 62.3 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.943 0.72 . . . . 3.85 112.943 -173.572 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -116.43 10.1 14.54 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 112.458 0.54 . . . . 0.4 112.458 -179.082 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 60.22 41.94 15.97 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 123.7 0.625 . . . . 1.95 110.361 179.278 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.506 HG23 ' HA ' ' A' ' 51' ' ' GLU . 31.3 m -127.07 -171.25 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.023 0 CA-C-N 116.002 -0.545 . . . . 1.37 111.003 -177.66 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.459 ' HA ' ' HD2' ' A' ' 57' ' ' LYS . 42.7 tptt -155.79 125.34 6.34 Favored 'General case' 0 N--CA 1.428 -1.567 0 N-CA-C 104.24 -2.504 . . . . 3.34 104.24 173.606 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.438 HD13 ' H8A' ' A' ' 101' ' ' SXO . 60.1 mt -121.17 116.01 31.29 Favored Pre-proline 0 C--N 1.308 -1.203 0 C-N-CA 120.889 -0.324 . . . . 0.57 110.99 -171.394 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.426 ' O ' HG23 ' A' ' 63' ' ' VAL . 26.3 Cg_exo -63.96 135.31 47.19 Favored 'Trans proline' 0 C--O 1.24 0.592 0 C-N-CA 123.245 2.63 . . . . 0.63 111.226 179.202 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -58.57 -33.15 69.61 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 112.884 0.698 . . . . 2.3 112.884 -175.683 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -65.95 -30.56 71.15 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 116.349 -0.387 . . . . 2.38 110.061 179.648 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.425 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 5.6 t70 -85.05 -30.72 23.88 Favored 'General case' 0 N--CA 1.438 -1.029 0 N-CA-C 109.337 -0.616 . . . . 1.52 109.337 -175.318 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 59' ' ' PRO . 88.3 t -52.93 -60.79 1.01 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.363 0 CA-C-N 114.885 -1.052 . . . . 0.79 109.302 175.263 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -66.71 -7.79 23.39 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 112.809 0.67 . . . . 1.24 112.809 -178.558 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -87.9 -25.7 23.11 Favored 'General case' 0 C--N 1.305 -1.327 0 CA-C-O 120.907 0.384 . . . . 2.07 111.154 -179.497 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.614 HD13 ' HA ' ' A' ' 72' ' ' ALA . 79.7 mt -82.96 176.39 9.31 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 116.158 -0.474 . . . . 0.6 110.699 -176.376 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -135.4 -71.21 0.48 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.196 0.522 . . . . 2.69 111.992 -176.762 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.697 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 67.4 p -96.62 179.1 5.11 Favored 'General case' 0 N--CA 1.429 -1.48 0 CA-C-N 116.355 -0.384 . . . . 0.46 110.702 -177.29 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.506 HG12 ' CZ ' ' A' ' 32' ' ' PHE . 32.1 m -74.75 -17.81 16.45 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.108 0 N-CA-C 109.571 -0.529 . . . . 0.66 109.571 175.41 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -69.85 -32.69 70.23 Favored Glycine 0 N--CA 1.436 -1.306 0 N-CA-C 110.064 -1.214 . . . . 0.46 110.064 174.652 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -77.89 -37.55 47.76 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.98 -0.748 . . . . 1.62 108.98 177.799 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.614 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -65.92 -45.97 79.98 Favored 'General case' 0 CA--C 1.507 -0.701 0 CA-C-N 114.855 -1.066 . . . . 0.51 111.336 -176.603 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.659 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 17.3 p -59.0 -39.6 82.34 Favored 'General case' 0 N--CA 1.432 -1.339 0 CA-C-N 115.548 -0.751 . . . . 0.46 112.411 -178.194 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 60.5 tttm -60.65 -33.97 73.59 Favored 'General case' 0 CA--C 1.533 0.298 0 O-C-N 123.622 0.576 . . . . 3.54 110.577 -178.767 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -77.23 -48.5 17.37 Favored 'General case' 0 C--O 1.241 0.62 0 CA-C-O 121.355 0.598 . . . . 0.83 109.893 176.347 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.408 HG13 ' O ' ' A' ' 72' ' ' ALA . 83.1 mt -57.97 -56.84 13.39 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.95 0 CA-C-N 115.703 -0.68 . . . . 0.65 111.891 -175.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.659 ' HG ' ' O ' ' A' ' 73' ' ' THR . 2.9 pp -62.68 -21.28 65.62 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.666 0.617 . . . . 1.74 112.666 -178.714 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -72.9 -44.04 61.72 Favored 'General case' 0 C--N 1.307 -1.26 0 CA-C-N 115.608 -0.724 . . . . 1.32 110.371 178.336 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 51.1 m170 -102.71 4.82 38.5 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 114.756 1.391 . . . . 2.89 114.756 -178.539 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.527 ' NE2' HD11 ' A' ' 7' ' ' ILE . 3.9 pt20 -65.83 136.09 55.71 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 112.265 0.469 . . . . 2.23 112.265 -176.659 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.898 0 C-N-CA 125.565 1.546 . . . . 3.38 112.737 175.913 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 101' ' ' SXO . . . . . 0.875 ' H42' ' HB2' ' A' ' 40' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.516 -0.335 0 N-CA-C 108.597 -0.89 . . . . 2.17 108.597 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.535 ' HB1' ' HB2' ' A' ' 6' ' ' GLU . . . -140.88 171.58 13.88 Favored 'General case' 0 N--CA 1.435 -1.199 0 N-CA-C 109.345 -0.613 . . . . 1.12 109.345 -176.381 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.625 HG22 ' H ' ' A' ' 4' ' ' GLN . 4.7 m -97.37 175.83 6.11 Favored 'General case' 0 C--N 1.307 -1.273 0 CA-C-O 119.009 -0.52 . . . . 1.57 110.014 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.625 ' H ' HG22 ' A' ' 3' ' ' THR . 61.1 tt0 -39.76 -57.64 1.5 Allowed 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 116.003 1.853 . . . . 1.76 116.003 -172.039 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -74.09 -34.25 63.91 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 119.002 -1.079 . . . . 3.05 111.699 -175.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.535 ' HB2' ' HB1' ' A' ' 2' ' ' ALA . 56.4 mm-40 -65.9 -33.75 76.54 Favored 'General case' 0 N--CA 1.457 -0.12 0 N-CA-C 109.112 -0.699 . . . . 2.53 109.112 176.25 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.564 HG12 ' O ' ' A' ' 3' ' ' THR . 32.1 mm -62.46 -54.64 31.36 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.665 0 CA-C-N 115.435 -0.802 . . . . 0.45 109.546 175.509 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 4' ' ' GLN . 42.6 t -55.33 -48.56 76.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 N-CA-C 110.087 -0.338 . . . . 0.57 110.087 179.669 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.425 ' O ' ' HG3' ' A' ' 13' ' ' GLU . . . -60.48 -36.25 77.86 Favored 'General case' 0 C--O 1.22 -0.484 0 CA-C-N 115.912 -0.585 . . . . 0.48 110.828 178.733 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.483 ' HA2' ' OE2' ' A' ' 13' ' ' GLU . . . -66.88 -38.56 93.0 Favored Glycine 0 CA--C 1.505 -0.571 0 N-CA-C 111.216 -0.754 . . . . 0.37 111.216 179.11 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.459 HD12 ' HA ' ' A' ' 8' ' ' VAL . 89.8 mt -60.33 -46.96 88.05 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 108.599 -0.889 . . . . 0.33 108.599 176.052 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.428 ' HB2' ' HB ' ' A' ' 26' ' ' VAL . . . -65.83 -24.96 67.01 Favored 'General case' 0 N--CA 1.439 -1.023 0 CA-C-N 114.966 -1.016 . . . . 0.28 112.156 -179.532 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.483 ' OE2' ' HA2' ' A' ' 10' ' ' GLY . 49.4 mt-10 -57.86 -47.23 83.31 Favored 'General case' 0 CA--C 1.508 -0.641 0 CA-C-O 121.12 0.486 . . . . 2.48 109.764 177.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.888 ' HB ' HG23 ' A' ' 46' ' ' VAL . 3.6 mp -84.72 -36.36 11.37 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.575 0 C-N-CA 119.47 -0.892 . . . . 0.44 110.184 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.524 HG22 HG11 ' A' ' 46' ' ' VAL . 61.0 t -61.43 -23.26 29.99 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.408 0 CA-C-O 122.127 0.965 . . . . 0.34 110.786 178.431 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -66.29 -41.12 90.24 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.716 -0.674 . . . . 0.95 111.652 175.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -82.85 -31.6 27.94 Favored 'General case' 0 C--N 1.309 -1.154 0 C-N-CA 119.947 -0.701 . . . . 2.11 110.836 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.52 HG12 ' O ' ' A' ' 14' ' ' ILE . 50.0 mm -71.34 -53.67 20.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.034 -0.53 . . . . 0.71 110.029 179.134 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -102.91 -60.87 1.48 Allowed 'General case' 0 C--N 1.306 -1.285 0 CA-C-N 115.817 -0.628 . . . . 0.68 110.925 -176.6 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 132.59 8.4 2.51 Favored Glycine 0 C--N 1.312 -0.771 0 C-N-CA 119.334 -1.412 . . . . 0.93 113.875 -178.732 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.415 ' HA ' ' HD3' ' A' ' 22' ' ' PRO . 2.3 pp -74.28 148.82 86.49 Favored Pre-proline 0 C--N 1.318 -0.776 0 N-CA-C 112.555 0.576 . . . . 0.6 112.555 179.572 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 21' ' ' ILE . 33.7 Cg_exo -63.28 139.62 72.76 Favored 'Trans proline' 0 C--O 1.247 0.936 0 C-N-CA 122.479 2.12 . . . . 0.75 111.013 176.195 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 26.9 m -72.78 18.09 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 N-CA-C 113.35 0.87 . . . . 1.48 113.35 -178.295 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -137.24 2.59 2.54 Favored 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 108.803 -0.814 . . . . 2.03 108.803 178.311 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.434 ' O ' ' HE2' ' A' ' 30' ' ' LYS . 33.6 t70 -89.79 -35.99 15.39 Favored 'General case' 0 CA--C 1.502 -0.89 0 CA-C-O 122.115 0.959 . . . . 1.07 108.828 -178.131 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.492 ' HA ' ' HG3' ' A' ' 30' ' ' LYS . 60.3 t -78.99 98.7 2.88 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.489 0 CA-C-N 114.345 -1.298 . . . . 0.73 108.232 177.257 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -111.98 -167.08 1.14 Allowed 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 107.714 -1.217 . . . . 2.83 107.714 174.711 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.408 HD13 ' HA ' ' A' ' 28' ' ' LEU 0.275 4.2 mm? -59.67 -33.12 71.14 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 117.012 2.227 . . . . 1.07 117.012 -172.514 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -91.8 69.71 5.59 Favored 'General case' 0 C--N 1.302 -1.458 0 CA-C-O 121.991 0.9 . . . . 2.47 111.291 178.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.54 ' HD2' HD21 ' A' ' 36' ' ' LEU . 34.7 mmtm -140.84 136.95 32.9 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-N 114.288 -1.324 . . . . 1.06 110.99 179.538 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.584 ' H ' ' HB3' ' A' ' 35' ' ' ASP . 52.0 p -118.26 157.19 27.49 Favored 'General case' 0 C--N 1.306 -1.307 0 N-CA-C 107.434 -1.321 . . . . 1.31 107.434 171.843 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.575 ' CZ ' HG12 ' A' ' 69' ' ' VAL . 83.8 m-85 -85.5 30.94 0.6 Allowed 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 113.545 0.943 . . . . 1.03 113.545 -169.495 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.565 ' HA ' ' O ' ' A' ' 38' ' ' VAL . 4.4 t -175.65 -54.68 0.01 OUTLIER 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 116.506 -0.315 . . . . 1.37 111.289 177.52 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -69.54 -47.18 64.59 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 112.148 0.425 . . . . 2.31 112.148 -175.119 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.584 ' HB3' ' H ' ' A' ' 31' ' ' SER . 17.8 t70 -83.34 -40.77 19.02 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.21 0.529 . . . . 1.67 110.314 179.47 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.54 HD21 ' HD2' ' A' ' 30' ' ' LYS . 67.8 mt -82.69 -171.63 3.61 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-N 115.936 -0.575 . . . . 0.69 111.775 -178.641 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -117.45 1.91 12.38 Favored 'General case' 0 C--N 1.31 -1.152 0 CA-C-O 121.957 0.884 . . . . 2.15 109.154 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.565 ' O ' ' HA ' ' A' ' 33' ' ' THR . 7.6 p -89.28 126.25 42.26 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.574 0 N-CA-C 106.794 -1.558 . . . . 2.23 106.794 175.756 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -74.34 164.09 27.01 Favored 'General case' 0 C--N 1.301 -1.507 0 C-N-CA 120.519 -0.473 . . . . 2.96 111.761 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.534 ' CB ' ' H42' ' A' ' 101' ' ' SXO . 33.8 p -66.88 -43.67 82.9 Favored 'General case' 0 C--N 1.298 -1.647 0 CA-C-N 115.685 -0.689 . . . . 1.19 110.226 -179.706 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.8 mp -61.83 -23.85 66.52 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-O 121.816 0.817 . . . . 1.34 109.638 177.598 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 46.8 t -84.12 -37.95 21.33 Favored 'General case' 0 N--CA 1.429 -1.512 0 CA-C-N 115.056 -0.975 . . . . 1.26 109.733 178.74 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.569 ' SD ' ' H6A' ' A' ' 101' ' ' SXO . 35.5 ttp -59.74 -23.24 63.04 Favored 'General case' 0 C--N 1.359 1.011 0 CA-C-O 121.28 0.562 . . . . 0.97 110.457 177.691 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.49 ' HA ' HG12 ' A' ' 47' ' ' VAL . 57.7 t -56.47 -24.06 18.02 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.349 0 C-N-CA 123.101 0.56 . . . . 0.65 111.473 178.477 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 -78.94 -38.07 38.14 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.999 0.428 . . . . 2.06 111.039 177.173 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.888 HG23 ' HB ' ' A' ' 14' ' ' ILE . 3.6 p -84.47 -32.99 8.27 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.792 0 N-CA-C 113.006 0.743 . . . . 1.43 113.006 -178.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.536 HG23 ' H7A' ' A' ' 101' ' ' SXO . 13.9 p -61.41 -40.25 85.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 O-C-N 122.212 -0.305 . . . . 0.53 111.714 -177.865 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 14.9 p -70.12 -31.77 48.66 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.765 0 CA-C-O 121.473 0.654 . . . . 0.65 110.121 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.69 -17.95 46.15 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.548 -0.751 . . . . 0.32 110.277 -179.342 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.63 -29.97 63.92 Favored 'General case' 0 C--N 1.31 -1.139 0 CA-C-N 116.197 -0.456 . . . . 0.36 110.046 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.511 ' HA ' HG23 ' A' ' 56' ' ' VAL . 42.2 mt-10 -58.57 -49.89 75.79 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 115.93 -0.577 . . . . 0.78 111.023 179.671 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -68.96 -42.96 75.93 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.137 -0.483 . . . . 0.96 111.25 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.74 ' HG3' HD11 ' A' ' 14' ' ' ILE . 27.3 mmt180 -62.58 -39.9 95.17 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 112.852 0.686 . . . . 3.85 112.852 -177.828 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -101.95 -4.69 25.71 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 113.752 1.019 . . . . 0.4 113.752 -175.077 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 70.64 46.15 0.55 Allowed 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 123.322 0.649 . . . . 1.95 109.779 -178.735 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.511 HG23 ' HA ' ' A' ' 51' ' ' GLU . 17.3 m -126.06 -174.26 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.507 0.67 . . . . 1.37 112.338 -178.344 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -139.51 123.13 17.38 Favored 'General case' 0 N--CA 1.43 -1.426 0 N-CA-C 105.984 -1.858 . . . . 3.34 105.984 174.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 38.4 mt -129.67 100.36 19.64 Favored Pre-proline 0 C--N 1.304 -1.401 0 N-CA-C 108.82 -0.808 . . . . 0.57 108.82 -177.598 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.548 ' O ' HG23 ' A' ' 63' ' ' VAL . 16.9 Cg_exo -70.84 149.51 60.09 Favored 'Trans proline' 0 C--O 1.235 0.363 0 C-N-CA 123.316 2.677 . . . . 0.63 111.989 178.624 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -53.18 -41.53 65.32 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 124.719 1.207 . . . . 2.3 112.075 -176.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -73.58 -34.26 65.02 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 120.707 0.289 . . . . 2.38 110.958 -178.642 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -71.88 -32.97 67.98 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.848 -0.615 . . . . 1.52 109.461 -175.084 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 59' ' ' PRO . 86.8 t -51.75 -47.15 39.6 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 CA-C-N 115.427 -0.806 . . . . 0.79 110.115 176.039 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -67.78 -5.04 14.35 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 115.443 -0.798 . . . . 1.24 112.422 -176.518 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -94.59 -10.14 32.94 Favored 'General case' 0 C--N 1.317 -0.834 0 O-C-N 121.975 -0.453 . . . . 2.07 110.546 -177.147 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.552 HD13 ' HA ' ' A' ' 72' ' ' ALA . 83.8 mt -101.97 -177.55 3.45 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 108.743 -0.836 . . . . 0.6 108.743 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.4 ' HG2' ' OD1' ' A' ' 71' ' ' ASP . 7.9 ptpp? -146.58 -52.75 0.23 Allowed 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 119.558 -0.857 . . . . 2.69 112.943 -178.067 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 71.6 p -112.74 -176.41 2.9 Favored 'General case' 0 C--O 1.247 0.946 0 O-C-N 121.662 -0.649 . . . . 0.46 109.871 179.285 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.575 HG12 ' CZ ' ' A' ' 32' ' ' PHE . 33.5 m -76.01 -14.03 15.01 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.09 0 N-CA-C 109.392 -0.595 . . . . 0.66 109.392 174.595 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.417 ' O ' ' HG2' ' A' ' 74' ' ' LYS . . . -72.08 -33.13 62.52 Favored Glycine 0 N--CA 1.437 -1.266 0 N-CA-C 110.23 -1.148 . . . . 0.46 110.23 176.85 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.4 ' OD1' ' HG2' ' A' ' 67' ' ' LYS . 5.0 m-20 -80.21 -40.18 27.65 Favored 'General case' 0 CA--C 1.503 -0.838 0 N-CA-C 108.623 -0.88 . . . . 1.62 108.623 178.236 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.552 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -61.36 -46.84 88.52 Favored 'General case' 0 CA--C 1.501 -0.932 0 CA-C-N 114.557 -1.202 . . . . 0.51 110.615 -176.017 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.582 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 6.5 p -55.04 -45.95 75.27 Favored 'General case' 0 N--CA 1.44 -0.959 0 O-C-N 123.903 0.752 . . . . 0.46 112.061 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.417 ' HG2' ' O ' ' A' ' 70' ' ' GLY . 42.0 mmtm -59.26 -47.96 83.4 Favored 'General case' 0 C--O 1.219 -0.534 0 O-C-N 123.905 0.753 . . . . 3.54 110.417 -179.791 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -65.76 -42.46 90.86 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 123.629 0.581 . . . . 0.83 111.877 -178.093 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.568 ' O ' ' HG3' ' A' ' 80' ' ' GLN . 89.2 mt -62.18 -65.01 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.309 -1.18 0 CA-C-O 119.021 -0.514 . . . . 0.65 111.172 -177.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.582 ' HG ' ' O ' ' A' ' 73' ' ' THR 0.271 1.8 pp -57.27 -21.11 32.2 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 113.194 0.813 . . . . 1.74 113.194 177.677 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -70.73 -42.89 69.95 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 115.86 -0.609 . . . . 1.32 110.622 174.395 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -98.27 4.32 48.77 Favored 'General case' 0 C--N 1.312 -1.026 0 N-CA-C 113.935 1.087 . . . . 2.89 113.935 -174.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.568 ' HG3' ' O ' ' A' ' 76' ' ' ILE . 25.5 mt-30 -64.89 154.69 36.57 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 111.841 0.311 . . . . 2.23 111.841 179.135 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.849 0 C-N-CA 125.618 1.567 . . . . 3.38 113.146 -178.603 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 101' ' ' SXO . . . . . 0.569 ' H6A' ' SD ' ' A' ' 43' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.239 0.538 0 N-CA-C 108.529 -0.915 . . . . 2.17 108.529 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -78.9 131.39 36.38 Favored 'General case' 0 C--N 1.308 -1.223 0 N-CA-C 108.425 -0.954 . . . . 1.12 108.425 176.351 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.547 ' O ' HG12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -93.83 -167.26 1.65 Allowed 'General case' 0 C--N 1.299 -1.617 0 C-N-CA 118.852 -1.139 . . . . 1.57 110.952 -177.682 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.436 ' H ' HG22 ' A' ' 3' ' ' THR . 9.8 tt0 -53.66 -49.87 67.03 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 113.709 1.003 . . . . 1.76 113.709 -169.04 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -61.37 -39.88 92.26 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 123.162 0.289 . . . . 3.05 111.231 -179.679 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -73.06 -32.27 64.93 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.831 -0.622 . . . . 2.53 110.083 -177.72 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.547 HG12 ' O ' ' A' ' 3' ' ' THR . 38.1 mm -61.77 -59.1 4.84 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.838 0 N-CA-C 108.293 -1.002 . . . . 0.45 108.293 175.413 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 91.5 t -53.79 -52.89 30.69 Favored 'Isoleucine or valine' 0 C--O 1.242 0.688 0 C-N-CA 123.604 0.762 . . . . 0.57 110.84 179.32 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.49 -39.84 77.31 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 116.097 -0.501 . . . . 0.48 111.143 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.85 -41.54 88.13 Favored Glycine 0 N--CA 1.437 -1.255 0 N-CA-C 110.944 -0.863 . . . . 0.37 110.944 -179.656 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.516 ' O ' HG23 ' A' ' 15' ' ' VAL . 96.5 mt -56.8 -48.69 77.36 Favored 'General case' 0 CA--C 1.503 -0.858 0 C-N-CA 123.088 0.555 . . . . 0.33 109.584 177.838 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.33 -27.81 62.55 Favored 'General case' 0 C--O 1.207 -1.141 0 CA-C-N 115.125 -0.943 . . . . 0.28 112.708 -178.088 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -68.0 -38.76 83.01 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 120.99 -0.284 . . . . 2.48 111.542 178.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.543 ' HB ' HG23 ' A' ' 46' ' ' VAL . 3.9 mp -82.55 -27.32 8.61 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.99 0 C-N-CA 119.561 -0.856 . . . . 0.44 109.004 176.309 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 11' ' ' LEU . 47.8 t -69.16 -26.84 32.92 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.014 0 CA-C-O 121.648 0.737 . . . . 0.34 109.334 175.726 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -72.91 -31.67 64.81 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 123.409 0.684 . . . . 0.95 109.696 173.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.4 ' HB3' ' O ' ' A' ' 14' ' ' ILE . 9.7 tp10 -68.49 -38.63 81.16 Favored 'General case' 0 C--N 1.308 -1.205 0 N-CA-C 108.719 -0.845 . . . . 2.11 108.719 178.102 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.437 HG12 ' O ' ' A' ' 14' ' ' ILE . 49.1 mm -83.66 -52.4 12.98 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.923 0 CA-C-N 114.897 -1.047 . . . . 0.71 112.407 -177.362 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.539 ' HB1' ' HB3' ' A' ' 37' ' ' ASP . . . -116.5 -1.98 12.11 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 114.138 1.162 . . . . 0.68 114.138 -172.718 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.02 27.68 73.61 Favored Glycine 0 C--N 1.31 -0.893 0 N-CA-C 115.048 0.779 . . . . 0.93 115.048 177.718 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.495 HD11 ' HB ' ' A' ' 15' ' ' VAL . 2.3 pp -80.16 151.53 72.87 Favored Pre-proline 0 C--N 1.32 -0.708 0 CA-C-N 117.758 0.779 . . . . 0.6 111.758 178.622 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.429 ' HG2' ' HB2' ' A' ' 25' ' ' ASP . 36.9 Cg_endo -71.11 144.71 47.6 Favored 'Trans proline' 0 N--CA 1.443 -1.483 0 C-N-CA 121.738 1.626 . . . . 0.75 110.232 173.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.1 m -79.98 8.06 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.313 -0.982 0 CA-C-O 121.587 0.708 . . . . 1.48 112.651 -175.415 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -100.76 -17.22 17.03 Favored 'General case' 0 C--N 1.308 -1.231 0 N-CA-C 108.43 -0.952 . . . . 2.03 108.43 178.153 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.672 ' O ' ' HE3' ' A' ' 30' ' ' LYS . 19.9 t70 -77.06 -44.16 31.71 Favored 'General case' 0 CA--C 1.505 -0.775 0 CA-C-N 115.586 -0.734 . . . . 1.07 109.666 -176.565 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.594 ' HA ' ' HG3' ' A' ' 30' ' ' LYS . 40.6 t -70.48 94.9 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.151 0 CA-C-N 114.82 -1.082 . . . . 0.73 111.336 -177.29 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -107.03 -164.12 0.96 Allowed 'General case' 0 C--N 1.3 -1.577 0 CA-C-N 113.875 -1.511 . . . . 2.83 107.175 171.634 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 77.8 mt -74.92 -31.15 61.46 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 112.525 0.565 . . . . 1.07 112.525 -174.472 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -88.47 61.25 6.04 Favored 'General case' 0 C--N 1.306 -1.309 0 CA-C-O 121.984 0.897 . . . . 2.47 110.395 178.371 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.672 ' HE3' ' O ' ' A' ' 25' ' ' ASP . 65.5 mmtt -137.6 156.55 47.94 Favored 'General case' 0 C--N 1.298 -1.652 0 CA-C-N 114.544 -1.207 . . . . 1.06 107.957 178.63 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.472 ' HB3' HG22 ' A' ' 68' ' ' THR . 13.5 p -141.22 165.82 26.47 Favored 'General case' 0 C--N 1.286 -2.179 0 N-CA-C 107.809 -1.182 . . . . 1.31 107.809 -177.381 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.961 ' HB3' ' HG3' ' A' ' 43' ' ' MET . 97.0 m-85 -88.96 23.19 2.45 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 113.437 0.902 . . . . 1.03 113.437 -169.072 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.6 t -165.75 -53.98 0.03 OUTLIER 'General case' 0 C--N 1.309 -1.193 0 CA-C-N 115.773 -0.649 . . . . 1.37 110.911 173.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -63.41 -49.71 72.7 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 112.533 0.568 . . . . 2.31 112.533 -178.252 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.57 ' HB3' ' HD3' ' A' ' 30' ' ' LYS . 12.3 m-20 -97.83 2.39 49.3 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 113.688 0.995 . . . . 1.67 113.688 -179.084 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.42 HD13 HG11 ' A' ' 15' ' ' VAL . 68.3 mt -124.94 168.81 12.78 Favored 'General case' 0 C--N 1.309 -1.177 0 N-CA-C 112.935 0.717 . . . . 0.69 112.935 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.539 ' HB3' ' HB1' ' A' ' 19' ' ' ALA . 12.9 t70 -82.81 -13.48 56.15 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-N 114.659 -1.155 . . . . 2.15 109.131 -176.434 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.2 m -75.89 126.79 36.99 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.204 0 CA-C-N 115.105 -0.952 . . . . 2.23 110.977 -178.516 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -73.54 156.24 38.34 Favored 'General case' 0 C--N 1.283 -2.323 0 N-CA-C 106.237 -1.764 . . . . 2.96 106.237 171.544 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.423 ' HB2' ' H42' ' A' ' 101' ' ' SXO . 78.0 p -64.42 -48.81 73.98 Favored 'General case' 0 C--N 1.295 -1.766 0 C-N-CA 120.948 -0.301 . . . . 1.19 110.964 -174.846 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.3 mp -62.3 -23.23 66.62 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-O 121.152 0.501 . . . . 1.34 111.124 179.111 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.3 m -81.48 -33.79 31.73 Favored 'General case' 0 N--CA 1.439 -1.017 0 C-N-CA 123.356 0.662 . . . . 1.26 110.279 178.752 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.961 ' HG3' ' HB3' ' A' ' 32' ' ' PHE . 13.6 tmm? -61.28 -26.34 67.71 Favored 'General case' 0 C--O 1.223 -0.339 0 C-N-CA 123.604 0.762 . . . . 0.97 110.412 -179.718 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.459 ' HA ' HG12 ' A' ' 47' ' ' VAL . 23.9 t -56.63 -23.58 17.53 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.41 0 CA-C-N 116.241 -0.436 . . . . 0.65 111.269 178.863 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -82.57 -28.17 31.1 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 122.096 -0.377 . . . . 2.06 111.644 177.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.543 HG23 ' HB ' ' A' ' 14' ' ' ILE . 7.1 p -83.85 -36.34 12.14 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 C-N-CA 120.257 -0.577 . . . . 1.43 110.978 178.775 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.459 HG12 ' HA ' ' A' ' 44' ' ' VAL . 11.8 p -62.03 -42.32 94.45 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.791 0 C-N-CA 120.89 -0.324 . . . . 0.53 111.657 -179.59 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 13.0 p -69.51 -28.92 39.77 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.817 0 CA-C-O 121.298 0.57 . . . . 0.65 110.707 -179.397 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.405 ' HB3' HG21 ' A' ' 14' ' ' ILE . . . -80.57 -29.77 37.01 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.298 0.57 . . . . 0.32 110.462 -179.337 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.91 -30.43 71.42 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 116.063 -0.517 . . . . 0.36 111.563 -179.346 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -55.47 -55.94 25.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.674 0.273 . . . . 0.78 111.311 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.513 ' HG3' ' N ' ' A' ' 53' ' ' ARG . 5.0 pt-20 -67.06 -37.24 83.68 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.952 0.406 . . . . 0.96 111.23 -178.309 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.547 ' HA ' ' CZ ' ' A' ' 53' ' ' ARG . 3.0 mmp_? -72.82 -32.78 65.77 Favored 'General case' 0 N--CA 1.443 -0.791 0 N-CA-C 112.642 0.608 . . . . 3.85 112.642 -172.638 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -102.74 4.82 38.43 Favored 'General case' 0 C--N 1.308 -1.219 0 N-CA-C 112.113 0.412 . . . . 0.4 112.113 -179.7 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 38.7 t70 63.2 33.31 14.41 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-O 122.954 1.359 . . . . 1.95 109.879 176.697 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.59 HG11 HG23 ' A' ' 76' ' ' ILE . 7.6 p -126.96 177.68 5.33 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.116 0 CA-C-N 114.559 -1.201 . . . . 1.37 109.801 -172.746 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.465 ' H ' HG22 ' A' ' 56' ' ' VAL . 50.8 mtpt -121.77 141.5 51.14 Favored 'General case' 0 C--N 1.305 -1.365 0 N-CA-C 108.254 -1.017 . . . . 3.34 108.254 174.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.51 HD13 ' H8A' ' A' ' 101' ' ' SXO . 45.9 mt -133.09 88.39 36.64 Favored Pre-proline 0 C--N 1.288 -2.08 0 N-CA-C 108.414 -0.958 . . . . 0.57 108.414 176.394 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.528 ' O ' HG23 ' A' ' 63' ' ' VAL . 29.3 Cg_exo -65.25 151.34 85.69 Favored 'Trans proline' 0 C--O 1.238 0.509 0 C-N-CA 123.419 2.746 . . . . 0.63 111.471 179.756 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -50.88 -42.99 59.49 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.381 1.072 . . . . 2.3 111.92 -177.05 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -66.02 -41.68 90.67 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.086 -0.506 . . . . 2.38 110.596 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.526 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 11.4 m-20 -69.46 -29.72 67.47 Favored 'General case' 0 CA--C 1.499 -1.018 0 CA-C-N 116.016 -0.538 . . . . 1.52 112.258 -179.745 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.651 ' O ' ' H2 ' ' A' ' 101' ' ' SXO . 80.6 t -58.65 -60.61 2.09 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.909 0 N-CA-C 108.339 -0.985 . . . . 0.79 108.339 174.785 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -62.18 -13.75 30.6 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.4 1.08 . . . . 1.24 112.46 -176.173 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 12.3 t30 -85.66 -14.17 46.36 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-O 121.627 0.727 . . . . 2.07 110.972 179.016 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.526 ' HG ' ' O ' ' A' ' 62' ' ' ASP . 67.4 mt -96.24 -174.61 3.12 Favored 'General case' 0 C--N 1.317 -0.848 0 N-CA-C 108.979 -0.749 . . . . 0.6 108.979 -178.755 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.415 ' HG2' ' OD2' ' A' ' 71' ' ' ASP . 4.2 ptpp? -163.61 -54.02 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.622 0.248 . . . . 2.69 111.175 179.18 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.472 HG22 ' HB3' ' A' ' 31' ' ' SER . 52.5 p -104.4 -178.61 3.71 Favored 'General case' 0 N--CA 1.427 -1.583 0 N-CA-C 108.484 -0.932 . . . . 0.46 108.484 176.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.5 HG12 ' CZ ' ' A' ' 32' ' ' PHE . 25.4 m -79.49 -13.69 13.32 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.145 0 C-N-CA 120.227 -0.589 . . . . 0.66 109.416 176.003 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -74.73 -19.2 80.0 Favored Glycine 0 C--O 1.215 -1.038 0 N-CA-C 110.405 -1.078 . . . . 0.46 110.405 176.438 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.415 ' OD2' ' HG2' ' A' ' 67' ' ' LYS . 3.0 m-20 -83.44 -47.02 11.83 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 108.569 -0.9 . . . . 1.62 108.569 175.107 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.516 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -62.87 -49.52 74.52 Favored 'General case' 0 CA--C 1.506 -0.714 0 CA-C-N 113.957 -1.474 . . . . 0.51 112.045 -173.433 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.685 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 2.1 p -48.56 -56.0 9.57 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.238 0.961 . . . . 0.46 112.631 -177.001 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 62.9 mmtt -54.58 -39.76 68.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.393 1.058 . . . . 3.54 111.262 -174.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 82.9 t80 -75.07 -47.13 30.32 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.255 -0.43 . . . . 0.83 110.404 -179.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.59 HG23 HG11 ' A' ' 56' ' ' VAL . 91.2 mt -58.95 -63.39 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.621 -0.718 . . . . 0.65 110.841 -178.708 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.685 ' HG ' ' O ' ' A' ' 73' ' ' THR . 2.7 pp -58.77 -22.44 58.06 Favored 'General case' 0 C--O 1.236 0.379 0 N-CA-C 113.646 0.98 . . . . 1.74 113.646 -173.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -83.12 -25.52 31.86 Favored 'General case' 0 C--N 1.306 -1.311 0 CA-C-N 116.041 -0.527 . . . . 1.32 111.396 -177.253 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.408 ' HB2' HG23 ' A' ' 56' ' ' VAL . 16.1 m-70 -100.38 -0.55 38.0 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 113.229 0.825 . . . . 2.89 113.229 -177.604 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.453 ' NE2' ' HA ' ' A' ' 77' ' ' LEU . 34.5 mt-30 -75.85 164.78 25.88 Favored 'General case' 0 C--O 1.248 0.98 0 N-CA-C 109.843 -0.429 . . . . 2.23 109.843 -178.672 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.241 0.639 0 O-C-N 124.382 1.051 . . . . 3.38 111.639 175.908 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 101' ' ' SXO . . . . . 0.651 ' H2 ' ' O ' ' A' ' 63' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.461 0.112 0 N-CA-C 110.136 -0.32 . . . . 2.17 110.136 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 179.62 142.34 0.14 Allowed 'General case' 0 CA--C 1.502 -0.902 0 N-CA-C 107.849 -1.167 . . . . 1.12 107.849 178.398 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.459 ' O ' HG12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -102.15 -170.5 1.82 Allowed 'General case' 0 C--N 1.3 -1.547 0 C-N-CA 119.974 -0.691 . . . . 1.57 109.527 178.706 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.559 ' HG3' HD22 ' A' ' 77' ' ' LEU . 55.5 mt-30 -62.02 -38.13 87.5 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 113.01 0.744 . . . . 1.76 113.01 -172.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -62.74 -50.75 69.85 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.772 0.32 . . . . 3.05 110.396 177.39 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -66.65 -36.16 81.89 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 115.828 -0.623 . . . . 2.53 110.601 -179.618 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.459 HG12 ' O ' ' A' ' 3' ' ' THR . 25.9 mm -64.42 -51.83 63.08 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.882 0 N-CA-C 109.046 -0.724 . . . . 0.45 109.046 179.316 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.537 ' HA ' HD12 ' A' ' 11' ' ' LEU . 89.9 t -63.41 -35.5 72.61 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.771 0 CA-C-N 116.238 -0.437 . . . . 0.57 111.22 179.345 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.43 -42.44 96.06 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-O 121.081 0.467 . . . . 0.48 110.034 176.632 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.27 -40.81 92.13 Favored Glycine 0 N--CA 1.435 -1.421 0 N-CA-C 110.728 -0.949 . . . . 0.37 110.728 179.183 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.537 HD12 ' HA ' ' A' ' 8' ' ' VAL . 92.5 mt -56.09 -52.68 63.44 Favored 'General case' 0 CA--C 1.51 -0.59 0 C-N-CA 122.931 0.493 . . . . 0.33 110.644 177.446 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.44 ' HB2' ' HB ' ' A' ' 26' ' ' VAL . . . -59.8 -29.99 68.61 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.509 -0.769 . . . . 0.28 112.711 -177.402 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -63.11 -44.9 94.37 Favored 'General case' 0 N--CA 1.421 -1.882 0 CA-C-O 120.825 0.345 . . . . 2.48 110.499 178.481 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.644 HG21 ' HB3' ' A' ' 49' ' ' ALA . 3.1 mp -79.14 -29.27 13.8 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.492 0 C-N-CA 118.796 -1.162 . . . . 0.44 109.925 178.465 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 11' ' ' LEU . 40.7 t -65.61 -27.78 42.46 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 CA-C-O 121.688 0.756 . . . . 0.34 109.728 177.038 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -70.62 -40.39 73.17 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 115.896 -0.593 . . . . 0.95 110.23 174.709 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -69.66 -44.55 70.31 Favored 'General case' 0 C--N 1.303 -1.428 0 CA-C-N 115.769 -0.65 . . . . 2.11 109.852 -179.639 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.543 HG13 ' HB ' ' A' ' 46' ' ' VAL . 41.6 mm -73.49 -53.67 17.44 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-N 115.939 -0.573 . . . . 0.71 112.039 -177.821 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.806 ' HB2' HG23 ' A' ' 38' ' ' VAL . . . -108.5 -48.53 3.31 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-O 121.066 0.46 . . . . 0.68 111.766 -174.823 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 106.19 62.25 0.61 Allowed Glycine 0 C--N 1.302 -1.317 0 C-N-CA 119.633 -1.27 . . . . 0.93 113.209 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.415 HG13 HG12 ' A' ' 15' ' ' VAL . 2.1 pp -104.94 158.46 31.99 Favored Pre-proline 0 C--N 1.301 -1.523 0 N-CA-C 109.163 -0.68 . . . . 0.6 109.163 173.867 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.415 ' C ' ' H ' ' A' ' 24' ' ' GLU . 24.0 Cg_exo -66.24 142.42 66.78 Favored 'Trans proline' 0 N--CA 1.445 -1.326 0 C-N-CA 121.612 1.541 . . . . 0.75 108.689 173.161 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.7 p -84.64 32.26 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.304 -1.411 0 CA-C-O 123.134 1.445 . . . . 1.48 110.26 -176.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.415 ' H ' ' C ' ' A' ' 22' ' ' PRO . 11.8 pt-20 -138.88 10.21 2.62 Favored 'General case' 0 C--N 1.302 -1.477 0 CA-C-N 113.86 -1.518 . . . . 2.03 108.079 178.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -100.52 -38.44 8.38 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.25 -0.886 . . . . 1.07 110.928 -178.213 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.446 HG22 HD22 ' A' ' 36' ' ' LEU . 20.1 t -82.39 91.98 2.4 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.396 0 CA-C-N 115.003 -0.999 . . . . 0.73 110.685 -173.455 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.552 ' H ' ' HG3' ' A' ' 30' ' ' LYS . 96.2 mttt -103.0 -178.27 3.61 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 108.184 -1.043 . . . . 2.83 108.184 173.549 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.443 HD11 ' HB3' ' A' ' 4' ' ' GLN . 4.6 mm? -65.02 -28.1 69.27 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 114.376 1.25 . . . . 1.07 114.376 -175.735 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -88.39 15.96 7.07 Favored 'General case' 0 N--CA 1.486 1.328 0 N-CA-C 112.147 0.425 . . . . 2.47 112.147 -178.6 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.552 ' HG3' ' H ' ' A' ' 27' ' ' LYS . 28.5 mmmt -100.76 134.57 43.53 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 108.899 -0.778 . . . . 1.06 108.899 179.727 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.613 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 0.7 OUTLIER -109.65 151.09 27.32 Favored 'General case' 0 C--N 1.291 -1.956 0 N-CA-C 107.246 -1.391 . . . . 1.31 107.246 176.03 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.539 ' HA ' HD12 ' A' ' 36' ' ' LEU . 98.5 m-85 -54.88 -48.0 73.53 Favored 'General case' 0 C--N 1.311 -1.066 0 N-CA-C 114.557 1.317 . . . . 1.03 114.557 -172.029 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.0 t -121.77 23.1 10.28 Favored 'General case' 0 C--N 1.297 -1.702 0 C-N-CA 118.448 -1.301 . . . . 1.37 110.577 -178.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.573 ' HB2' ' HB2' ' A' ' 31' ' ' SER . 10.2 m-20 -115.2 -36.41 4.38 Favored 'General case' 0 C--N 1.307 -1.276 0 N-CA-C 108.856 -0.794 . . . . 2.31 108.856 176.258 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -123.28 -27.61 4.11 Favored 'General case' 0 CA--C 1.494 -1.185 0 CA-C-N 115.643 -0.708 . . . . 1.67 110.891 -176.41 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.539 HD12 ' HA ' ' A' ' 32' ' ' PHE . 71.3 mt -88.34 147.96 24.51 Favored 'General case' 0 N--CA 1.429 -1.524 0 CA-C-O 121.436 0.636 . . . . 0.69 112.069 -176.858 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -96.75 70.69 2.54 Favored 'General case' 0 C--N 1.284 -2.254 0 CA-C-O 123.08 1.419 . . . . 2.15 110.354 -178.106 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.806 HG23 ' HB2' ' A' ' 19' ' ' ALA . 12.9 p -127.67 171.4 16.01 Favored 'Isoleucine or valine' 0 C--N 1.267 -3.018 0 N-CA-C 105.041 -2.207 . . . . 2.23 105.041 173.118 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -69.91 -84.62 0.03 OUTLIER 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 109.003 -0.74 . . . . 2.96 109.003 172.668 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 68.1 p 156.89 -47.73 0.0 OUTLIER 'General case' 0 C--O 1.212 -0.873 0 C-N-CA 127.089 2.155 . . . . 1.19 108.386 173.319 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.4 mp -69.33 -25.68 64.33 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 107.234 -1.395 . . . . 1.34 107.234 177.401 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 34.0 t -81.56 -14.89 56.29 Favored 'General case' 0 CA--C 1.562 1.406 0 CA-C-N 113.959 -1.473 . . . . 1.26 110.819 175.051 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.51 ' CE ' ' H3A' ' A' ' 101' ' ' SXO . 7.8 tmm? -73.06 -23.01 60.51 Favored 'General case' 0 N--CA 1.484 1.234 0 N-CA-C 108.004 -1.11 . . . . 0.97 108.004 -179.395 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.493 ' HA ' HG12 ' A' ' 47' ' ' VAL . 27.7 t -61.77 -22.7 29.05 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.718 0 CA-C-O 121.671 0.748 . . . . 0.65 109.904 176.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -76.85 -30.73 56.43 Favored 'General case' 0 CA--C 1.555 1.15 0 CA-C-N 115.595 -0.73 . . . . 2.06 110.575 176.49 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.553 HG23 ' CG2' ' A' ' 14' ' ' ILE . 7.2 p -81.27 -40.11 17.94 Favored 'Isoleucine or valine' 0 C--N 1.343 0.32 0 O-C-N 121.903 -0.498 . . . . 1.43 111.255 179.422 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.493 HG12 ' HA ' ' A' ' 44' ' ' VAL . 10.2 p -60.76 -37.33 75.85 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.98 0 C-N-CA 120.579 -0.449 . . . . 0.53 112.024 -179.59 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 13.4 p -70.55 -26.59 28.9 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.748 0 CA-C-O 121.458 0.647 . . . . 0.65 110.71 179.256 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.644 ' HB3' HG21 ' A' ' 14' ' ' ILE . . . -82.82 -26.22 31.93 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.522 0.677 . . . . 0.32 109.356 177.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.78 -34.24 77.4 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 115.888 -0.596 . . . . 0.36 110.806 178.17 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -52.95 -56.91 12.46 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.134 -0.484 . . . . 0.78 111.837 179.646 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.551 ' HG3' ' N ' ' A' ' 53' ' ' ARG . 5.4 pt-20 -62.42 -38.7 90.73 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 121.003 0.43 . . . . 0.96 111.43 -179.766 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.552 ' HG3' HD11 ' A' ' 14' ' ' ILE . 4.2 mmp_? -70.19 -41.12 74.14 Favored 'General case' 0 N--CA 1.441 -0.879 0 CA-C-N 116.003 -0.544 . . . . 3.85 112.303 -172.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -94.14 2.86 55.91 Favored 'General case' 0 CA--C 1.5 -0.952 0 C-N-CA 120.488 -0.485 . . . . 0.4 111.728 -178.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 33.4 t70 65.51 33.81 8.41 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-O 122.311 1.053 . . . . 1.95 109.975 175.251 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 16.8 m -114.93 -172.78 0.58 Allowed 'Isoleucine or valine' 0 C--O 1.242 0.687 0 CA-C-N 115.005 -0.998 . . . . 1.37 111.488 -178.286 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 32.3 mtmm -138.53 129.37 26.63 Favored 'General case' 0 C--N 1.315 -0.928 0 N-CA-C 105.294 -2.113 . . . . 3.34 105.294 176.523 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.487 HG12 ' HE2' ' A' ' 75' ' ' TYR . 23.8 mt -131.42 109.64 14.89 Favored Pre-proline 0 C--N 1.304 -1.41 0 N-CA-C 109.529 -0.545 . . . . 0.57 109.529 -179.079 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.561 ' O ' HG23 ' A' ' 63' ' ' VAL . 20.8 Cg_exo -65.83 141.22 64.38 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 123.328 2.685 . . . . 0.63 111.216 -179.192 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -48.6 -46.56 39.61 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 124.277 1.031 . . . . 2.3 112.365 -176.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -69.31 -35.3 75.83 Favored 'General case' 0 CA--C 1.494 -1.187 0 CA-C-N 115.75 -0.659 . . . . 2.38 111.314 -177.511 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -80.32 -26.22 38.89 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-N 116.085 -0.507 . . . . 1.52 110.053 -175.585 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 59' ' ' PRO . 79.1 t -55.63 -62.53 0.78 Allowed 'Isoleucine or valine' 0 C--O 1.213 -0.838 0 N-CA-C 107.734 -1.209 . . . . 0.79 107.734 171.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -65.51 -2.81 3.66 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.872 -1.058 . . . . 1.24 113.534 -174.596 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -86.98 -19.24 29.02 Favored 'General case' 0 C--N 1.31 -1.133 0 N-CA-C 109.611 -0.514 . . . . 2.07 109.611 178.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.651 HD13 ' HA ' ' A' ' 72' ' ' ALA . 80.5 mt -83.05 179.55 7.72 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.814 -0.63 . . . . 0.6 110.602 -178.055 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.558 ' HA ' ' S1 ' ' A' ' 101' ' ' SXO . 14.3 ptmm? -148.83 -53.49 0.18 Allowed 'General case' 0 CA--C 1.555 1.139 0 N-CA-C 113.492 0.923 . . . . 2.69 113.492 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.613 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 58.1 p -101.56 175.8 5.44 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 121.506 -0.746 . . . . 0.46 109.242 -178.359 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 25.0 m -77.39 -22.65 14.32 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.767 0 C-N-CA 119.186 -1.005 . . . . 0.66 108.949 174.202 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -70.64 -43.19 60.92 Favored Glycine 0 N--CA 1.444 -0.77 0 N-CA-C 109.957 -1.257 . . . . 0.46 109.957 177.122 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.438 ' OD2' ' HA ' ' A' ' 66' ' ' LEU . 30.9 t70 -67.0 -29.63 69.51 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.678 0.752 . . . . 1.62 109.519 179.013 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.651 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -77.12 -43.33 34.5 Favored 'General case' 0 N--CA 1.441 -0.918 0 CA-C-N 115.096 -0.956 . . . . 0.51 110.412 179.033 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 37.0 p -60.66 -27.99 68.24 Favored 'General case' 0 N--CA 1.441 -0.917 0 N-CA-C 112.73 0.641 . . . . 0.46 112.73 179.279 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -62.12 -50.23 72.74 Favored 'General case' 0 C--O 1.216 -0.684 0 O-C-N 123.668 0.605 . . . . 3.54 109.496 177.716 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.487 ' HE2' HG12 ' A' ' 58' ' ' ILE . 84.2 t80 -54.97 -44.29 74.27 Favored 'General case' 0 C--O 1.246 0.912 0 CA-C-O 121.329 0.585 . . . . 0.83 111.016 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 62.5 mt -71.84 -66.65 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.46 0 CA-C-N 114.804 -1.089 . . . . 0.65 109.639 -177.173 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.559 HD22 ' HG3' ' A' ' 4' ' ' GLN . 50.1 tp -53.3 -34.12 56.06 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.933 1.293 . . . . 1.74 113.502 -175.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -67.18 -36.25 81.37 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-O 120.935 0.398 . . . . 1.32 111.771 -179.336 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 56.2 m80 -103.31 -60.78 1.5 Allowed 'General case' 0 C--N 1.312 -1.04 0 CA-C-O 121.215 0.531 . . . . 2.89 111.018 -176.74 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 50.04 -161.82 0.06 Allowed 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 126.034 1.734 . . . . 2.23 112.251 -176.657 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.412 -2.334 0 N-CA-C 106.901 -1.518 . . . . 3.38 106.901 175.304 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 101' ' ' SXO . . . . . 0.608 HN36 H28A ' A' ' 101' ' ' SXO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . 0.55 ' HB3' HD13 ' A' ' 7' ' ' ILE . . . . . . . . 0 N--CA 1.445 -0.695 0 N-CA-C 108.135 -1.061 . . . . 1.12 108.135 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.631 ' O ' HG12 ' A' ' 7' ' ' ILE . 1.0 OUTLIER -93.85 -168.98 1.99 Allowed 'General case' 0 C--O 1.206 -1.185 0 N-CA-C 108.748 -0.834 . . . . 1.57 108.748 177.707 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.456 ' H ' HG22 ' A' ' 3' ' ' THR . 13.1 pt20 -58.46 -43.15 88.78 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 119.665 1.12 . . . . 1.76 113.801 -170.444 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.448 ' HG2' ' HG3' ' A' ' 6' ' ' GLU . 2.9 pm0 -74.51 -35.13 63.19 Favored 'General case' 0 N--CA 1.439 -1.005 0 CA-C-O 121.728 0.775 . . . . 3.05 109.422 -178.101 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.528 ' CB ' ' HB1' ' A' ' 2' ' ' ALA . 41.4 mt-10 -74.72 -32.34 62.11 Favored 'General case' 0 N--CA 1.431 -1.404 0 CA-C-N 114.743 -1.117 . . . . 2.53 110.593 -176.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.631 HG12 ' O ' ' A' ' 3' ' ' THR . 42.8 mm -61.16 -54.8 30.3 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.523 0 N-CA-C 107.21 -1.404 . . . . 0.45 107.21 174.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.553 ' HA ' HD12 ' A' ' 11' ' ' LEU . 88.2 t -53.88 -48.78 62.21 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 CA-C-N 115.199 -0.91 . . . . 0.57 110.562 178.373 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.95 -42.68 85.47 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.227 -0.442 . . . . 0.48 111.4 177.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.83 -41.41 95.61 Favored Glycine 0 C--O 1.222 -0.62 0 N-CA-C 110.875 -0.89 . . . . 0.37 110.875 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.553 HD12 ' HA ' ' A' ' 8' ' ' VAL . 94.4 mt -56.46 -48.85 76.21 Favored 'General case' 0 C--O 1.239 0.512 0 C-N-CA 123.279 0.631 . . . . 0.33 110.296 177.318 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.1 -28.17 68.9 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.248 -0.887 . . . . 0.28 113.227 -176.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -59.06 -45.53 90.54 Favored 'General case' 0 C--O 1.237 0.411 0 N-CA-C 109.63 -0.507 . . . . 2.48 109.63 177.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.592 HG21 ' HA ' ' A' ' 46' ' ' VAL . 3.6 mp -75.01 -42.27 45.66 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.279 0 CA-C-N 115.862 -0.608 . . . . 0.44 109.839 179.185 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.655 HG11 HD13 ' A' ' 36' ' ' LEU . 21.6 t -62.53 -27.02 42.02 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.198 0 CA-C-O 121.979 0.895 . . . . 0.34 111.234 -178.706 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.423 ' HA ' ' H ' ' A' ' 21' ' ' ILE . 21.8 t-20 -69.72 -39.53 76.78 Favored 'General case' 0 C--N 1.32 -0.702 0 O-C-N 121.748 -0.595 . . . . 0.95 111.196 176.585 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -80.71 -26.95 37.13 Favored 'General case' 0 C--N 1.315 -0.915 0 C-N-CA 119.657 -0.817 . . . . 2.11 111.509 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.408 HG12 ' O ' ' A' ' 14' ' ' ILE . 47.3 mm -81.15 -55.18 8.64 Favored 'Isoleucine or valine' 0 C--O 1.244 0.767 0 C-N-CA 120.62 -0.432 . . . . 0.71 110.92 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.495 ' HB1' ' HB3' ' A' ' 37' ' ' ASP . . . -104.27 -53.88 2.64 Favored 'General case' 0 C--N 1.303 -1.45 0 CA-C-O 121.036 0.446 . . . . 0.68 111.203 -177.525 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 114.17 71.96 0.55 Allowed Glycine 0 N--CA 1.434 -1.478 0 C-N-CA 119.744 -1.217 . . . . 0.93 111.964 -178.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.423 ' H ' ' HA ' ' A' ' 16' ' ' ASN . 2.2 pp -113.89 151.03 44.4 Favored Pre-proline 0 C--N 1.294 -1.837 0 N-CA-C 109.725 -0.472 . . . . 0.6 109.725 176.449 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.419 ' C ' ' H ' ' A' ' 24' ' ' GLU . 17.4 Cg_exo -67.06 132.26 27.52 Favored 'Trans proline' 0 N--CA 1.449 -1.134 0 C-N-CA 121.782 1.655 . . . . 0.75 110.05 176.61 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.6 m -80.47 28.33 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.31 -1.115 0 CA-C-O 122.439 1.114 . . . . 1.48 112.876 -178.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.419 ' H ' ' C ' ' A' ' 22' ' ' PRO . 11.8 pt-20 -131.78 -3.95 3.65 Favored 'General case' 0 C--N 1.297 -1.705 0 CA-C-N 113.789 -1.551 . . . . 2.03 107.728 176.596 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.671 ' O ' ' HE3' ' A' ' 30' ' ' LYS . 18.2 t70 -94.11 -48.54 6.17 Favored 'General case' 0 CA--C 1.493 -1.215 0 CA-C-N 115.007 -0.997 . . . . 1.07 109.624 -174.301 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.484 ' HA ' ' HG3' ' A' ' 30' ' ' LYS . 35.0 t -71.04 94.91 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.076 0 CA-C-N 114.49 -1.232 . . . . 0.73 109.779 -177.106 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -113.62 -164.85 0.95 Allowed 'General case' 0 C--N 1.3 -1.548 0 CA-C-N 114.442 -1.253 . . . . 2.83 107.688 177.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.475 HD13 HG21 ' A' ' 8' ' ' VAL . 4.0 mm? -68.64 -33.33 73.83 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 113.087 0.773 . . . . 1.07 113.087 -177.539 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -88.35 63.92 7.33 Favored 'General case' 0 C--O 1.247 0.93 0 CA-C-O 122.718 1.247 . . . . 2.47 110.64 179.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.671 ' HE3' ' O ' ' A' ' 25' ' ' ASP . 67.2 mmtt -142.34 164.97 28.7 Favored 'General case' 0 C--N 1.309 -1.153 0 CA-C-N 113.938 -1.483 . . . . 1.06 109.775 -178.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.523 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 41.0 t -144.92 161.76 38.53 Favored 'General case' 0 C--N 1.296 -1.746 0 N-CA-C 105.304 -2.11 . . . . 1.31 105.304 175.208 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.415 ' O ' ' HB2' ' A' ' 36' ' ' LEU . 80.0 m-85 -81.54 -66.35 0.9 Allowed 'General case' 0 CA--C 1.49 -1.334 0 CA-C-O 121.331 0.586 . . . . 1.03 111.066 -168.158 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 27.9 p -92.45 36.1 1.01 Allowed 'General case' 0 C--N 1.268 -2.935 0 C-N-CA 119.369 -0.933 . . . . 1.37 112.175 -177.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.521 ' HB2' ' HB3' ' A' ' 31' ' ' SER . 6.8 m-20 -140.89 -50.89 0.45 Allowed 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.437 -0.801 . . . . 2.31 109.162 -179.319 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -110.32 6.06 22.12 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.874 -0.603 . . . . 1.67 110.91 -173.365 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.655 HD13 HG11 ' A' ' 15' ' ' VAL . 64.4 mt -112.42 -166.26 1.06 Allowed 'General case' 0 CA--C 1.504 -0.79 0 N-CA-C 108.494 -0.928 . . . . 0.69 108.494 177.737 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.495 ' HB3' ' HB1' ' A' ' 19' ' ' ALA . 19.4 t70 -74.84 -8.02 55.19 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.48 0.657 . . . . 2.15 110.393 -178.373 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 57.8 t 65.82 75.92 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.448 -0.569 0 CA-C-O 122.929 1.347 . . . . 2.23 110.876 177.267 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.75 -30.32 70.71 Favored 'General case' 0 C--N 1.303 -1.441 0 CA-C-N 113.204 -1.817 . . . . 2.96 109.256 178.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.55 ' OG ' HD22 ' A' ' 41' ' ' LEU . 28.8 t 56.13 -102.61 0.16 Allowed 'General case' 0 N--CA 1.44 -0.96 0 C-N-CA 125.543 1.537 . . . . 1.19 112.081 -178.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.55 HD22 ' OG ' ' A' ' 40' ' ' SER . 3.1 mm? -72.68 -29.15 63.17 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-O 121.748 0.785 . . . . 1.34 110.037 -177.605 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 25.6 m -73.85 -13.02 60.86 Favored 'General case' 0 C--N 1.306 -1.312 0 CA-C-N 115.302 -0.863 . . . . 1.26 111.027 179.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.4 ' O ' ' HB ' ' A' ' 46' ' ' VAL . 20.2 ttp -67.81 -21.47 65.22 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-O 121.262 0.553 . . . . 0.97 109.554 179.529 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.53 ' HA ' HG12 ' A' ' 47' ' ' VAL . 41.7 t -65.84 -26.04 37.71 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.78 0 N-CA-C 109.387 -0.598 . . . . 0.65 109.387 176.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -76.12 -26.56 56.49 Favored 'General case' 0 N--CA 1.463 0.177 0 N-CA-C 108.739 -0.838 . . . . 2.06 108.739 177.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.592 ' HA ' HG21 ' A' ' 14' ' ' ILE . 76.0 t -71.26 -60.95 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 115.106 -0.952 . . . . 1.43 108.765 177.118 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.587 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 10.1 p -55.29 -43.27 70.39 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 N-CA-C 113.08 0.77 . . . . 0.53 113.08 -176.494 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 14.8 p -61.5 -34.46 61.62 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.845 0 CA-C-O 121.463 0.649 . . . . 0.65 111.012 -178.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.665 ' O ' ' HG2' ' A' ' 53' ' ' ARG . . . -78.02 -33.36 51.19 Favored 'General case' 0 N--CA 1.439 -0.994 0 N-CA-C 109.634 -0.506 . . . . 0.32 109.634 178.364 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.83 -33.74 75.37 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 116.013 -0.54 . . . . 0.36 111.841 -178.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.587 ' HG3' ' O ' ' A' ' 47' ' ' VAL . 41.5 mt-10 -53.89 -53.56 50.88 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 123.48 0.487 . . . . 0.78 110.558 178.492 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.574 ' HG3' ' HE ' ' A' ' 53' ' ' ARG . 12.8 pt-20 -69.83 -32.28 70.6 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 116.272 -0.422 . . . . 0.96 111.412 -178.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.665 ' HG2' ' O ' ' A' ' 49' ' ' ALA . 6.7 mmp_? -63.75 -44.39 93.66 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.874 0.369 . . . . 3.85 111.079 -178.165 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -101.77 8.93 41.26 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 112.683 0.623 . . . . 0.4 112.683 -174.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 65.24 36.65 6.93 Favored 'General case' 0 N--CA 1.478 0.928 0 O-C-N 123.608 0.567 . . . . 1.95 111.803 177.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.517 HG23 ' HA ' ' A' ' 51' ' ' GLU . 21.4 m -119.89 -176.96 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.253 0 CA-C-N 116.194 -0.457 . . . . 1.37 110.553 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.445 ' HA ' ' HD2' ' A' ' 57' ' ' LYS . 23.5 tptp -149.66 105.79 3.48 Favored 'General case' 0 C--N 1.294 -1.805 0 N-CA-C 106.168 -1.79 . . . . 3.34 106.168 175.127 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 61.9 mt -104.9 110.65 64.76 Favored Pre-proline 0 C--N 1.286 -2.194 0 N-CA-C 109.926 -0.398 . . . . 0.57 109.926 -171.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.507 ' O ' HG23 ' A' ' 63' ' ' VAL . 35.5 Cg_exo -63.16 148.5 93.12 Favored 'Trans proline' 0 C--O 1.242 0.681 0 C-N-CA 122.791 2.327 . . . . 0.63 111.049 178.053 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -55.77 -31.42 62.58 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 124.775 1.23 . . . . 2.3 110.059 -177.047 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -61.96 -57.1 12.98 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 114.254 -1.339 . . . . 2.38 109.865 178.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.49 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 8.1 m-20 -62.2 -32.9 73.6 Favored 'General case' 0 CA--C 1.495 -1.156 0 CA-C-N 115.635 -0.711 . . . . 1.52 112.702 -177.155 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 59' ' ' PRO . 34.6 t -54.7 -51.2 53.71 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.714 0 O-C-N 123.603 0.564 . . . . 0.79 110.085 179.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 35.9 mtmm -82.08 -6.41 59.14 Favored 'General case' 0 C--N 1.322 -0.628 0 O-C-N 122.137 -0.352 . . . . 1.24 111.819 -178.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -94.44 -7.42 41.51 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.962 0.411 . . . . 2.07 111.026 179.104 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.566 HD13 ' HA ' ' A' ' 72' ' ' ALA . 98.4 mt -96.96 163.45 12.95 Favored 'General case' 0 C--N 1.308 -1.236 0 N-CA-C 108.276 -1.009 . . . . 0.6 108.276 176.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.2 pttp -122.69 -83.2 0.66 Allowed 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 114.755 1.391 . . . . 2.69 114.755 -176.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.482 HG22 ' HB2' ' A' ' 31' ' ' SER . 77.3 p -88.01 -177.0 5.65 Favored 'General case' 0 C--N 1.304 -1.407 0 C-N-CA 120.415 -0.514 . . . . 0.46 110.132 -175.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.6 m -81.87 -20.43 10.5 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.065 0 N-CA-C 109.015 -0.735 . . . . 0.66 109.015 176.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -79.21 -25.48 59.38 Favored Glycine 0 N--CA 1.44 -1.092 0 N-CA-C 109.375 -1.49 . . . . 0.46 109.375 176.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -83.11 -43.19 16.52 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 114.715 -0.742 . . . . 1.62 110.709 176.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.566 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -65.64 -37.65 87.15 Favored 'General case' 0 CA--C 1.503 -0.85 0 CA-C-N 115.836 -0.62 . . . . 0.51 111.173 -176.538 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.647 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 2.9 p -57.22 -34.16 68.27 Favored 'General case' 0 N--CA 1.432 -1.372 0 CA-C-N 115.735 -0.666 . . . . 0.46 112.277 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 49.4 tptt -53.56 -46.46 70.27 Favored 'General case' 0 C--O 1.224 -0.281 0 O-C-N 123.792 0.683 . . . . 3.54 111.342 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -72.5 -43.72 63.24 Favored 'General case' 0 C--N 1.309 -1.195 0 CA-C-O 121.108 0.48 . . . . 0.83 110.375 -178.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 70.7 mt -65.23 -65.33 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 CA-C-N 115.278 -0.874 . . . . 0.65 111.715 -175.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.647 ' HG ' ' O ' ' A' ' 73' ' ' THR . 4.2 pp -59.95 -22.08 62.01 Favored 'General case' 0 CA--C 1.516 -0.346 0 N-CA-C 113.071 0.767 . . . . 1.74 113.071 -173.594 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 18.6 t70 . . . . . 0 C--N 1.308 -1.229 0 CA-C-N 116.133 -0.485 . . . . 1.32 111.628 -179.858 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . 0.512 ' HB3' HD13 ' A' ' 7' ' ' ILE . . . . . . . . 0 CA--C 1.502 -0.903 0 N-CA-C 107.585 -1.265 . . . . 1.12 107.585 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.461 HG22 ' H ' ' A' ' 4' ' ' GLN . 7.6 m -90.21 168.72 11.72 Favored 'General case' 0 C--N 1.289 -2.063 0 C-N-CA 119.667 -0.813 . . . . 1.57 109.417 178.754 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.472 ' HG2' HD21 ' A' ' 28' ' ' LEU . 29.9 tt0 -44.26 -50.05 9.07 Favored 'General case' 0 CA--C 1.551 1.002 0 N-CA-C 115.944 1.831 . . . . 1.76 115.944 -169.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -64.0 -48.38 76.6 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 109.255 -0.646 . . . . 3.05 109.255 179.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -64.95 -30.23 71.21 Favored 'General case' 0 C--O 1.222 -0.347 0 CA-C-N 115.932 -0.577 . . . . 2.53 111.47 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.512 HD13 ' HB3' ' A' ' 2' ' ' ALA . 31.5 mm -59.5 -53.32 49.83 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 N-CA-C 108.733 -0.84 . . . . 0.45 108.733 175.199 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.57 HG21 HD22 ' A' ' 28' ' ' LEU . 80.0 t -59.89 -47.1 92.83 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 CA-C-N 116.373 -0.376 . . . . 0.57 110.138 178.675 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.98 -41.37 74.69 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.967 -0.56 . . . . 0.48 111.142 178.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.27 -46.19 80.9 Favored Glycine 0 N--CA 1.435 -1.368 0 N-CA-C 110.39 -1.084 . . . . 0.37 110.39 178.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.532 HD12 ' HA ' ' A' ' 8' ' ' VAL . 94.3 mt -54.13 -48.51 70.71 Favored 'General case' 0 CA--C 1.514 -0.426 0 C-N-CA 123.725 0.81 . . . . 0.33 110.27 177.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.407 ' HA ' ' HB ' ' A' ' 15' ' ' VAL . . . -58.61 -27.92 65.12 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.119 -0.946 . . . . 0.28 113.416 -177.44 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -68.25 -44.32 75.91 Favored 'General case' 0 C--O 1.245 0.826 0 C-N-CA 119.645 -0.822 . . . . 2.48 110.546 178.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.727 ' HB ' HG23 ' A' ' 46' ' ' VAL . 3.6 mp -75.86 -33.19 25.09 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.885 0 N-CA-C 108.347 -0.983 . . . . 0.44 108.347 178.56 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.529 HG12 HG13 ' A' ' 21' ' ' ILE . 96.3 t -65.78 -28.95 45.45 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.201 0 CA-C-O 121.504 0.668 . . . . 0.34 110.763 177.005 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.402 ' O ' ' HA2' ' A' ' 20' ' ' GLY . 26.2 t-20 -72.1 -33.28 67.73 Favored 'General case' 0 C--O 1.212 -0.921 0 CA-C-O 121.209 0.528 . . . . 0.95 109.86 174.242 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -70.31 -51.23 31.79 Favored 'General case' 0 C--N 1.307 -1.24 0 N-CA-C 109.434 -0.58 . . . . 2.11 109.434 177.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.587 HG13 ' HB ' ' A' ' 46' ' ' VAL . 49.7 mm -70.35 -53.67 21.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.616 -0.72 . . . . 0.71 111.829 -177.254 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -102.89 -50.91 3.4 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-O 120.972 0.415 . . . . 0.68 111.245 -174.566 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.402 ' HA2' ' O ' ' A' ' 16' ' ' ASN . . . 107.12 41.54 1.65 Allowed Glycine 0 C--N 1.308 -1.009 0 C-N-CA 119.818 -1.182 . . . . 0.93 113.277 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.529 HG13 HG12 ' A' ' 15' ' ' VAL . 2.2 pp -91.2 158.67 40.94 Favored Pre-proline 0 C--N 1.308 -1.224 0 O-C-N 122.673 -0.31 . . . . 0.6 111.446 178.653 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -69.26 124.77 11.63 Favored 'Trans proline' 0 N--CA 1.446 -1.323 0 C-N-CA 121.938 1.759 . . . . 0.75 109.282 173.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 10.6 p -54.25 -30.5 20.82 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.076 0 C-N-CA 124.042 0.937 . . . . 1.48 112.343 -178.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -88.96 -4.74 58.35 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 111.951 0.352 . . . . 2.03 111.951 -178.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -84.94 -46.29 11.39 Favored 'General case' 0 CA--C 1.502 -0.879 0 C-N-CA 120.426 -0.51 . . . . 1.07 109.676 -178.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 1.094 ' HB ' HD21 ' A' ' 36' ' ' LEU . 1.9 p -80.45 101.54 5.58 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.581 0 CA-C-O 122.138 0.97 . . . . 0.73 111.127 178.27 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 64.7 mttm -118.0 -165.43 1.1 Allowed 'General case' 0 C--N 1.294 -1.819 0 CA-C-N 113.86 -1.518 . . . . 2.83 107.725 175.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.57 HD22 HG21 ' A' ' 8' ' ' VAL . 4.0 mm? -55.74 -26.43 45.48 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 115.06 1.504 . . . . 1.07 115.06 -178.074 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -93.16 64.23 3.78 Favored 'General case' 0 C--N 1.31 -1.151 0 C-N-CA 120.536 -0.466 . . . . 2.47 110.233 178.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.75 ' HG3' ' HA ' ' A' ' 26' ' ' VAL . 35.0 mmtm -144.46 160.68 40.68 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.118 -0.946 . . . . 1.06 111.885 178.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.472 ' H ' ' HB3' ' A' ' 35' ' ' ASP . 30.3 t -140.59 149.94 42.99 Favored 'General case' 0 C--N 1.285 -2.235 0 N-CA-C 104.334 -2.469 . . . . 1.31 104.334 172.3 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.5 ' HA ' HD12 ' A' ' 36' ' ' LEU . 97.5 m-85 -66.98 -46.34 74.88 Favored 'General case' 0 C--N 1.297 -1.684 0 N-CA-C 114.02 1.118 . . . . 1.03 114.02 -165.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.873 HG21 ' HB3' ' A' ' 40' ' ' SER . 10.1 t -120.12 18.98 12.32 Favored 'General case' 0 C--N 1.278 -2.535 0 C-N-CA 118.861 -1.136 . . . . 1.37 110.456 -179.56 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -121.26 -43.28 2.43 Favored 'General case' 0 C--N 1.3 -1.553 0 CA-C-N 115.22 -0.9 . . . . 2.31 111.56 -179.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.472 ' HB3' ' H ' ' A' ' 31' ' ' SER . 3.9 t70 -104.67 -23.55 13.07 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 108.094 -1.076 . . . . 1.67 108.094 179.168 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 1.094 HD21 ' HB ' ' A' ' 26' ' ' VAL . 39.2 mt -97.7 179.63 4.76 Favored 'General case' 0 CA--C 1.51 -0.586 0 CA-C-N 115.433 -0.803 . . . . 0.69 110.247 178.448 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -108.37 23.21 14.86 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-O 121.622 0.725 . . . . 2.15 110.033 -177.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.45 HG23 ' HB3' ' A' ' 36' ' ' LEU . 23.4 t -88.49 128.84 40.47 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.718 0 N-CA-C 107.441 -1.318 . . . . 2.23 107.441 -179.296 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.467 ' HB2' ' HB2' ' A' ' 42' ' ' SER . 37.4 m-20 -69.94 144.41 52.39 Favored 'General case' 0 C--N 1.293 -1.855 0 N-CA-C 108.079 -1.082 . . . . 2.96 108.079 175.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.873 ' HB3' HG21 ' A' ' 33' ' ' THR . 46.8 p -67.58 -39.02 84.87 Favored 'General case' 0 C--N 1.295 -1.761 0 CA-C-O 121.438 0.637 . . . . 1.19 111.538 -177.219 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.7 mp -71.17 -15.78 62.5 Favored 'General case' 0 C--N 1.307 -1.279 0 CA-C-O 121.595 0.712 . . . . 1.34 109.854 177.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.467 ' HB2' ' HB2' ' A' ' 39' ' ' ASP . 47.4 t -85.28 -39.35 17.83 Favored 'General case' 0 CA--C 1.554 1.121 0 C-N-CA 124.456 1.102 . . . . 1.26 111.439 179.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.4 ' HG2' ' O ' ' A' ' 43' ' ' MET . 30.2 ttp -57.89 -22.84 50.4 Favored 'General case' 0 N--CA 1.496 1.834 0 CA-C-O 121.173 0.511 . . . . 0.97 111.955 -176.406 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 61.9 t -51.41 -36.27 17.33 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.693 0 C-N-CA 123.866 0.866 . . . . 0.65 111.331 179.181 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -72.52 -42.46 64.77 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.879 0.371 . . . . 2.06 111.596 178.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.727 HG23 ' HB ' ' A' ' 14' ' ' ILE . 5.2 p -74.11 -31.15 28.92 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.523 0 O-C-N 121.807 -0.558 . . . . 1.43 112.275 -178.381 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 13.4 p -67.87 -33.3 60.66 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.695 0 C-N-CA 119.995 -0.682 . . . . 0.53 111.831 -179.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 14.1 p -77.47 -25.19 14.88 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.655 0 CA-C-O 121.63 0.728 . . . . 0.65 110.188 178.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.35 -19.07 36.8 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.317 0.579 . . . . 0.32 110.567 178.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.12 -25.68 55.62 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 116.059 -0.519 . . . . 0.36 111.426 -179.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -60.05 -58.55 8.07 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.158 -0.474 . . . . 0.78 110.42 -179.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.416 ' HG3' ' N ' ' A' ' 53' ' ' ARG . 9.4 pt-20 -63.22 -33.37 75.35 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 121.8 0.809 . . . . 0.96 110.861 -179.709 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.416 ' N ' ' HG3' ' A' ' 52' ' ' GLU . 10.0 tpt180 -66.16 -43.72 86.17 Favored 'General case' 0 N--CA 1.435 -1.177 0 CA-C-N 114.911 -1.04 . . . . 3.85 111.479 -175.613 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -103.39 7.94 38.08 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 112.689 0.626 . . . . 0.4 112.689 -176.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 64.99 33.5 9.69 Favored 'General case' 0 N--CA 1.486 1.357 0 O-C-N 123.965 0.791 . . . . 1.95 110.558 178.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.72 HG22 ' H ' ' A' ' 57' ' ' LYS . 9.1 p -122.09 -169.88 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.295 -1.791 0 N-CA-C 108.581 -0.896 . . . . 1.37 108.581 -175.704 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.72 ' H ' HG22 ' A' ' 56' ' ' VAL . 25.6 tptp -150.94 129.61 12.3 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 104.396 -2.446 . . . . 3.34 104.396 176.54 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 39.0 mt -126.76 102.51 25.32 Favored Pre-proline 0 C--N 1.307 -1.273 0 CA-C-N 118.198 0.453 . . . . 0.57 110.265 -172.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.468 ' O ' HG23 ' A' ' 63' ' ' VAL . 19.9 Cg_exo -65.8 144.48 77.57 Favored 'Trans proline' 0 C--O 1.237 0.464 0 C-N-CA 122.894 2.396 . . . . 0.63 111.672 -179.363 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.433 ' O ' ' HB ' ' A' ' 63' ' ' VAL . 17.6 t70 -56.72 -39.44 73.93 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.326 0.65 . . . . 2.3 112.646 -176.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -63.5 -36.66 84.5 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 120.736 -0.386 . . . . 2.38 110.893 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.564 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 3.6 m-20 -74.34 -30.64 62.12 Favored 'General case' 0 C--O 1.215 -0.722 0 CA-C-N 116.521 -0.309 . . . . 1.52 110.61 177.476 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 59' ' ' PRO . 94.2 t -58.82 -58.06 8.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 108.235 -1.024 . . . . 0.79 108.235 173.487 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -61.22 -22.08 64.45 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 115.925 -0.58 . . . . 1.24 111.505 178.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.488 ' HB3' ' HA ' ' A' ' 62' ' ' ASP . 24.4 t-20 -79.91 -23.68 41.63 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 115.874 -0.603 . . . . 2.07 112.275 -179.777 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.564 ' HG ' ' O ' ' A' ' 62' ' ' ASP . 89.5 mt -85.52 -176.87 6.27 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.803 -0.443 . . . . 0.6 109.803 -179.156 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -145.86 -52.77 0.26 Allowed 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 113.051 0.759 . . . . 2.69 113.051 -179.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.495 ' HB ' ' O ' ' A' ' 30' ' ' LYS . 61.0 p -112.0 -171.82 1.92 Allowed 'General case' 0 C--N 1.319 -0.733 0 O-C-N 121.165 -0.959 . . . . 0.46 110.279 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.418 HG12 ' CZ ' ' A' ' 32' ' ' PHE . 23.7 m -81.4 -13.83 12.56 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.766 0 N-CA-C 109.29 -0.633 . . . . 0.66 109.29 176.042 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -74.77 -28.9 62.06 Favored Glycine 0 N--CA 1.441 -1.011 0 N-CA-C 109.29 -1.524 . . . . 0.46 109.29 175.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.472 ' HB3' HD22 ' A' ' 66' ' ' LEU . 9.4 m-20 -79.9 -37.0 35.63 Favored 'General case' 0 C--N 1.312 -1.024 0 N-CA-C 109.197 -0.668 . . . . 1.62 109.197 177.072 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.494 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -63.91 -53.5 49.4 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 114.817 -1.083 . . . . 0.51 110.084 -178.727 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.479 ' HA ' HG21 ' A' ' 7' ' ' ILE . 8.6 p -52.55 -47.04 67.03 Favored 'General case' 0 N--CA 1.449 -0.518 0 O-C-N 123.969 0.793 . . . . 0.46 111.802 -179.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -54.74 -54.04 47.18 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 124.101 0.876 . . . . 3.54 110.466 179.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -62.9 -45.5 92.23 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 123.523 0.514 . . . . 0.83 110.841 -176.177 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.434 HG23 HG11 ' A' ' 56' ' ' VAL . 91.9 mt -61.78 -60.89 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.039 0 CA-C-N 115.725 -0.671 . . . . 0.65 110.121 -179.683 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 60.9 tp -56.87 -31.4 64.78 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 123.839 0.855 . . . . 1.74 112.228 -177.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 23.8 t70 . . . . . 0 C--N 1.307 -1.257 0 CA-C-O 121.039 0.447 . . . . 1.32 111.656 -179.168 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . 0.556 ' HB1' ' HB2' ' A' ' 6' ' ' GLU . . . . . . . . 0 N--CA 1.434 -1.25 0 N-CA-C 107.681 -1.229 . . . . 1.12 107.681 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.464 ' O ' HG12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -92.29 179.68 5.48 Favored 'General case' 0 C--N 1.297 -1.688 0 C-N-CA 118.531 -1.267 . . . . 1.57 109.929 -178.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.411 ' H ' HG22 ' A' ' 3' ' ' THR . 32.3 tt0 -46.01 -47.81 16.77 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.37 1.068 . . . . 1.76 112.991 -174.725 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.459 ' H ' ' CD ' ' A' ' 5' ' ' GLU . 1.3 mp0 -59.84 -53.24 60.18 Favored 'General case' 0 C--N 1.307 -1.254 0 C-N-CA 123.503 0.721 . . . . 3.05 110.131 -177.508 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.556 ' HB2' ' HB1' ' A' ' 2' ' ' ALA . 15.2 mm-40 -67.75 -30.83 70.39 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.341 -0.845 . . . . 2.53 110.888 -179.497 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.464 HG12 ' O ' ' A' ' 3' ' ' THR . 30.3 mm -65.36 -48.45 83.15 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.103 0 CA-C-N 116.074 -0.512 . . . . 0.45 109.641 177.434 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.563 ' HA ' HD12 ' A' ' 11' ' ' LEU . 82.5 t -58.42 -39.7 75.63 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 CA-C-O 120.822 0.344 . . . . 0.57 110.429 177.4 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.86 -37.12 75.79 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 115.962 -0.563 . . . . 0.48 110.564 176.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -75.9 -40.11 31.55 Favored Glycine 0 C--O 1.216 -1.003 0 N-CA-C 111.254 -0.739 . . . . 0.37 111.254 177.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.563 HD12 ' HA ' ' A' ' 8' ' ' VAL . 99.2 mt -55.43 -44.23 76.11 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.25 0.62 . . . . 0.33 110.634 179.142 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.3 -20.23 66.31 Favored 'General case' 0 N--CA 1.433 -1.275 0 CA-C-N 115.366 -0.834 . . . . 0.28 112.875 -178.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -62.74 -53.88 47.6 Favored 'General case' 0 CA--C 1.5 -0.959 0 N-CA-C 108.439 -0.949 . . . . 2.48 108.439 177.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.649 HG21 ' HA ' ' A' ' 46' ' ' VAL . 2.9 mp -69.51 -40.49 79.77 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.059 0 CA-C-N 115.506 -0.77 . . . . 0.44 109.105 -177.145 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.606 HG13 HG21 ' A' ' 38' ' ' VAL . 61.1 t -63.06 -36.13 74.59 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.336 0 C-N-CA 120.552 -0.459 . . . . 0.34 111.371 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.448 ' HA ' ' H ' ' A' ' 21' ' ' ILE . 24.7 t-20 -72.42 -39.13 68.12 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 122.046 -0.409 . . . . 0.95 110.309 175.458 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -63.08 -45.68 90.99 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.741 -0.663 . . . . 2.11 110.255 179.067 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 35.6 mm -80.59 -54.27 10.91 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.93 0 CA-C-N 115.726 -0.67 . . . . 0.71 112.672 -176.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -105.14 -35.94 7.43 Favored 'General case' 0 C--N 1.304 -1.371 0 C-N-CA 120.198 -0.601 . . . . 0.68 112.33 -172.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.74 65.46 1.05 Allowed Glycine 0 C--N 1.306 -1.138 0 C-N-CA 119.991 -1.1 . . . . 0.93 112.573 178.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.544 HG12 HG12 ' A' ' 15' ' ' VAL . 2.5 pp -104.08 159.11 30.38 Favored Pre-proline 0 C--N 1.305 -1.348 0 CA-C-N 115.682 -0.259 . . . . 0.6 110.619 178.48 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_exo -72.5 133.58 20.91 Favored 'Trans proline' 0 N--CA 1.446 -1.316 0 C-N-CA 121.746 1.631 . . . . 0.75 108.415 171.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 10.6 p -66.34 -21.63 28.96 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.149 0 CA-C-O 121.458 0.647 . . . . 1.48 112.248 -174.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.461 ' O ' ' HE2' ' A' ' 27' ' ' LYS . 0.8 OUTLIER -93.19 -4.44 52.06 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-N 116.136 -0.484 . . . . 2.03 111.266 179.13 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -82.8 -33.98 27.12 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-O 121.488 0.661 . . . . 1.07 109.218 -179.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 40.0 t -76.98 90.48 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 114.894 -1.048 . . . . 0.73 110.444 -178.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.461 ' HE2' ' O ' ' A' ' 24' ' ' GLU . 74.7 mmtt -113.08 179.89 3.83 Favored 'General case' 0 C--N 1.303 -1.425 0 CA-C-N 114.662 -1.154 . . . . 2.83 108.24 175.788 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.554 HD12 ' HA2' ' A' ' 70' ' ' GLY . 3.7 mm? -67.58 -17.07 64.5 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 115.483 1.66 . . . . 1.07 115.483 -172.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -91.08 13.6 16.42 Favored 'General case' 0 C--N 1.311 -1.1 0 CA-C-O 121.069 0.461 . . . . 2.47 111.414 178.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 29.5 mmmt -103.55 143.23 33.02 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 116.115 -0.493 . . . . 1.06 109.733 179.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.523 ' OG ' ' HB3' ' A' ' 34' ' ' ASP . 11.5 p -114.1 156.73 23.64 Favored 'General case' 0 C--N 1.286 -2.155 0 N-CA-C 107.122 -1.436 . . . . 1.31 107.122 172.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.643 ' HA ' HD12 ' A' ' 36' ' ' LEU . 96.3 m-85 -70.45 -36.23 73.82 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 114.206 1.187 . . . . 1.03 114.206 -168.169 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.588 HG21 ' HB3' ' A' ' 40' ' ' SER . 10.6 t -122.51 11.26 9.89 Favored 'General case' 0 N--CA 1.422 -1.844 0 C-N-CA 119.47 -0.892 . . . . 1.37 111.913 -176.295 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.523 ' HB3' ' OG ' ' A' ' 31' ' ' SER . 36.2 t70 -117.46 -50.52 2.54 Favored 'General case' 0 C--N 1.305 -1.357 0 C-N-CA 119.215 -0.994 . . . . 2.31 111.455 177.249 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.416 ' HB2' ' H ' ' A' ' 31' ' ' SER . 28.7 m-20 -90.14 -21.14 22.38 Favored 'General case' 0 CA--C 1.493 -1.215 0 C-N-CA 120.388 -0.525 . . . . 1.67 110.502 178.167 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.643 HD12 ' HA ' ' A' ' 32' ' ' PHE . 92.8 mt -99.06 171.51 7.99 Favored 'General case' 0 N--CA 1.428 -1.544 0 N-CA-C 109.15 -0.685 . . . . 0.69 109.15 178.38 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -99.33 12.13 37.13 Favored 'General case' 0 C--N 1.309 -1.157 0 CA-C-O 122.758 1.266 . . . . 2.15 109.299 -176.045 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.606 HG21 HG13 ' A' ' 15' ' ' VAL . 23.2 t -85.14 113.93 24.43 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.972 0 CA-C-N 114.266 -1.334 . . . . 2.23 108.797 -176.516 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.418 ' O ' ' HB2' ' A' ' 42' ' ' SER . 22.1 m-20 -62.01 144.17 55.53 Favored 'General case' 0 C--N 1.306 -1.305 0 N-CA-C 107.824 -1.176 . . . . 2.96 107.824 174.155 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.588 ' HB3' HG21 ' A' ' 33' ' ' THR . 26.4 p -62.79 -40.15 96.45 Favored 'General case' 0 C--N 1.285 -2.226 0 N-CA-C 112.633 0.605 . . . . 1.19 112.633 -175.421 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.0 mp -65.54 -19.95 66.13 Favored 'General case' 0 CA--C 1.552 1.035 0 CA-C-O 121.812 0.815 . . . . 1.34 110.17 177.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.418 ' HB2' ' O ' ' A' ' 39' ' ' ASP . 50.9 m -83.95 -32.1 25.23 Favored 'General case' 0 N--CA 1.439 -0.975 0 CA-C-N 115.607 -0.724 . . . . 1.26 110.465 176.746 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 15.7 ttp -65.86 -21.25 66.45 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.374 0.607 . . . . 0.97 109.784 178.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.454 ' HA ' HG12 ' A' ' 47' ' ' VAL . 31.1 t -59.99 -23.51 27.18 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.233 0 CA-C-N 116.094 -0.503 . . . . 0.65 110.346 175.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 -80.19 -22.93 41.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.865 0.84 . . . . 2.06 109.321 176.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.649 ' HA ' HG21 ' A' ' 14' ' ' ILE . 98.2 t -80.62 -50.66 16.9 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.964 0 CA-C-N 114.842 -1.072 . . . . 1.43 109.658 -177.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.454 HG12 ' HA ' ' A' ' 44' ' ' VAL . 3.8 p -49.65 -50.16 18.17 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 N-CA-C 113.734 1.013 . . . . 0.53 113.734 -178.233 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -56.78 -51.11 71.38 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.309 0 N-CA-C 108.226 -1.028 . . . . 0.65 108.226 -179.436 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.474 ' O ' ' HG3' ' A' ' 53' ' ' ARG . . . -63.94 -29.45 70.62 Favored 'General case' 0 N--CA 1.423 -1.821 0 CA-C-N 113.623 -1.626 . . . . 0.32 111.426 -176.476 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.7 -39.53 66.92 Favored 'General case' 0 C--N 1.308 -1.235 0 CA-C-N 116.156 -0.474 . . . . 0.36 111.298 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -54.67 -48.19 72.67 Favored 'General case' 0 C--O 1.223 -0.292 0 O-C-N 123.348 0.405 . . . . 0.78 110.299 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -69.82 -43.84 71.17 Favored 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 112.555 0.576 . . . . 0.96 112.555 -178.437 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.474 ' HG3' ' O ' ' A' ' 49' ' ' ALA . 89.3 mtt180 -67.29 -37.99 84.3 Favored 'General case' 0 N--CA 1.462 0.165 0 C-N-CA 120.556 -0.458 . . . . 3.85 112.04 -176.102 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -95.24 0.56 54.05 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 112.191 0.441 . . . . 0.4 112.191 -177.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 61.32 36.92 17.42 Favored 'General case' 0 N--CA 1.486 1.357 0 CA-C-O 121.635 0.731 . . . . 1.95 110.729 -179.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.681 HG22 ' H ' ' A' ' 57' ' ' LYS . 8.7 p -122.49 -171.85 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.452 0 CA-C-N 115.583 -0.735 . . . . 1.37 109.487 -175.002 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.681 ' H ' HG22 ' A' ' 56' ' ' VAL . 68.5 mttm -138.18 131.31 30.15 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 106.141 -1.8 . . . . 3.34 106.141 175.769 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 52.7 mt -133.89 88.61 31.97 Favored Pre-proline 0 C--N 1.298 -1.664 0 N-CA-C 108.263 -1.014 . . . . 0.57 108.263 -178.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.414 ' O ' HG23 ' A' ' 63' ' ' VAL . 26.6 Cg_exo -65.43 143.47 76.21 Favored 'Trans proline' 0 N--CA 1.453 -0.866 0 C-N-CA 122.961 2.441 . . . . 0.63 112.137 -178.693 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -58.24 -24.27 58.71 Favored 'General case' 0 C--N 1.317 -0.814 0 C-N-CA 124.242 1.017 . . . . 2.3 113.36 -177.117 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -74.63 -41.48 60.32 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 108.825 -0.806 . . . . 2.38 108.825 177.003 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.495 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 22.8 m-20 -68.79 -33.46 73.91 Favored 'General case' 0 CA--C 1.498 -1.027 0 CA-C-N 115.929 -0.578 . . . . 1.52 110.642 177.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 59' ' ' PRO . 52.7 t -52.89 -54.48 16.33 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.525 0 O-C-N 124.06 0.85 . . . . 0.79 109.9 173.601 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 39.3 mtmm -67.04 -11.85 58.25 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 112.833 0.679 . . . . 1.24 112.833 -177.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -91.94 -20.29 21.55 Favored 'General case' 0 C--N 1.307 -1.254 0 CA-C-O 121.282 0.563 . . . . 2.07 109.685 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.564 HD13 ' HA ' ' A' ' 72' ' ' ALA . 89.0 mt -88.07 166.03 14.72 Favored 'General case' 0 N--CA 1.44 -0.97 0 N-CA-C 109.245 -0.65 . . . . 0.6 109.245 -178.424 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.4 ptpp? -137.43 -56.26 0.7 Allowed 'General case' 0 C--N 1.311 -1.107 0 N-CA-C 113.924 1.083 . . . . 2.69 113.924 -176.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.482 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 68.9 p -105.82 -179.87 4.07 Favored 'General case' 0 C--N 1.309 -1.174 0 O-C-N 121.435 -0.791 . . . . 0.46 109.974 -179.099 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.415 HG12 ' CZ ' ' A' ' 32' ' ' PHE . 19.6 m -77.24 -22.75 14.48 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.948 0 N-CA-C 109.444 -0.576 . . . . 0.66 109.444 176.399 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.554 ' HA2' HD12 ' A' ' 28' ' ' LEU . . . -76.17 -36.61 39.72 Favored Glycine 0 CA--C 1.496 -1.129 0 N-CA-C 109.793 -1.323 . . . . 0.46 109.793 177.543 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.438 ' OD2' ' HA ' ' A' ' 66' ' ' LEU . 21.5 t0 -72.82 -34.49 66.88 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-N 114.835 -0.683 . . . . 1.62 110.278 177.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.564 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -76.01 -37.93 57.88 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.912 -0.585 . . . . 0.51 111.856 -177.695 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.433 ' HA ' HD12 ' A' ' 76' ' ' ILE . 6.0 p -63.58 -24.55 67.85 Favored 'General case' 0 N--CA 1.44 -0.934 0 N-CA-C 113.808 1.04 . . . . 0.46 113.808 -177.371 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -69.98 -39.14 76.12 Favored 'General case' 0 C--O 1.211 -0.948 0 N-CA-C 110.121 -0.325 . . . . 3.54 110.121 178.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 78.4 t80 -68.08 -34.71 76.94 Favored 'General case' 0 C--O 1.25 1.121 0 CA-C-O 121.931 0.872 . . . . 0.83 109.943 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.433 HD12 ' HA ' ' A' ' 73' ' ' THR . 82.2 mt -68.3 -57.44 9.13 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.231 0 CA-C-N 114.977 -1.011 . . . . 0.65 108.855 177.678 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 51.7 tp -59.47 -24.42 63.55 Favored 'General case' 0 C--N 1.345 0.406 0 C-N-CA 123.739 0.816 . . . . 1.74 111.504 -178.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 14.5 t70 . . . . . 0 C--N 1.313 -1.006 0 CA-C-N 115.212 -0.904 . . . . 1.32 111.142 176.501 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.489 -1.401 0 CA-C-O 121.553 0.692 . . . . 1.12 110.01 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.526 ' O ' HG12 ' A' ' 7' ' ' ILE . 25.0 p -105.12 -174.96 2.66 Favored 'General case' 0 N--CA 1.409 -2.476 0 CA-C-N 114.859 -1.064 . . . . 1.57 112.03 -178.325 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -46.46 -46.42 18.86 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 115.598 1.703 . . . . 1.76 115.598 -171.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -74.91 -25.55 59.0 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-O 121.649 0.738 . . . . 3.05 110.624 -174.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -83.82 -36.79 23.24 Favored 'General case' 0 C--N 1.299 -1.623 0 N-CA-C 108.532 -0.914 . . . . 2.53 108.532 178.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.526 HG12 ' O ' ' A' ' 3' ' ' THR . 35.8 mm -65.73 -59.6 3.82 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.98 0 CA-C-N 114.513 -1.222 . . . . 0.45 111.156 -179.304 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 89.2 t -55.16 -48.0 76.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 O-C-N 122.992 0.182 . . . . 0.57 110.739 -177.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.468 ' O ' ' HG2' ' A' ' 13' ' ' GLU . . . -55.13 -45.6 75.6 Favored 'General case' 0 C--O 1.22 -0.474 0 O-C-N 123.52 0.512 . . . . 0.48 110.969 177.09 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.425 ' HA3' ' CZ ' ' A' ' 54' ' ' PHE . . . -66.21 -40.3 94.8 Favored Glycine 0 C--O 1.221 -0.718 0 N-CA-C 111.058 -0.817 . . . . 0.37 111.058 -179.247 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 97.2 mt -58.34 -47.27 84.29 Favored 'General case' 0 CA--C 1.511 -0.527 0 N-CA-C 109.547 -0.538 . . . . 0.33 109.547 176.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.79 -25.63 64.8 Favored 'General case' 0 C--O 1.201 -1.474 0 CA-C-N 115.474 -0.785 . . . . 0.28 111.897 -179.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.468 ' HG2' ' O ' ' A' ' 9' ' ' ALA . 33.8 mm-40 -59.8 -49.64 76.91 Favored 'General case' 0 C--O 1.239 0.537 0 N-CA-C 109.802 -0.444 . . . . 2.48 109.802 174.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.806 ' HB ' HG23 ' A' ' 46' ' ' VAL . 5.2 mp -73.51 -45.73 50.75 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.977 0 C-N-CA 119.963 -0.695 . . . . 0.44 109.752 177.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.779 HG23 HG21 ' A' ' 46' ' ' VAL . 91.1 t -60.92 -23.71 30.43 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.159 0 N-CA-C 112.554 0.575 . . . . 0.34 112.554 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -65.59 -38.48 89.6 Favored 'General case' 0 C--N 1.313 -0.996 0 O-C-N 121.463 -0.773 . . . . 0.95 110.718 176.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -76.61 -32.61 58.17 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-O 121.232 0.539 . . . . 2.11 109.84 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 65.8 mt -81.63 -53.49 11.98 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.812 0 CA-C-N 115.565 -0.743 . . . . 0.71 112.408 -177.14 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -100.8 -30.52 11.65 Favored 'General case' 0 C--N 1.314 -0.962 0 N-CA-C 112.32 0.489 . . . . 0.68 112.32 -175.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.71 47.07 5.5 Favored Glycine 0 C--N 1.31 -0.893 0 C-N-CA 120.372 -0.918 . . . . 0.93 111.219 -177.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.408 ' CG1' HG12 ' A' ' 15' ' ' VAL . 2.3 pp -106.01 157.46 34.73 Favored Pre-proline 0 C--N 1.31 -1.139 0 N-CA-C 111.612 0.227 . . . . 0.6 111.612 -179.622 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_exo -75.62 135.37 17.88 Favored 'Trans proline' 0 N--CA 1.449 -1.14 0 C-N-CA 122.641 2.227 . . . . 0.75 109.431 174.009 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 32.8 m -68.13 -20.36 25.62 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.175 0 N-CA-C 112.425 0.528 . . . . 1.48 112.425 -176.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -94.74 -5.14 46.02 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-O 120.92 0.39 . . . . 2.03 110.926 178.657 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 39.2 t70 -82.49 -34.52 27.99 Favored 'General case' 0 CA--C 1.496 -1.108 0 N-CA-C 108.296 -1.002 . . . . 1.07 108.296 178.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.704 ' HA ' ' HG3' ' A' ' 30' ' ' LYS . 41.8 t -79.17 88.75 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.338 0 CA-C-N 114.275 -1.33 . . . . 0.73 109.535 178.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -99.29 -178.37 3.89 Favored 'General case' 0 C--N 1.304 -1.407 0 N-CA-C 107.218 -1.401 . . . . 2.83 107.218 172.131 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.613 ' HA ' HG23 ' A' ' 69' ' ' VAL . 5.6 mp -64.88 -20.88 66.66 Favored 'General case' 0 C--N 1.312 -1.062 0 N-CA-C 115.35 1.611 . . . . 1.07 115.35 -169.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -85.96 -0.92 56.68 Favored 'General case' 0 C--N 1.311 -1.088 0 C-N-CA 120.486 -0.486 . . . . 2.47 111.398 -179.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.704 ' HG3' ' HA ' ' A' ' 26' ' ' VAL . 28.4 mmtm -80.45 132.08 35.67 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 112.16 0.43 . . . . 1.06 112.16 -179.077 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.474 ' HB2' HG22 ' A' ' 68' ' ' THR . 30.7 t -111.12 149.45 30.83 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 108.088 -1.078 . . . . 1.31 108.088 173.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.446 ' O ' ' HB2' ' A' ' 36' ' ' LEU . 97.8 m-85 -64.73 -54.59 29.12 Favored 'General case' 0 C--O 1.22 -0.464 0 N-CA-C 113.493 0.923 . . . . 1.03 113.493 -169.62 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.657 HG21 ' HB3' ' A' ' 40' ' ' SER . 8.0 t -128.27 71.99 1.41 Allowed 'General case' 0 C--N 1.29 -1.983 0 CA-C-O 122.958 1.361 . . . . 1.37 109.3 178.198 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -170.19 -42.93 0.02 OUTLIER 'General case' 0 C--N 1.31 -1.15 0 CA-C-N 112.958 -1.928 . . . . 2.31 107.543 -176.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -107.89 -44.87 4.11 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 107.874 -1.158 . . . . 1.67 107.874 176.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.66 HD21 ' HD2' ' A' ' 30' ' ' LYS . 79.0 mt -90.7 174.61 7.39 Favored 'General case' 0 N--CA 1.443 -0.822 0 CA-C-N 114.707 -1.133 . . . . 0.69 110.202 178.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -109.04 29.26 7.66 Favored 'General case' 0 C--N 1.315 -0.928 0 C-N-CA 123.786 0.834 . . . . 2.15 109.599 -178.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.464 ' O ' ' HB ' ' A' ' 33' ' ' THR . 47.1 t -77.93 118.1 24.31 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.118 0 CA-C-N 115.115 -0.948 . . . . 2.23 109.038 -178.659 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.428 ' HB2' ' HB2' ' A' ' 42' ' ' SER . 9.2 m-20 -52.66 130.85 33.59 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 108.86 -0.793 . . . . 2.96 108.86 175.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.657 ' HB3' HG21 ' A' ' 33' ' ' THR . 70.3 p -66.66 -49.49 65.99 Favored 'General case' 0 C--N 1.299 -1.626 0 CA-C-N 116.369 -0.378 . . . . 1.19 111.735 -173.108 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.7 mp -60.67 -26.43 67.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.685 0.755 . . . . 1.34 110.199 178.11 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.428 ' HB2' ' HB2' ' A' ' 39' ' ' ASP . 32.4 m -82.9 -24.32 33.18 Favored 'General case' 0 N--CA 1.432 -1.374 0 CA-C-N 115.558 -0.746 . . . . 1.26 110.892 179.455 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.492 ' O ' HG12 ' A' ' 46' ' ' VAL . 12.5 tmm? -70.85 -25.56 62.88 Favored 'General case' 0 C--O 1.215 -0.738 0 CA-C-O 122.142 0.973 . . . . 0.97 108.444 177.325 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.448 ' HA ' HG12 ' A' ' 47' ' ' VAL . 33.2 t -61.61 -27.92 43.06 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.739 0 CA-C-O 122.067 0.937 . . . . 0.65 108.792 175.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -80.09 -20.41 45.16 Favored 'General case' 0 N--CA 1.424 -1.728 0 CA-C-N 114.668 -1.151 . . . . 2.06 111.314 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.806 HG23 ' HB ' ' A' ' 14' ' ' ILE . 12.6 p -87.95 -35.64 8.43 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.05 0 C-N-CA 119.825 -0.75 . . . . 1.43 110.053 175.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.534 HG21 HG22 ' A' ' 63' ' ' VAL . 12.9 p -66.18 -40.7 87.71 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 C-N-CA 119.872 -0.731 . . . . 0.53 111.36 179.568 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 11.9 p -65.58 -34.53 71.04 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 CA-C-O 121.353 0.596 . . . . 0.65 110.036 177.098 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -75.28 -26.86 59.1 Favored 'General case' 0 C--O 1.21 -1.004 0 CA-C-N 115.982 -0.554 . . . . 0.32 110.335 178.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.38 -34.29 70.28 Favored 'General case' 0 C--N 1.308 -1.225 0 CA-C-N 116.57 -0.286 . . . . 0.36 110.323 179.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.588 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 39.8 mt-10 -59.1 -41.36 87.94 Favored 'General case' 0 C--O 1.217 -0.646 0 O-C-N 123.607 0.567 . . . . 0.78 110.69 179.011 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -83.75 -35.78 24.11 Favored 'General case' 0 C--N 1.307 -1.244 0 CA-C-N 116.16 -0.473 . . . . 0.96 111.839 178.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.5 tpm_? -67.99 -49.24 62.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.165 0.507 . . . . 3.85 111.269 -177.009 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.515 ' HB2' HG12 ' A' ' 56' ' ' VAL . 51.5 m-85 -97.66 -5.39 35.45 Favored 'General case' 0 C--N 1.306 -1.32 0 CA-C-N 115.95 -0.568 . . . . 0.4 111.165 -175.741 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.7 t70 76.57 -12.45 1.04 Allowed 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 124.631 1.172 . . . . 1.95 112.175 178.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.664 HG11 HG23 ' A' ' 76' ' ' ILE . 6.4 p -83.07 110.76 18.44 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.258 0 CA-C-O 121.837 0.827 . . . . 1.37 110.514 178.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 33.5 mtmm -75.27 129.21 37.05 Favored 'General case' 0 C--N 1.289 -2.034 0 CA-C-N 115.316 -0.856 . . . . 3.34 109.356 179.089 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.446 ' H ' ' HG2' ' A' ' 51' ' ' GLU . 46.0 mt -122.31 103.77 38.37 Favored Pre-proline 0 C--N 1.304 -1.373 0 N-CA-C 108.868 -0.79 . . . . 0.57 108.868 -172.405 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.507 ' O ' HG23 ' A' ' 63' ' ' VAL . 27.6 Cg_exo -65.87 152.45 81.45 Favored 'Trans proline' 0 CA--C 1.534 0.499 0 C-N-CA 123.801 3.001 . . . . 0.63 113.341 -178.733 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -52.66 -44.83 66.43 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 125.257 1.423 . . . . 2.3 111.417 -179.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -63.69 -25.3 68.14 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.081 -0.963 . . . . 2.38 111.806 179.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.427 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 54.0 m-20 -86.51 -37.32 18.34 Favored 'General case' 0 CA--C 1.503 -0.864 0 O-C-N 122.252 -0.28 . . . . 1.52 111.23 178.337 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.534 HG22 HG21 ' A' ' 47' ' ' VAL . 64.6 t -54.44 -55.24 15.96 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 123.111 0.564 . . . . 0.79 109.535 177.559 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -66.23 -12.06 53.85 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.408 -0.815 . . . . 1.24 112.347 -178.172 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -95.81 -3.54 45.44 Favored 'General case' 0 C--N 1.308 -1.199 0 CA-C-O 121.113 0.482 . . . . 2.07 110.092 -175.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.486 HD22 ' HB3' ' A' ' 71' ' ' ASP . 78.4 mt -106.95 175.74 5.4 Favored 'General case' 0 C--N 1.313 -1.009 0 C-N-CA 120.399 -0.52 . . . . 0.6 110.398 -178.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 47.6 pttt -139.97 -59.6 0.55 Allowed 'General case' 0 N--CA 1.438 -1.053 0 N-CA-C 113.262 0.838 . . . . 2.69 113.262 178.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.474 HG22 ' HB2' ' A' ' 31' ' ' SER . 68.3 p -98.97 -179.26 4.21 Favored 'General case' 0 C--N 1.309 -1.173 0 O-C-N 121.457 -0.777 . . . . 0.46 110.86 -179.42 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.613 HG23 ' HA ' ' A' ' 28' ' ' LEU . 35.7 m -79.48 -13.11 13.31 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.669 0 CA-C-O 121.395 0.617 . . . . 0.66 109.455 173.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -75.64 -25.83 66.66 Favored Glycine 0 N--CA 1.435 -1.413 0 N-CA-C 109.087 -1.605 . . . . 0.46 109.087 172.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.743 ' HA ' ' HE2' ' A' ' 74' ' ' LYS . 18.8 m-20 -80.67 -34.95 34.37 Favored 'General case' 0 CA--C 1.505 -0.755 0 N-CA-C 109.628 -0.508 . . . . 1.62 109.628 174.602 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.47 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -63.18 -53.24 56.27 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 115.238 -0.892 . . . . 0.51 110.063 -179.567 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.5 p -57.0 -51.0 70.99 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 115.711 -0.677 . . . . 0.46 110.606 177.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.743 ' HE2' ' HA ' ' A' ' 71' ' ' ASP . 37.6 ttpt -49.06 -42.74 39.67 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 124.432 1.093 . . . . 3.54 111.803 177.639 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -73.05 -50.17 24.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.091 0.472 . . . . 0.83 110.742 178.371 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.664 HG23 HG11 ' A' ' 56' ' ' VAL . 56.2 mt -53.9 -57.71 5.03 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.226 0 CA-C-N 115.456 -0.793 . . . . 0.65 112.168 -178.623 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 10.9 mp -58.84 -21.78 57.49 Favored 'General case' 0 C--N 1.317 -0.832 0 C-N-CA 123.641 0.776 . . . . 1.74 112.272 179.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 18.6 t70 . . . . . 0 C--N 1.313 -0.993 0 CA-C-O 121.594 0.711 . . . . 1.32 110.041 177.624 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.704 0 N-CA-C 106.479 -1.675 . . . . 1.12 106.479 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.569 HG22 ' H ' ' A' ' 4' ' ' GLN . 1.2 m -97.09 172.86 7.57 Favored 'General case' 0 C--N 1.295 -1.767 0 C-N-CA 119.031 -1.068 . . . . 1.57 112.771 -171.447 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.569 ' H ' HG22 ' A' ' 3' ' ' THR . 62.2 tt0 -40.01 -56.31 1.87 Allowed 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 126.452 1.901 . . . . 1.76 115.345 -170.3 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -66.23 -37.74 86.25 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 118.816 0.734 . . . . 3.05 111.438 -177.179 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -74.51 -27.52 60.58 Favored 'General case' 0 N--CA 1.438 -1.05 0 N-CA-C 109.077 -0.712 . . . . 2.53 109.077 -178.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.483 HG12 ' O ' ' A' ' 3' ' ' THR . 37.0 mm -68.22 -48.8 72.05 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.105 0 N-CA-C 108.594 -0.891 . . . . 0.45 108.594 173.577 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.472 ' HA ' HD12 ' A' ' 11' ' ' LEU . 88.8 t -53.19 -46.87 56.56 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 CA-C-N 115.881 -0.599 . . . . 0.57 110.233 177.323 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.554 ' O ' ' HG3' ' A' ' 13' ' ' GLU . . . -53.31 -46.6 69.46 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 123.852 0.72 . . . . 0.48 110.807 177.489 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.8 -39.95 93.63 Favored Glycine 0 N--CA 1.444 -0.828 0 N-CA-C 111.529 -0.628 . . . . 0.37 111.529 -179.431 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.472 HD12 ' HA ' ' A' ' 8' ' ' VAL . 91.0 mt -57.86 -51.66 68.69 Favored 'General case' 0 C--O 1.243 0.744 0 C-N-CA 123.257 0.623 . . . . 0.33 111.018 178.642 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.33 -22.35 66.92 Favored 'General case' 0 N--CA 1.443 -0.803 0 CA-C-N 115.371 -0.831 . . . . 0.28 112.797 -176.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.554 ' HG3' ' O ' ' A' ' 9' ' ' ALA . 42.7 mt-10 -62.78 -49.98 72.83 Favored 'General case' 0 C--O 1.243 0.761 0 CA-C-O 120.737 0.303 . . . . 2.48 110.523 178.102 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.562 HG21 ' HA ' ' A' ' 46' ' ' VAL . 3.6 mp -71.39 -35.4 57.09 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 N-CA-C 109.281 -0.637 . . . . 0.44 109.281 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 11' ' ' LEU . 21.5 t -69.42 -26.46 31.38 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.213 0 C-N-CA 120.215 -0.594 . . . . 0.34 110.946 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.478 ' O ' ' HA2' ' A' ' 20' ' ' GLY . 24.8 t-20 -74.24 -28.23 61.14 Favored 'General case' 0 C--O 1.214 -0.794 0 O-C-N 121.785 -0.572 . . . . 0.95 110.26 175.685 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -77.46 -52.36 9.23 Favored 'General case' 0 C--N 1.304 -1.386 0 CA-C-O 121.442 0.639 . . . . 2.11 109.741 178.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.613 HD12 HG22 ' A' ' 46' ' ' VAL . 48.3 mt -73.02 -52.41 22.32 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 CA-C-N 115.533 -0.758 . . . . 0.71 112.637 -176.46 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -97.25 -41.86 8.08 Favored 'General case' 0 C--N 1.31 -1.144 0 CA-C-O 120.999 0.428 . . . . 0.68 111.095 -177.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.478 ' HA2' ' O ' ' A' ' 16' ' ' ASN . . . 93.88 43.28 3.9 Favored Glycine 0 C--N 1.309 -0.961 0 C-N-CA 120.155 -1.022 . . . . 0.93 111.821 -179.081 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 2.4 pp -86.55 159.63 52.36 Favored Pre-proline 0 C--N 1.307 -1.251 0 N-CA-C 111.559 0.207 . . . . 0.6 111.559 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -70.4 133.58 24.72 Favored 'Trans proline' 0 N--CA 1.446 -1.306 0 C-N-CA 121.922 1.748 . . . . 0.75 108.6 171.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.9 m -66.36 -26.5 37.96 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.269 0 C-N-CA 120.43 -0.508 . . . . 1.48 112.271 -177.05 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -83.39 -7.67 59.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.838 0.351 . . . . 2.03 110.88 178.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.429 ' O ' ' HE3' ' A' ' 30' ' ' LYS . 25.9 t70 -78.11 -39.71 40.47 Favored 'General case' 0 CA--C 1.501 -0.917 0 N-CA-C 109.346 -0.612 . . . . 1.07 109.346 -177.757 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 52.6 t -71.01 91.34 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.036 0 CA-C-N 114.658 -1.155 . . . . 0.73 110.793 -178.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -113.77 169.83 8.7 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 107.708 -1.219 . . . . 2.83 107.708 173.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.411 ' HA ' HG23 ' A' ' 69' ' ' VAL . 55.3 mt -52.04 -31.12 28.58 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 114.733 1.382 . . . . 1.07 114.733 -170.351 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -79.24 -5.1 53.58 Favored 'General case' 0 C--N 1.312 -1.032 0 N-CA-C 112.708 0.633 . . . . 2.47 112.708 -179.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.568 ' HB3' ' HG ' ' A' ' 36' ' ' LEU . 73.8 mmtt -87.17 122.22 30.68 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 120.768 0.318 . . . . 1.06 111.387 -178.04 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.672 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 24.1 t -96.22 147.83 23.36 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 107.68 -1.23 . . . . 1.31 107.68 171.768 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.532 ' CZ ' HG12 ' A' ' 69' ' ' VAL . 91.9 m-85 -59.01 -36.96 75.81 Favored 'General case' 0 CA--C 1.513 -0.457 0 N-CA-C 113.316 0.858 . . . . 1.03 113.316 -170.403 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.8 t -136.63 76.2 1.58 Allowed 'General case' 0 N--CA 1.42 -1.929 0 CA-C-O 122.671 1.224 . . . . 1.37 110.999 177.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -173.54 -54.14 0.02 OUTLIER 'General case' 0 CA--C 1.488 -1.438 0 CA-C-N 113.252 -1.795 . . . . 2.31 106.508 175.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -95.97 -47.39 6.13 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 114.537 -1.21 . . . . 1.67 108.168 176.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.568 ' HG ' ' HB3' ' A' ' 30' ' ' LYS . 76.6 mt -77.7 156.29 30.76 Favored 'General case' 0 CA--C 1.494 -1.186 0 CA-C-N 115.562 -0.744 . . . . 0.69 110.287 -179.593 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -102.92 71.75 1.16 Allowed 'General case' 0 C--N 1.297 -1.694 0 CA-C-O 122.402 1.096 . . . . 2.15 109.315 -174.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 45.7 t -126.91 145.07 35.12 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.701 0 N-CA-C 105.409 -2.071 . . . . 2.23 105.409 175.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -59.65 -77.55 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 118.292 0.496 . . . . 2.96 110.37 -179.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 97.0 p -179.17 -72.83 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.329 0.652 . . . . 1.19 111.843 169.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.2 mp -58.64 -23.68 59.6 Favored 'General case' 0 N--CA 1.489 1.475 0 CA-C-O 121.993 0.902 . . . . 1.34 111.374 -179.142 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.0 m -63.75 -23.81 67.51 Favored 'General case' 0 C--N 1.295 -1.772 0 CA-C-N 115.273 -0.876 . . . . 1.26 111.75 178.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.423 ' O ' ' HB ' ' A' ' 46' ' ' VAL . 11.2 tmm? -70.17 -21.97 63.0 Favored 'General case' 0 C--O 1.21 -1.004 0 N-CA-C 109.056 -0.72 . . . . 0.97 109.056 178.637 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.551 ' HA ' HG12 ' A' ' 47' ' ' VAL . 31.3 t -64.21 -23.68 33.95 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.833 0 CA-C-O 121.581 0.705 . . . . 0.65 110.428 178.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.3 mm-40 -79.0 -21.53 46.87 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 121.56 0.695 . . . . 2.06 109.459 175.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.613 HG22 HD12 ' A' ' 18' ' ' ILE . 91.6 t -77.74 -63.23 1.13 Allowed 'Isoleucine or valine' 0 C--O 1.213 -0.854 0 N-CA-C 108.139 -1.06 . . . . 1.43 108.139 177.249 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.551 HG12 ' HA ' ' A' ' 44' ' ' VAL . 13.8 p -50.82 -39.43 18.68 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.79 0 N-CA-C 114.127 1.158 . . . . 0.53 114.127 -174.724 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 14.5 p -66.53 -33.16 61.6 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.957 0 CA-C-O 121.52 0.676 . . . . 0.65 110.737 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -86.25 -16.25 38.24 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.6 -0.727 . . . . 0.32 109.736 178.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -81.37 -53.44 6.32 Favored 'General case' 0 CA--C 1.493 -1.235 0 CA-C-N 115.14 -0.936 . . . . 0.36 110.837 -179.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.452 ' OE1' ' HD2' ' A' ' 57' ' ' LYS . 17.2 pt-20 -55.33 -45.9 76.36 Favored 'General case' 0 C--N 1.315 -0.927 0 O-C-N 123.773 0.671 . . . . 0.78 111.144 -176.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -64.7 -38.9 92.55 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-O 120.776 0.322 . . . . 0.96 111.161 178.047 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.461 ' HA ' ' HE ' ' A' ' 53' ' ' ARG . 1.2 tpm_? -62.95 -41.68 99.58 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 123.483 0.713 . . . . 3.85 110.52 -178.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -90.56 9.58 28.91 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.899 -0.591 . . . . 0.4 112.354 -176.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 62.7 29.66 16.81 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 123.543 0.737 . . . . 1.95 111.148 178.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.529 HG22 ' H ' ' A' ' 57' ' ' LYS . 9.1 p -120.52 -179.95 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.581 0 N-CA-C 109.171 -0.677 . . . . 1.37 109.171 -176.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.529 ' H ' HG22 ' A' ' 56' ' ' VAL . 31.1 tptt -134.03 119.81 19.44 Favored 'General case' 0 N--CA 1.427 -1.586 0 N-CA-C 107.718 -1.216 . . . . 3.34 107.718 174.601 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 58.5 mt -114.4 104.05 54.74 Favored Pre-proline 0 C--N 1.299 -1.604 0 N-CA-C 109.68 -0.489 . . . . 0.57 109.68 -178.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.529 ' O ' HG23 ' A' ' 63' ' ' VAL . 25.7 Cg_exo -63.72 148.29 92.17 Favored 'Trans proline' 0 CA--C 1.537 0.63 0 C-N-CA 123.394 2.73 . . . . 0.63 112.295 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -57.2 -39.96 76.48 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 124.289 1.036 . . . . 2.3 113.654 -172.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -81.03 -30.97 34.77 Favored 'General case' 0 C--N 1.306 -1.325 0 CA-C-O 121.414 0.626 . . . . 2.38 110.31 -178.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -65.49 -29.95 70.66 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.675 -0.693 . . . . 1.52 110.474 176.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 59' ' ' PRO . 92.2 t -58.8 -50.11 80.51 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.555 0 N-CA-C 109.046 -0.724 . . . . 0.79 109.046 173.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 60.6 mttm -64.55 -16.5 62.71 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.716 0.806 . . . . 1.24 111.491 -175.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 17.2 m-80 -85.89 -17.13 36.38 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.708 -0.678 . . . . 2.07 112.397 -178.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.559 HD13 ' HA ' ' A' ' 72' ' ' ALA . 81.6 mt -89.26 173.63 8.29 Favored 'General case' 0 C--N 1.313 -0.997 0 C-N-CA 120.337 -0.545 . . . . 0.6 110.054 -177.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.428 ' HB2' ' OD2' ' A' ' 71' ' ' ASP . 9.4 mtmp? -130.6 -72.84 0.55 Allowed 'General case' 0 C--N 1.311 -1.099 0 CA-C-O 121.019 0.438 . . . . 2.69 111.359 -178.425 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.672 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 45.3 p -97.21 -179.18 4.43 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 122.239 -0.288 . . . . 0.46 111.591 -176.14 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.532 HG12 ' CZ ' ' A' ' 32' ' ' PHE . 34.6 m -74.72 -17.52 16.45 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 N-CA-C 109.337 -0.616 . . . . 0.66 109.337 174.264 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -72.78 -27.42 69.09 Favored Glycine 0 N--CA 1.432 -1.633 0 N-CA-C 109.427 -1.469 . . . . 0.46 109.427 174.053 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.428 ' OD2' ' HB2' ' A' ' 67' ' ' LYS . 59.9 m-20 -83.69 -31.92 25.84 Favored 'General case' 0 C--N 1.311 -1.096 0 O-C-N 122.315 -0.52 . . . . 1.62 110.204 177.552 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.559 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -63.44 -52.47 61.36 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.352 -0.84 . . . . 0.51 109.365 178.17 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.529 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 16.5 p -54.09 -51.48 64.03 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-N 115.121 -0.945 . . . . 0.46 112.444 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.1 mtmm -56.69 -38.97 73.0 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 112.534 0.568 . . . . 3.54 112.534 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 56.6 t80 -70.04 -41.02 74.79 Favored 'General case' 0 C--O 1.242 0.681 0 CA-C-O 121.543 0.687 . . . . 0.83 109.961 -178.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.84 -59.13 4.76 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.049 0 CA-C-N 115.08 -0.963 . . . . 0.65 111.162 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' ' 73' ' ' THR . 3.3 pp -62.7 -22.96 66.89 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 112.993 0.738 . . . . 1.74 112.993 -177.598 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 21.1 t70 . . . . . 0 C--N 1.306 -1.297 0 CA-C-O 121.326 0.584 . . . . 1.32 109.861 177.054 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.473 -1.988 0 N-CA-C 108.343 -0.984 . . . . 1.12 108.343 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.589 ' O ' HG12 ' A' ' 7' ' ' ILE 0.285 7.4 p -95.18 176.82 6.08 Favored 'General case' 0 N--CA 1.403 -2.796 0 N-CA-C 113.518 0.933 . . . . 1.57 113.518 -177.056 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -55.9 -38.7 70.55 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 115.946 1.832 . . . . 1.76 115.946 -168.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -74.12 -33.33 63.54 Favored 'General case' 0 C--N 1.314 -0.935 0 N-CA-C 108.769 -0.826 . . . . 3.05 108.769 -178.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -72.18 -38.18 69.15 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.631 -0.713 . . . . 2.53 109.428 177.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.589 HG12 ' O ' ' A' ' 3' ' ' THR . 44.9 mm -60.46 -54.07 40.1 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.705 0 N-CA-C 109.099 -0.704 . . . . 0.45 109.099 177.721 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.601 HG21 HD13 ' A' ' 28' ' ' LEU . 86.6 t -57.26 -42.13 79.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 CA-C-N 116.4 -0.364 . . . . 0.57 111.18 179.392 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.39 -40.89 95.99 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.327 -0.397 . . . . 0.48 110.944 177.364 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.48 -38.31 90.68 Favored Glycine 0 C--O 1.216 -0.971 0 N-CA-C 110.881 -0.888 . . . . 0.37 110.881 178.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.586 HD12 ' HA ' ' A' ' 8' ' ' VAL . 94.4 mt -58.01 -43.74 86.86 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.356 0.598 . . . . 0.33 109.431 176.293 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.56 -25.91 67.64 Favored 'General case' 0 C--O 1.211 -0.952 0 CA-C-N 115.107 -0.951 . . . . 0.28 112.392 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -59.52 -48.74 80.5 Favored 'General case' 0 C--O 1.245 0.847 0 CA-C-O 121.565 0.697 . . . . 2.48 109.159 175.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.764 HD11 ' HG3' ' A' ' 53' ' ' ARG . 3.5 mp -74.38 -41.03 50.07 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.274 0 CA-C-N 115.334 -0.848 . . . . 0.44 109.771 179.517 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.563 HG11 HD13 ' A' ' 36' ' ' LEU . 53.6 t -63.78 -26.34 40.39 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.292 0 O-C-N 121.748 -0.595 . . . . 0.34 111.472 179.394 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -72.28 -31.27 65.6 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 121.253 0.549 . . . . 0.95 109.758 175.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -79.61 -35.91 38.81 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 115.457 -0.792 . . . . 2.11 110.39 -179.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 45.6 mm -82.99 -53.63 11.09 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.072 0 CA-C-N 115.645 -0.707 . . . . 0.71 111.473 -178.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -110.14 -45.15 3.63 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-O 120.706 0.289 . . . . 0.68 111.554 -175.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 102.6 87.17 1.99 Allowed Glycine 0 C--N 1.317 -0.522 0 C-N-CA 120.15 -1.024 . . . . 0.93 112.466 179.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.427 HD11 ' HB ' ' A' ' 15' ' ' VAL . 1.7 pp -136.79 154.77 76.62 Favored Pre-proline 0 C--N 1.303 -1.417 0 C-N-CA 123.031 0.532 . . . . 0.6 109.939 179.203 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -67.23 124.47 12.17 Favored 'Trans proline' 0 N--CA 1.446 -1.292 0 C-N-CA 121.921 1.747 . . . . 0.75 109.968 176.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 27.5 m -64.35 -8.6 4.97 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.03 0 N-CA-C 114.098 1.147 . . . . 1.48 114.098 -177.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.25 -17.42 19.84 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-O 121.115 0.483 . . . . 2.03 110.011 177.176 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -85.92 -28.86 24.05 Favored 'General case' 0 CA--C 1.497 -1.063 0 CA-C-O 121.621 0.724 . . . . 1.07 109.931 -172.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.921 ' HA ' ' HG3' ' A' ' 30' ' ' LYS . 48.6 t -77.66 89.33 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.361 0 N-CA-C 107.741 -1.207 . . . . 0.73 107.741 175.347 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -101.57 -178.29 3.68 Favored 'General case' 0 C--N 1.306 -1.31 0 CA-C-N 114.375 -1.284 . . . . 2.83 108.436 179.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.601 HD13 HG21 ' A' ' 8' ' ' VAL . 3.9 mm? -57.18 -26.37 60.51 Favored 'General case' 0 N--CA 1.482 1.127 0 N-CA-C 114.104 1.15 . . . . 1.07 114.104 -175.517 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -94.59 19.77 9.41 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 113.043 0.757 . . . . 2.47 113.043 -177.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.921 ' HG3' ' HA ' ' A' ' 26' ' ' VAL . 32.4 mmtm -89.4 167.67 12.83 Favored 'General case' 0 C--N 1.296 -1.718 0 CA-C-O 121.184 0.516 . . . . 1.06 110.289 175.008 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.546 ' OG ' ' HB2' ' A' ' 34' ' ' ASP . 12.6 p -146.25 168.43 21.08 Favored 'General case' 0 C--N 1.292 -1.918 0 N-CA-C 105.252 -2.129 . . . . 1.31 105.252 174.55 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.512 ' O ' ' HB2' ' A' ' 36' ' ' LEU . 94.5 m-85 -88.94 -38.92 14.12 Favored 'General case' 0 C--N 1.307 -1.28 0 CA-C-N 119.509 1.05 . . . . 1.03 112.557 -170.574 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.2 t -112.99 -7.69 13.7 Favored 'General case' 0 C--N 1.287 -2.115 0 C-N-CA 118.542 -1.263 . . . . 1.37 112.539 -177.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.546 ' HB2' ' OG ' ' A' ' 31' ' ' SER . 8.6 m-20 -95.95 -55.93 2.82 Favored 'General case' 0 C--N 1.29 -2.021 0 C-N-CA 119.485 -0.886 . . . . 2.31 109.056 -179.096 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -88.48 -37.61 15.65 Favored 'General case' 0 C--N 1.307 -1.24 0 CA-C-N 115.968 -0.56 . . . . 1.67 110.45 -179.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.563 HD13 HG11 ' A' ' 15' ' ' VAL . 78.0 mt -84.89 169.15 14.38 Favored 'General case' 0 CA--C 1.506 -0.728 0 C-N-CA 120.434 -0.506 . . . . 0.69 112.12 -177.258 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -92.77 17.3 10.64 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.43 -0.805 . . . . 2.15 110.696 -178.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.489 ' HB ' ' O ' ' A' ' 32' ' ' PHE . 59.4 t -82.05 123.2 37.89 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.43 0 N-CA-C 106.864 -1.532 . . . . 2.23 106.864 177.669 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -48.83 -69.32 0.12 Allowed 'General case' 0 CA--C 1.493 -1.223 0 O-C-N 124.173 0.921 . . . . 2.96 110.622 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 44.0 p 157.87 -51.05 0.0 OUTLIER 'General case' 0 C--O 1.217 -0.656 0 C-N-CA 127.143 2.177 . . . . 1.19 108.689 173.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.1 mp -59.62 -31.78 69.81 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-O 122.432 1.111 . . . . 1.34 108.638 178.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 36.9 t -68.02 -29.76 68.84 Favored 'General case' 0 CA--C 1.562 1.424 0 CA-C-N 113.979 -1.464 . . . . 1.26 112.214 176.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.421 ' O ' ' HG2' ' A' ' 43' ' ' MET . 27.4 ttp -68.46 -21.06 64.65 Favored 'General case' 0 N--CA 1.483 1.224 0 O-C-N 121.482 -0.761 . . . . 0.97 110.698 -176.591 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.502 ' HA ' HG12 ' A' ' 47' ' ' VAL . 36.5 t -58.53 -25.98 29.6 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.468 0 CA-C-N 115.959 -0.564 . . . . 0.65 111.404 -179.137 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -77.27 -28.03 53.32 Favored 'General case' 0 C--O 1.222 -0.342 0 CA-C-O 121.456 0.646 . . . . 2.06 110.248 175.004 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.606 ' HA ' HG21 ' A' ' 14' ' ' ILE . 57.8 t -73.66 -56.69 8.61 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.068 0 CA-C-N 115.4 -0.818 . . . . 1.43 109.444 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.502 HG12 ' HA ' ' A' ' 44' ' ' VAL . 12.3 p -56.87 -38.01 56.95 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.953 0 N-CA-C 112.743 0.646 . . . . 0.53 112.743 -176.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 9.5 p -69.93 -30.93 46.16 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 CA-C-O 121.142 0.496 . . . . 0.65 110.646 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.496 ' O ' ' HG2' ' A' ' 53' ' ' ARG . . . -79.56 -29.95 41.53 Favored 'General case' 0 C--O 1.212 -0.904 0 CA-C-O 121.41 0.624 . . . . 0.32 109.692 177.764 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.78 -35.11 79.53 Favored 'General case' 0 C--N 1.309 -1.177 0 O-C-N 122.113 -0.367 . . . . 0.36 111.424 179.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -55.66 -47.3 76.93 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-O 120.942 0.401 . . . . 0.78 111.088 178.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -75.54 -37.3 60.13 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 116.3 -0.409 . . . . 0.96 112.036 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.764 ' HG3' HD11 ' A' ' 14' ' ' ILE . 10.3 mmm180 -64.12 -44.54 91.92 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 112.759 0.652 . . . . 3.85 112.759 -176.722 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -99.76 6.75 45.43 Favored 'General case' 0 C--N 1.31 -1.144 0 N-CA-C 112.337 0.495 . . . . 0.4 112.337 -174.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 32.6 t70 57.28 63.81 1.78 Allowed 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 122.444 1.116 . . . . 1.95 109.768 -178.067 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.757 HG22 ' H ' ' A' ' 57' ' ' LYS . 9.3 p -145.64 -170.43 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.426 -1.632 0 CA-C-N 115.169 -0.923 . . . . 1.37 108.797 -175.704 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.757 ' H ' HG22 ' A' ' 56' ' ' VAL . 65.5 tttp -151.87 129.08 11.18 Favored 'General case' 0 C--N 1.297 -1.7 0 N-CA-C 105.794 -1.928 . . . . 3.34 105.794 179.041 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 59.2 mt -131.1 115.22 16.42 Favored Pre-proline 0 C--N 1.294 -1.816 0 N-CA-C 108.854 -0.795 . . . . 0.57 108.854 -175.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.568 ' HD3' ' OH ' ' A' ' 75' ' ' TYR . 7.5 Cg_exo -72.82 136.73 25.82 Favored 'Trans proline' 0 N--CA 1.445 -1.342 0 C-N-CA 122.326 2.017 . . . . 0.63 110.469 178.465 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -56.33 -28.74 59.92 Favored 'General case' 0 N--CA 1.482 1.173 0 CA-C-O 121.701 0.763 . . . . 2.3 110.745 178.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -59.51 -48.08 83.03 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.238 -0.892 . . . . 2.38 110.135 174.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -80.61 -20.08 44.03 Favored 'General case' 0 C--O 1.215 -0.741 0 CA-C-N 115.331 -0.85 . . . . 1.52 110.942 -173.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 59' ' ' PRO . 84.4 t -56.84 -43.29 79.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 N-CA-C 109.168 -0.678 . . . . 0.79 109.168 174.105 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 36.7 mtmm -75.36 -9.12 58.28 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.81 -0.632 . . . . 1.24 112.002 179.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -91.72 -29.21 16.95 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 109.482 -0.562 . . . . 2.07 109.482 178.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 91.5 mt -77.54 170.32 16.77 Favored 'General case' 0 C--O 1.24 0.605 0 CA-C-N 116.19 -0.459 . . . . 0.6 110.147 -179.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.0 pttp -139.72 -80.46 0.29 Allowed 'General case' 0 C--N 1.31 -1.14 0 N-CA-C 114.836 1.421 . . . . 2.69 114.836 -176.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.494 HG22 ' HB3' ' A' ' 31' ' ' SER . 69.1 p -90.75 -178.67 5.32 Favored 'General case' 0 C--N 1.306 -1.313 0 O-C-N 121.724 -0.61 . . . . 0.46 110.238 -176.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 34.2 m -81.09 -15.18 12.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 C-N-CA 120.202 -0.599 . . . . 0.66 109.598 176.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -85.76 -20.19 56.49 Favored Glycine 0 N--CA 1.444 -0.793 0 N-CA-C 109.604 -1.398 . . . . 0.46 109.604 176.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -83.51 -47.01 11.8 Favored 'General case' 0 C--N 1.306 -1.321 0 CA-C-N 114.795 -0.703 . . . . 1.62 109.356 175.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.12 -39.66 87.02 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.148 -0.933 . . . . 0.51 111.319 -178.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -55.72 -44.09 77.18 Favored 'General case' 0 C--O 1.216 -0.686 0 C-N-CA 122.713 0.405 . . . . 0.46 111.945 179.021 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -55.66 -37.0 67.68 Favored 'General case' 0 N--CA 1.451 -0.409 0 O-C-N 123.854 0.721 . . . . 3.54 111.044 -179.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.568 ' OH ' ' HD3' ' A' ' 59' ' ' PRO . 49.4 t80 -80.02 -50.78 9.89 Favored 'General case' 0 N--CA 1.446 -0.636 0 C-N-CA 120.704 -0.398 . . . . 0.83 111.19 177.432 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.409 HG23 HG11 ' A' ' 56' ' ' VAL . 90.7 mt -55.87 -57.57 7.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 C-N-CA 122.78 0.432 . . . . 0.65 110.75 -178.088 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 61.0 tp -57.98 -29.02 64.89 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 123.944 0.898 . . . . 1.74 112.045 -178.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 27.2 t70 . . . . . 0 C--N 1.311 -1.078 0 C-N-CA 119.807 -0.757 . . . . 1.32 111.784 -177.063 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . 0.418 ' HB1' ' HB2' ' A' ' 6' ' ' GLU . . . . . . . . 0 N--CA 1.447 -0.581 0 N-CA-C 108.365 -0.976 . . . . 1.12 108.365 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.59 ' O ' HG12 ' A' ' 7' ' ' ILE . 3.6 m -119.64 177.71 4.84 Favored 'General case' 0 C--N 1.304 -1.373 0 CA-C-O 117.945 -1.026 . . . . 1.57 108.762 178.753 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.544 ' H ' HG22 ' A' ' 3' ' ' THR . 8.0 tt0 -42.98 -56.49 3.28 Favored 'General case' 0 N--CA 1.485 1.287 0 N-CA-C 114.61 1.337 . . . . 1.76 114.61 -172.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -74.41 -30.22 61.84 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 109.668 -0.493 . . . . 3.05 109.668 -175.056 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.505 ' HB2' ' H ' ' A' ' 3' ' ' THR . 21.2 mm-40 -71.19 -33.06 69.6 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.718 -0.674 . . . . 2.53 109.324 178.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.59 HG12 ' O ' ' A' ' 3' ' ' THR . 41.3 mm -61.49 -54.53 33.71 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.915 0 N-CA-C 107.541 -1.281 . . . . 0.45 107.541 174.637 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 91.5 t -51.52 -53.86 14.49 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 CA-C-N 115.488 -0.778 . . . . 0.57 110.275 177.429 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.48 -38.48 80.93 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.78 -0.645 . . . . 0.48 111.852 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -68.67 -33.64 76.54 Favored Glycine 0 C--O 1.214 -1.154 0 N-CA-C 111.007 -0.837 . . . . 0.37 111.007 179.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.476 ' O ' HG23 ' A' ' 15' ' ' VAL . 90.4 mt -67.59 -55.07 14.83 Favored 'General case' 0 C--N 1.306 -1.287 0 N-CA-C 109.055 -0.72 . . . . 0.33 109.055 175.344 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.413 ' HA ' ' HB ' ' A' ' 15' ' ' VAL . . . -59.82 -30.57 69.03 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.841 -1.072 . . . . 0.28 113.752 -175.051 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.637 ' HG3' HD12 ' A' ' 14' ' ' ILE . 12.2 pt-20 -66.07 -41.2 91.04 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.196 -0.602 . . . . 2.48 111.03 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.637 HD12 ' HG3' ' A' ' 13' ' ' GLU . 4.7 mp -77.86 -32.04 17.46 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.082 0 C-N-CA 118.906 -1.118 . . . . 0.44 109.312 176.103 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 11' ' ' LEU . 75.7 t -62.76 -30.09 48.58 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.397 0 CA-C-O 121.752 0.787 . . . . 0.34 110.448 177.1 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -68.89 -28.67 66.89 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 115.597 -0.729 . . . . 0.95 110.341 175.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -82.24 -42.86 18.36 Favored 'General case' 0 C--N 1.309 -1.177 0 CA-C-N 116.239 -0.437 . . . . 2.11 109.846 178.034 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.698 HG13 ' HB ' ' A' ' 46' ' ' VAL . 48.3 mm -62.8 -53.06 51.75 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 CA-C-N 115.908 -0.587 . . . . 0.71 110.706 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.402 ' HB3' HG12 ' A' ' 38' ' ' VAL . . . -118.04 -58.4 2.01 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-O 120.888 0.375 . . . . 0.68 110.633 -178.379 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 120.12 65.0 0.27 Allowed Glycine 0 N--CA 1.438 -1.169 0 C-N-CA 119.77 -1.205 . . . . 0.93 112.847 -179.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.432 HG13 HG12 ' A' ' 15' ' ' VAL . 1.9 pp -102.87 156.79 34.86 Favored Pre-proline 0 C--N 1.307 -1.245 0 N-CA-C 109.75 -0.463 . . . . 0.6 109.75 174.296 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.653 ' HB2' ' HB2' ' A' ' 25' ' ' ASP . 24.2 Cg_exo -64.93 128.48 20.88 Favored 'Trans proline' 0 N--CA 1.443 -1.452 0 C-N-CA 121.473 1.448 . . . . 0.75 108.975 174.673 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 12.2 p -74.42 -9.22 12.69 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.062 0 CA-C-O 122.206 1.003 . . . . 1.48 110.369 -175.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -92.51 -18.42 23.19 Favored 'General case' 0 C--N 1.305 -1.329 0 CA-C-N 114.554 -1.203 . . . . 2.03 109.958 177.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.653 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 24.8 t70 -84.7 -23.82 29.21 Favored 'General case' 0 CA--C 1.505 -0.771 0 CA-C-N 115.822 -0.626 . . . . 1.07 111.38 -170.476 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.839 ' HA ' ' HG3' ' A' ' 30' ' ' LYS . 38.9 t -78.52 87.13 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.299 -1.6 0 CA-C-O 121.803 0.811 . . . . 0.73 110.716 -176.61 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 47.8 mtmt -94.37 177.92 5.79 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 107.625 -1.25 . . . . 2.83 107.625 173.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.461 ' HA ' HG23 ' A' ' 69' ' ' VAL . 3.6 mm? -65.49 -15.35 62.57 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 113.165 0.802 . . . . 1.07 113.165 -174.182 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -85.29 0.49 51.81 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 111.835 0.309 . . . . 2.47 111.835 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.839 ' HG3' ' HA ' ' A' ' 26' ' ' VAL . 74.7 mmtt -84.81 128.15 34.47 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-N 116.326 -0.397 . . . . 1.06 111.836 -179.144 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.662 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 1.8 p -112.27 154.33 25.8 Favored 'General case' 0 C--N 1.288 -2.09 0 N-CA-C 107.04 -1.467 . . . . 1.31 107.04 173.192 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.627 ' HA ' HD12 ' A' ' 36' ' ' LEU . 77.2 m-85 -74.35 -53.48 9.57 Favored 'General case' 0 CA--C 1.479 -1.758 0 N-CA-C 112.645 0.609 . . . . 1.03 112.645 -161.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.55 HG21 ' HB3' ' A' ' 40' ' ' SER . 6.1 p -118.42 30.52 7.17 Favored 'General case' 0 N--CA 1.402 -2.87 0 C-N-CA 118.913 -1.115 . . . . 1.37 110.942 176.305 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.541 ' HB2' ' OG ' ' A' ' 31' ' ' SER . 16.4 m-20 -118.82 -36.64 3.4 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 114.911 -1.04 . . . . 2.31 108.874 176.003 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -123.09 -25.04 4.59 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 120.383 -0.527 . . . . 1.67 111.733 -179.056 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.627 HD12 ' HA ' ' A' ' 32' ' ' PHE . 89.9 mt -84.16 -175.79 5.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.037 0.446 . . . . 0.69 111.951 -177.14 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -129.89 77.84 1.81 Allowed 'General case' 0 CA--C 1.483 -1.603 0 CA-C-N 115.683 -0.69 . . . . 2.15 109.46 -177.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.402 HG12 ' HB3' ' A' ' 19' ' ' ALA . 27.2 m -134.95 175.76 10.3 Favored 'Isoleucine or valine' 0 N--CA 1.414 -2.229 0 CA-C-N 114.926 -1.034 . . . . 2.23 110.621 178.436 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.416 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 11.5 t70 -94.13 132.76 38.33 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 105.711 -1.959 . . . . 2.96 105.711 170.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.55 ' HB3' HG21 ' A' ' 33' ' ' THR . 66.6 p -65.19 -52.59 53.94 Favored 'General case' 0 C--N 1.293 -1.851 0 N-CA-C 112.133 0.42 . . . . 1.19 112.133 -174.323 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.0 mp -61.05 -27.4 68.31 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.547 0.689 . . . . 1.34 110.439 -178.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.416 ' HB2' ' HB3' ' A' ' 39' ' ' ASP . 25.2 m -79.8 -13.39 59.46 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 115.897 -0.592 . . . . 1.26 112.363 176.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.43 ' HA ' HG12 ' A' ' 46' ' ' VAL . 36.6 ttp -68.93 -24.79 64.32 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 107.782 -1.192 . . . . 0.97 107.782 174.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.461 ' HA ' HG12 ' A' ' 47' ' ' VAL . 47.3 t -66.43 -23.53 31.72 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.235 0 CA-C-N 114.663 -1.153 . . . . 0.65 109.579 178.141 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -78.9 -35.45 43.56 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 115.466 -0.788 . . . . 2.06 110.113 178.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.698 ' HB ' HG13 ' A' ' 18' ' ' ILE . 7.6 p -78.13 -41.2 26.67 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.438 0 O-C-N 121.872 -0.517 . . . . 1.43 111.496 178.744 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.495 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 7.5 p -61.27 -39.43 82.58 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 C-N-CA 120.819 -0.352 . . . . 0.53 111.594 -178.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.421 ' HA ' ' OE2' ' A' ' 51' ' ' GLU . 12.7 p -67.72 -25.55 33.03 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.823 0 CA-C-O 121.397 0.618 . . . . 0.65 110.824 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.54 ' O ' ' HG2' ' A' ' 53' ' ' ARG . . . -86.17 -26.19 25.29 Favored 'General case' 0 C--O 1.217 -0.618 0 CA-C-O 121.405 0.621 . . . . 0.32 109.766 177.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.22 -34.1 70.5 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-N 116.086 -0.506 . . . . 0.36 110.531 179.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.538 ' HA ' HG23 ' A' ' 56' ' ' VAL . 42.3 mt-10 -55.61 -45.75 77.43 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 115.853 -0.612 . . . . 0.78 110.882 178.496 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -76.64 -18.88 58.34 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 116.004 -0.544 . . . . 0.96 111.909 -178.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.54 ' HG2' ' O ' ' A' ' 49' ' ' ALA . 80.3 mmt-85 -80.29 -51.61 8.69 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.806 0.336 . . . . 3.85 110.614 179.165 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.443 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 46.9 m-85 -89.25 7.93 32.94 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 113.102 0.779 . . . . 0.4 113.102 -172.736 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 65.11 30.09 11.72 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 121.325 0.583 . . . . 1.95 111.383 178.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.538 HG23 ' HA ' ' A' ' 51' ' ' GLU . 17.3 m -114.64 -173.0 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.286 -0.87 . . . . 1.37 111.774 -178.418 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -148.66 129.26 14.04 Favored 'General case' 0 N--CA 1.421 -1.922 0 N-CA-C 105.52 -2.03 . . . . 3.34 105.52 171.013 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 45.9 mt -123.43 103.3 35.4 Favored Pre-proline 0 C--N 1.288 -2.1 0 N-CA-C 109.169 -0.678 . . . . 0.57 109.169 -175.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -63.92 138.42 62.81 Favored 'Trans proline' 0 N--CA 1.452 -0.92 0 C-N-CA 122.749 2.3 . . . . 0.63 111.007 178.184 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.48 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 6.2 m-20 -53.98 -36.36 62.82 Favored 'General case' 0 C--N 1.317 -0.845 0 C-N-CA 124.174 0.989 . . . . 2.3 113.196 -175.037 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -70.77 -32.57 69.75 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.565 -0.454 . . . . 2.38 111.299 -179.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -70.49 -35.63 73.36 Favored 'General case' 0 CA--C 1.505 -0.783 0 N-CA-C 109.607 -0.516 . . . . 1.52 109.607 177.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 94.5 t -56.76 -54.11 33.45 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.587 0 CA-C-N 115.098 -0.955 . . . . 0.79 109.109 176.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.48 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 66.5 mttm -61.07 -19.31 61.27 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.858 0.863 . . . . 1.24 111.694 -174.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -88.63 -12.67 41.89 Favored 'General case' 0 C--N 1.308 -1.237 0 CA-C-N 115.747 -0.66 . . . . 2.07 112.778 -178.296 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.445 HD22 ' HB3' ' A' ' 71' ' ' ASP . 87.7 mt -90.68 178.21 6.13 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 120.447 -0.501 . . . . 0.6 111.433 -177.384 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.478 ' HB2' ' OD1' ' A' ' 71' ' ' ASP . 9.9 mtmp? -130.36 -73.39 0.55 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.388 0.613 . . . . 2.69 111.745 -175.487 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.662 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 77.2 p -102.25 -172.44 2.14 Favored 'General case' 0 N--CA 1.434 -1.272 0 CA-C-O 121.238 0.542 . . . . 0.46 110.842 -175.665 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.474 HG12 ' CZ ' ' A' ' 32' ' ' PHE . 35.5 m -77.89 -13.51 14.0 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.33 0 N-CA-C 108.772 -0.825 . . . . 0.66 108.772 171.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.463 ' O ' ' HG2' ' A' ' 74' ' ' LYS . . . -73.18 -41.69 46.03 Favored Glycine 0 N--CA 1.435 -1.385 0 N-CA-C 108.504 -1.838 . . . . 0.46 108.504 174.448 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.478 ' OD1' ' HB2' ' A' ' 67' ' ' LYS . 5.1 m-20 -66.18 -40.58 90.57 Favored 'General case' 0 CA--C 1.508 -0.664 0 CA-C-O 121.578 0.704 . . . . 1.62 109.249 175.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.439 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -63.84 -48.96 74.68 Favored 'General case' 0 N--CA 1.437 -1.079 0 CA-C-N 114.851 -1.068 . . . . 0.51 109.849 -177.193 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.604 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 8.7 p -58.01 -50.52 73.15 Favored 'General case' 0 N--CA 1.427 -1.589 0 CA-C-O 118.827 -0.606 . . . . 0.46 112.444 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.463 ' HG2' ' O ' ' A' ' 70' ' ' GLY . 46.7 mmtm -49.55 -45.98 48.25 Favored 'General case' 0 N--CA 1.478 0.97 0 O-C-N 123.874 0.734 . . . . 3.54 111.241 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -70.01 -56.73 6.22 Favored 'General case' 0 C--O 1.243 0.751 0 CA-C-N 115.726 -0.67 . . . . 0.83 111.234 179.406 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 99.1 mt -57.99 -56.16 17.54 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.708 0 CA-C-N 115.798 -0.637 . . . . 0.65 112.041 -174.278 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.604 ' HG ' ' O ' ' A' ' 73' ' ' THR . 3.9 pp -60.1 -22.2 62.48 Favored 'General case' 0 CA--C 1.519 -0.224 0 N-CA-C 112.569 0.581 . . . . 1.74 112.569 -174.179 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 13.7 t70 . . . . . 0 C--N 1.32 -0.691 0 CA-C-O 121.449 0.643 . . . . 1.32 110.503 -179.662 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.243 0.718 0 N-CA-C 109.426 -0.583 . . . . 1.12 109.426 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.565 ' O ' HG12 ' A' ' 7' ' ' ILE . 0.9 OUTLIER -94.61 177.48 5.91 Favored 'General case' 0 C--O 1.205 -1.247 0 CA-C-O 118.761 -0.638 . . . . 1.57 110.623 -176.424 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.469 ' HG2' ' HB ' ' A' ' 73' ' ' THR . 49.5 mt-30 -45.25 -56.31 4.97 Favored 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 115.459 1.652 . . . . 1.76 115.459 -171.273 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -65.61 -38.73 90.3 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-O 121.391 0.615 . . . . 3.05 110.092 -176.219 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -70.2 -34.81 73.4 Favored 'General case' 0 C--N 1.306 -1.288 0 CA-C-N 114.818 -1.083 . . . . 2.53 109.319 -179.148 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.565 HG12 ' O ' ' A' ' 3' ' ' THR . 36.4 mm -64.09 -53.26 45.88 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.947 0 N-CA-C 108.366 -0.976 . . . . 0.45 108.366 175.426 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.528 ' HA ' HD12 ' A' ' 11' ' ' LEU . 78.0 t -53.03 -47.89 53.41 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 123.576 0.75 . . . . 0.57 110.768 178.765 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.45 -39.75 73.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.886 -0.597 . . . . 0.48 110.683 177.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.422 ' C ' ' HZ ' ' A' ' 54' ' ' PHE . . . -70.98 -43.73 56.95 Favored Glycine 0 C--O 1.214 -1.116 0 N-CA-C 110.767 -0.933 . . . . 0.37 110.767 178.119 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.528 HD12 ' HA ' ' A' ' 8' ' ' VAL . 94.9 mt -52.8 -48.28 67.01 Favored 'General case' 0 CA--C 1.5 -0.968 0 C-N-CA 123.935 0.894 . . . . 0.33 110.859 -179.503 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.68 -36.26 73.92 Favored 'General case' 0 C--O 1.214 -0.805 0 CA-C-N 115.381 -0.827 . . . . 0.28 111.851 -178.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -58.92 -34.27 71.51 Favored 'General case' 0 CA--C 1.517 -0.326 0 O-C-N 123.507 0.504 . . . . 2.48 110.68 -179.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.594 ' HB ' HG23 ' A' ' 46' ' ' VAL . 4.5 mp -84.83 -38.96 13.81 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.376 0 C-N-CA 119.426 -0.91 . . . . 0.44 109.238 176.3 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 11' ' ' LEU . 20.4 t -60.06 -23.89 28.49 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.203 0 O-C-N 121.928 -0.483 . . . . 0.34 111.023 179.376 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 20.7 m120 -63.17 -49.05 75.83 Favored 'General case' 0 CA--C 1.503 -0.85 0 O-C-N 121.879 -0.513 . . . . 0.95 111.361 174.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -78.11 -24.04 47.66 Favored 'General case' 0 C--N 1.304 -1.401 0 C-N-CA 120.344 -0.542 . . . . 2.11 111.73 -176.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.719 HG13 ' HB ' ' A' ' 46' ' ' VAL . 48.1 mm -80.61 -53.0 13.5 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 CA-C-N 116.336 -0.393 . . . . 0.71 110.153 179.224 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -117.18 -57.07 2.19 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-O 120.978 0.418 . . . . 0.68 111.146 -177.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 112.39 95.15 2.21 Favored Glycine 0 C--N 1.305 -1.184 0 N-CA-C 110.496 -1.042 . . . . 0.93 110.496 -176.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.7 pp -133.71 161.93 60.74 Favored Pre-proline 0 C--N 1.3 -1.565 0 N-CA-C 111.916 0.339 . . . . 0.6 111.916 -177.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -77.33 130.05 10.73 Favored 'Trans proline' 0 N--CA 1.437 -1.795 0 N-CA-C 108.07 -1.55 . . . . 0.75 108.07 170.095 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 27.5 m -68.83 -25.15 29.67 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.189 0 N-CA-C 111.969 0.359 . . . . 1.48 111.969 -176.257 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -83.07 -9.04 59.45 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-O 121.579 0.704 . . . . 2.03 110.273 177.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.703 ' O ' ' HE3' ' A' ' 30' ' ' LYS . 17.7 t70 -83.16 -37.23 23.98 Favored 'General case' 0 N--CA 1.432 -1.353 0 N-CA-C 108.113 -1.069 . . . . 1.07 108.113 178.675 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.423 HG12 HG13 ' A' ' 8' ' ' VAL . 33.1 t -72.75 86.64 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-O 121.801 0.81 . . . . 0.73 109.791 179.763 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.563 ' H ' ' HG3' ' A' ' 30' ' ' LYS . 59.2 mttp -97.1 -164.4 1.14 Allowed 'General case' 0 C--N 1.307 -1.273 0 CA-C-N 114.093 -1.412 . . . . 2.83 108.666 178.265 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -79.25 -33.25 43.74 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 113.582 0.956 . . . . 1.07 113.582 -177.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -97.63 71.28 2.26 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-O 122.523 1.154 . . . . 2.47 108.688 177.17 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.703 ' HE3' ' O ' ' A' ' 25' ' ' ASP . 62.3 mmtt -138.34 141.46 39.73 Favored 'General case' 0 C--N 1.305 -1.328 0 CA-C-N 113.279 -1.782 . . . . 1.06 110.073 -179.513 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.573 ' HB3' ' HB3' ' A' ' 34' ' ' ASP . 15.5 t -129.67 150.57 50.93 Favored 'General case' 0 C--N 1.28 -2.445 0 N-CA-C 107.329 -1.36 . . . . 1.31 107.329 175.323 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.621 ' HA ' HD12 ' A' ' 36' ' ' LEU . 85.6 m-85 -69.53 -42.96 73.95 Favored 'General case' 0 CA--C 1.493 -1.219 0 CA-C-O 121.267 0.556 . . . . 1.03 111.563 -166.394 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.552 ' HA ' HG22 ' A' ' 38' ' ' VAL . 34.7 p -110.91 28.82 8.34 Favored 'General case' 0 N--CA 1.405 -2.699 0 C-N-CA 119.594 -0.842 . . . . 1.37 111.787 -178.502 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.573 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 11.3 t70 -133.93 -43.28 0.81 Allowed 'General case' 0 C--N 1.29 -1.986 0 CA-C-N 115.398 -0.819 . . . . 2.31 110.392 178.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.418 ' HB3' ' HD3' ' A' ' 30' ' ' LYS . 1.2 t0 -119.87 0.13 10.78 Favored 'General case' 0 C--N 1.311 -1.096 0 C-N-CA 119.919 -0.712 . . . . 1.67 111.164 -175.52 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.621 HD12 ' HA ' ' A' ' 32' ' ' PHE . 35.4 mt -111.36 -163.75 0.87 Allowed 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.088 -0.645 . . . . 0.69 110.913 -176.397 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -64.01 -23.66 67.42 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.239 0.616 . . . . 2.15 110.267 179.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.552 HG22 ' HA ' ' A' ' 33' ' ' THR . 88.4 t 76.08 84.46 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.437 -1.1 0 C-N-CA 125.32 1.448 . . . . 2.23 112.298 179.034 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.908 ' HB2' ' HB3' ' A' ' 42' ' ' SER . 12.4 p-10 -108.38 102.5 11.6 Favored 'General case' 0 C--N 1.272 -2.797 0 N-CA-C 106.465 -1.68 . . . . 2.96 106.465 167.006 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 81.6 p -81.55 -53.17 6.49 Favored 'General case' 0 C--N 1.286 -2.163 0 CA-C-N 115.346 -0.843 . . . . 1.19 112.103 -169.554 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.446 ' HA ' HD12 ' A' ' 41' ' ' LEU . 9.0 tp -88.79 -34.92 16.91 Favored 'General case' 0 N--CA 1.396 -3.15 0 CA-C-O 121.98 0.895 . . . . 1.34 109.734 179.729 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.908 ' HB3' ' HB2' ' A' ' 39' ' ' ASP . 28.1 t -63.1 -24.17 67.78 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-N 114.379 -1.282 . . . . 1.26 111.325 -178.207 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.518 ' HB2' ' O ' ' A' ' 39' ' ' ASP . 22.7 ttp -61.24 -22.15 64.54 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 120.911 0.386 . . . . 0.97 111.836 -178.36 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.495 ' HA ' HG12 ' A' ' 47' ' ' VAL . 60.5 t -56.89 -32.7 39.81 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 CA-C-O 121.369 0.604 . . . . 0.65 109.991 178.304 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -72.35 -37.11 68.9 Favored 'General case' 0 N--CA 1.432 -1.325 0 CA-C-N 115.889 -0.596 . . . . 2.06 111.749 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.719 ' HB ' HG13 ' A' ' 18' ' ' ILE . 7.5 p -77.56 -32.12 18.12 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.613 0 C-N-CA 119.792 -0.763 . . . . 1.43 111.209 178.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.495 HG12 ' HA ' ' A' ' 44' ' ' VAL . 14.1 p -70.94 -38.67 73.27 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 C-N-CA 119.329 -0.949 . . . . 0.53 111.098 178.572 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 9.1 p -70.43 -30.68 43.91 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.615 0 CA-C-O 121.426 0.632 . . . . 0.65 109.554 177.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.519 ' O ' ' HG2' ' A' ' 53' ' ' ARG . . . -74.01 -30.2 62.34 Favored 'General case' 0 C--O 1.211 -0.963 0 CA-C-N 116.034 -0.53 . . . . 0.32 110.227 177.517 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.33 -35.85 80.36 Favored 'General case' 0 C--N 1.31 -1.152 0 CA-C-O 120.745 0.307 . . . . 0.36 110.574 179.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.499 ' OE1' ' HG3' ' A' ' 57' ' ' LYS . 32.2 mt-10 -56.19 -56.06 25.5 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.303 0.573 . . . . 0.78 110.468 177.277 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -70.99 -25.7 62.82 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.186 -0.915 . . . . 0.96 112.626 -175.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.519 ' HG2' ' O ' ' A' ' 49' ' ' ALA . 25.4 mmt180 -88.25 -28.61 21.0 Favored 'General case' 0 C--N 1.318 -0.766 0 C-N-CA 120.554 -0.458 . . . . 3.85 112.132 -177.324 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.422 ' HZ ' ' C ' ' A' ' 10' ' ' GLY . 78.4 m-85 -111.41 11.5 21.49 Favored 'General case' 0 C--O 1.242 0.663 0 N-CA-C 113.397 0.888 . . . . 0.4 113.397 -175.128 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 66.53 30.23 8.63 Favored 'General case' 0 N--CA 1.496 1.842 0 C-N-CA 123.321 0.649 . . . . 1.95 110.451 178.233 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.694 HG22 ' H ' ' A' ' 57' ' ' LYS . 9.1 p -123.48 -175.01 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.299 -1.603 0 C-N-CA 120.419 -0.512 . . . . 1.37 110.164 -173.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.694 ' H ' HG22 ' A' ' 56' ' ' VAL . 13.9 ttmm -151.47 134.39 15.76 Favored 'General case' 0 N--CA 1.422 -1.843 0 N-CA-C 107.442 -1.318 . . . . 3.34 107.442 175.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 53.7 mt -133.63 113.59 13.02 Favored Pre-proline 0 C--N 1.31 -1.129 0 N-CA-C 109.381 -0.6 . . . . 0.57 109.381 -176.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.553 ' O ' HG23 ' A' ' 63' ' ' VAL . 39.0 Cg_exo -61.9 143.26 95.42 Favored 'Trans proline' 0 C--O 1.234 0.3 0 C-N-CA 123.303 2.669 . . . . 0.63 111.181 176.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -56.05 -38.49 70.68 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 124.009 0.924 . . . . 2.3 112.483 -175.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -76.08 -25.67 55.74 Favored 'General case' 0 C--N 1.315 -0.905 0 C-N-CA 120.517 -0.473 . . . . 2.38 111.999 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.44 ' HA ' ' HB3' ' A' ' 65' ' ' ASN . 2.2 t70 -79.25 -27.76 42.38 Favored 'General case' 0 C--O 1.219 -0.54 0 N-CA-C 108.607 -0.886 . . . . 1.52 108.607 -178.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 59' ' ' PRO . 58.8 t -57.34 -57.59 9.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 N-CA-C 108.266 -1.013 . . . . 0.79 108.266 174.235 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -64.24 -17.1 63.26 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 115.198 -0.91 . . . . 1.24 110.933 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.44 ' HB3' ' HA ' ' A' ' 62' ' ' ASP . 2.3 t30 -76.72 -30.43 56.63 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 115.481 -0.781 . . . . 2.07 111.098 177.036 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.556 HD13 ' HA ' ' A' ' 72' ' ' ALA . 90.0 mt -82.77 -177.81 6.87 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.522 -0.547 . . . . 0.6 109.522 -178.547 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.571 ' HG3' ' OD2' ' A' ' 71' ' ' ASP . 19.2 pttp -143.45 -60.61 0.41 Allowed 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 113.023 0.749 . . . . 2.69 113.023 178.735 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.503 HG22 ' HB2' ' A' ' 31' ' ' SER . 48.5 p -101.63 -177.83 3.54 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 119.758 -0.777 . . . . 0.46 110.806 -178.617 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 28.7 m -77.78 -15.9 14.18 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.025 0 N-CA-C 109.029 -0.73 . . . . 0.66 109.029 173.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -74.82 -37.43 44.7 Favored Glycine 0 N--CA 1.432 -1.617 0 N-CA-C 109.602 -1.399 . . . . 0.46 109.602 177.345 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.571 ' OD2' ' HG3' ' A' ' 67' ' ' LYS . 20.5 m-20 -74.73 -34.41 62.56 Favored 'General case' 0 CA--C 1.507 -0.706 0 N-CA-C 108.832 -0.803 . . . . 1.62 108.832 177.715 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.556 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -66.58 -51.55 55.23 Favored 'General case' 0 N--CA 1.436 -1.166 0 CA-C-N 114.62 -1.173 . . . . 0.51 110.504 -177.118 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.549 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 19.6 p -56.45 -40.17 74.35 Favored 'General case' 0 N--CA 1.439 -1.024 0 O-C-N 123.671 0.607 . . . . 0.46 112.52 -178.345 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -59.02 -49.66 77.04 Favored 'General case' 0 CA--C 1.514 -0.425 0 O-C-N 123.606 0.566 . . . . 3.54 110.649 178.13 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -65.87 -41.5 91.54 Favored 'General case' 0 C--O 1.244 0.808 0 CA-C-O 121.223 0.535 . . . . 0.83 110.829 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.626 ' HA ' HG21 ' A' ' 56' ' ' VAL . 92.2 mt -59.69 -57.12 13.03 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.953 0 CA-C-N 115.673 -0.694 . . . . 0.65 111.078 179.522 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' A' ' 73' ' ' THR . 3.8 pp -64.38 -21.82 66.75 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.363 0.601 . . . . 1.74 112.462 -179.158 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 33.9 t70 . . . . . 0 C--N 1.312 -1.024 0 CA-C-N 115.122 -0.944 . . . . 1.32 110.556 178.883 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . 0.564 ' HB1' ' HB2' ' A' ' 6' ' ' GLU . . . . . . . . 0 N--CA 1.443 -0.81 0 N-CA-C 108.785 -0.82 . . . . 1.12 108.785 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.576 ' O ' HG12 ' A' ' 7' ' ' ILE . 14.6 t -89.09 176.12 7.11 Favored 'General case' 0 C--O 1.194 -1.863 0 C-N-CA 119.456 -0.898 . . . . 1.57 111.668 -177.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -57.76 -29.56 64.9 Favored 'General case' 0 CA--C 1.498 -1.037 0 O-C-N 123.934 0.771 . . . . 1.76 110.037 -178.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -69.38 -42.34 75.28 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-O 121.532 0.682 . . . . 3.05 110.687 -179.512 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.564 ' HB2' ' HB1' ' A' ' 2' ' ' ALA . 38.0 mt-10 -83.04 -24.66 32.68 Favored 'General case' 0 C--N 1.295 -1.799 0 CA-C-N 114.351 -1.295 . . . . 2.53 109.195 -177.471 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.576 HG12 ' O ' ' A' ' 3' ' ' THR . 34.6 mm -72.6 -51.79 26.53 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.047 0 N-CA-C 108.94 -0.763 . . . . 0.45 108.94 179.142 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.512 HG13 HG12 ' A' ' 26' ' ' VAL . 53.0 t -52.51 -46.97 48.69 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 CA-C-N 116.019 -0.537 . . . . 0.57 109.951 177.021 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.534 ' O ' ' HG3' ' A' ' 13' ' ' GLU . . . -53.91 -46.98 71.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.372 -0.831 . . . . 0.48 111.209 179.012 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.97 -43.29 96.13 Favored Glycine 0 C--N 1.338 0.648 0 N-CA-C 111.005 -0.838 . . . . 0.37 111.005 -178.203 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.426 HD21 HD11 ' A' ' 76' ' ' ILE . 96.9 mt -57.15 -47.82 80.22 Favored 'General case' 0 C--O 1.244 0.802 0 C-N-CA 123.443 0.697 . . . . 0.33 110.931 179.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.05 -23.53 62.16 Favored 'General case' 0 N--CA 1.429 -1.496 0 CA-C-N 115.327 -0.851 . . . . 0.28 112.216 -177.345 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.534 ' HG3' ' O ' ' A' ' 9' ' ' ALA . 49.0 mt-10 -62.91 -39.77 95.56 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-N 118.009 0.368 . . . . 2.48 110.681 176.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.862 ' HB ' HG23 ' A' ' 46' ' ' VAL . 5.3 mp -77.44 -47.99 25.26 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.937 0 C-N-CA 119.899 -0.721 . . . . 0.44 109.615 176.376 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.526 HG23 HG21 ' A' ' 46' ' ' VAL . 41.1 t -61.89 -23.8 32.41 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.418 0 CA-C-O 121.265 0.555 . . . . 0.34 112.187 -178.672 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -72.66 -34.49 67.29 Favored 'General case' 0 C--O 1.213 -0.847 0 O-C-N 121.369 -0.832 . . . . 0.95 110.086 176.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -75.29 -38.64 60.26 Favored 'General case' 0 C--N 1.313 -0.988 0 N-CA-C 109.121 -0.696 . . . . 2.11 109.121 177.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 40.0 mm -74.87 -53.9 15.52 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.936 0 CA-C-N 115.43 -0.804 . . . . 0.71 112.135 -178.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -113.12 -32.84 6.2 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 113.12 0.785 . . . . 0.68 113.12 -174.04 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.97 30.57 7.03 Favored Glycine 0 C--N 1.313 -0.726 0 C-N-CA 119.775 -1.202 . . . . 0.93 114.396 176.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.503 HD11 ' HB ' ' A' ' 15' ' ' VAL . 1.9 pp -82.59 140.68 44.51 Favored Pre-proline 0 C--N 1.314 -0.957 0 CA-C-N 117.25 0.525 . . . . 0.6 111.915 176.394 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 21' ' ' ILE . 16.6 Cg_exo -64.5 142.56 78.63 Favored 'Trans proline' 0 N--CA 1.452 -0.963 0 C-N-CA 122.579 2.186 . . . . 0.75 110.374 175.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.7 m -76.05 -5.82 7.88 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.224 0 CA-C-O 121.504 0.669 . . . . 1.48 110.984 179.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -85.17 -21.55 29.14 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-N 115.281 -0.872 . . . . 2.03 108.747 175.144 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -82.66 -37.3 25.05 Favored 'General case' 0 CA--C 1.503 -0.857 0 CA-C-N 115.558 -0.747 . . . . 1.07 109.45 -176.336 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.512 HG12 HG13 ' A' ' 8' ' ' VAL . 27.9 t -73.2 87.43 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.047 0 CA-C-N 114.91 -1.041 . . . . 0.73 111.246 -176.159 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.511 ' H ' ' HG2' ' A' ' 30' ' ' LYS . 95.6 mttt -107.81 166.15 10.91 Favored 'General case' 0 C--N 1.293 -1.872 0 N-CA-C 107.091 -1.448 . . . . 2.83 107.091 174.235 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.417 ' HA ' HG23 ' A' ' 69' ' ' VAL . 3.7 mm? -49.28 -40.66 35.43 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 115.947 1.832 . . . . 1.07 115.947 -169.554 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -88.78 16.2 7.17 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 114.022 1.119 . . . . 2.47 114.022 -176.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.568 ' HD2' ' OD2' ' A' ' 35' ' ' ASP . 18.7 mmtp -84.71 124.59 31.68 Favored 'General case' 0 C--N 1.314 -0.936 0 C-N-CA 119.62 -0.832 . . . . 1.06 110.165 176.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.737 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 7.3 t -95.87 144.56 26.11 Favored 'General case' 0 C--N 1.295 -1.774 0 N-CA-C 109.086 -0.709 . . . . 1.31 109.086 177.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.649 ' HA ' HD12 ' A' ' 36' ' ' LEU . 98.0 m-85 -71.37 24.33 0.04 OUTLIER 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 124.297 1.039 . . . . 1.03 112.855 -176.433 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.756 ' HB ' ' HB3' ' A' ' 40' ' ' SER . 9.7 t -172.48 -48.34 0.02 OUTLIER 'General case' 0 N--CA 1.439 -1.018 0 C-N-CA 122.764 0.425 . . . . 1.37 110.738 175.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.484 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 13.4 t70 -62.05 -39.17 91.44 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-O 121.649 0.738 . . . . 2.31 109.784 -178.757 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.568 ' OD2' ' HD2' ' A' ' 30' ' ' LYS . 20.4 t70 -105.55 -58.05 1.95 Allowed 'General case' 0 C--N 1.308 -1.22 0 CA-C-N 115.541 -0.754 . . . . 1.67 111.27 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.649 HD12 ' HA ' ' A' ' 32' ' ' PHE . 75.2 mt -57.91 147.04 30.07 Favored 'General case' 0 CA--C 1.5 -0.964 0 N-CA-C 114.176 1.176 . . . . 0.69 114.176 -171.517 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -89.74 65.8 6.92 Favored 'General case' 0 C--N 1.296 -1.741 0 CA-C-N 113.613 -1.63 . . . . 2.15 108.089 -177.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.487 HG23 ' H ' ' A' ' 40' ' ' SER . 30.9 m -130.07 -172.33 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.402 -2.831 0 CA-C-N 112.891 -1.958 . . . . 2.23 109.393 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -117.13 25.14 10.69 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-O 121.296 0.569 . . . . 2.96 109.686 175.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.756 ' HB3' ' HB ' ' A' ' 33' ' ' THR . 95.2 p 61.93 -71.25 0.04 OUTLIER 'General case' 0 C--N 1.317 -0.833 0 C-N-CA 127.298 2.239 . . . . 1.19 114.481 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.1 mp -45.9 -24.35 0.39 Allowed 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 125.62 1.568 . . . . 1.34 114.024 -175.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.0 m -60.05 -26.91 66.51 Favored 'General case' 0 C--N 1.304 -1.396 0 C-N-CA 123.702 0.801 . . . . 1.26 111.421 177.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.485 ' HA ' HG12 ' A' ' 46' ' ' VAL . 9.3 tmm? -62.13 -22.48 65.87 Favored 'General case' 0 C--O 1.216 -0.7 0 C-N-CA 124.016 0.926 . . . . 0.97 110.66 -179.241 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 58.9 t -56.69 -26.93 24.63 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.108 0 CA-C-O 121.257 0.551 . . . . 0.65 111.113 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -81.1 -28.55 35.17 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 116.23 -0.441 . . . . 2.06 112.037 176.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.862 HG23 ' HB ' ' A' ' 14' ' ' ILE . 12.5 p -82.22 -34.25 12.12 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.076 0 C-N-CA 120.43 -0.508 . . . . 1.43 110.764 -178.558 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.421 ' O ' ' HG2' ' A' ' 51' ' ' GLU . 11.5 p -62.59 -42.46 96.01 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 C-N-CA 120.175 -0.61 . . . . 0.53 111.061 179.537 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 9.3 p -73.86 -21.37 18.13 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.723 0 CA-C-O 121.707 0.765 . . . . 0.65 110.425 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -86.15 -22.85 26.8 Favored 'General case' 0 C--O 1.21 -1.023 0 CA-C-N 115.867 -0.606 . . . . 0.32 110.124 178.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.11 -32.16 66.71 Favored 'General case' 0 C--N 1.305 -1.349 0 CA-C-N 116.359 -0.382 . . . . 0.36 110.008 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.506 ' CD ' ' H ' ' A' ' 58' ' ' ILE . 5.5 mm-40 -50.91 -55.81 15.33 Favored 'General case' 0 C--N 1.314 -0.963 0 C-N-CA 124.628 1.171 . . . . 0.78 110.514 178.553 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -75.38 -27.98 59.32 Favored 'General case' 0 C--N 1.306 -1.297 0 CA-C-N 114.518 -1.219 . . . . 0.96 111.733 -178.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.0 tpm_? -84.99 -36.88 21.03 Favored 'General case' 0 N--CA 1.437 -1.108 0 N-CA-C 112.462 0.542 . . . . 3.85 112.462 -171.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -108.72 6.72 25.95 Favored 'General case' 0 C--N 1.312 -1.057 0 N-CA-C 112.794 0.664 . . . . 0.4 112.794 -175.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 67.38 36.87 3.72 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 123.745 0.653 . . . . 1.95 110.965 -179.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.49 HG23 ' HA ' ' A' ' 51' ' ' GLU . 22.3 m -114.3 -170.46 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.104 0 CA-C-N 116.204 -0.453 . . . . 1.37 112.038 -178.576 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -167.08 101.62 0.53 Allowed 'General case' 0 C--O 1.247 0.94 0 N-CA-C 106.545 -1.65 . . . . 3.34 106.545 179.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.506 ' H ' ' CD ' ' A' ' 51' ' ' GLU . 33.1 mt -108.17 118.99 51.19 Favored Pre-proline 0 C--N 1.287 -2.141 0 CA-C-N 114.846 -1.07 . . . . 0.57 109.791 -172.766 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.454 ' O ' HG23 ' A' ' 63' ' ' VAL . 27.5 Cg_exo -62.41 129.59 27.27 Favored 'Trans proline' 0 N--CA 1.454 -0.813 0 C-N-CA 122.528 2.152 . . . . 0.63 110.115 176.176 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -50.11 -39.68 43.56 Favored 'General case' 0 N--CA 1.48 1.073 0 N-CA-C 115.351 1.611 . . . . 2.3 115.351 -173.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -83.11 -25.3 32.09 Favored 'General case' 0 C--N 1.305 -1.337 0 C-N-CA 119.086 -1.046 . . . . 2.38 112.874 177.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -71.26 -25.05 62.29 Favored 'General case' 0 C--N 1.314 -0.967 0 N-CA-C 109.529 -0.545 . . . . 1.52 109.529 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 59' ' ' PRO . 58.2 t -55.59 -45.04 78.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 CA-C-N 114.992 -1.004 . . . . 0.79 109.749 174.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -63.88 -8.65 11.73 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-N 115.174 -0.921 . . . . 1.24 113.421 -173.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 56.0 t30 -83.16 -20.11 35.36 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-O 121.138 0.494 . . . . 2.07 109.672 178.028 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 62.1 mt -84.55 176.24 8.75 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.823 -0.806 . . . . 0.6 108.823 -178.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.2 pttm -158.48 -55.32 0.07 Allowed 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 112.613 0.597 . . . . 2.69 112.613 -176.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.737 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 57.9 p -97.49 175.58 6.17 Favored 'General case' 0 N--CA 1.431 -1.392 0 C-N-CA 119.834 -0.746 . . . . 0.46 109.83 179.021 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.531 HG12 ' CZ ' ' A' ' 32' ' ' PHE . 33.4 m -76.28 -13.27 14.7 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.184 0 C-N-CA 120.451 -0.5 . . . . 0.66 110.024 175.266 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -75.8 -27.38 62.89 Favored Glycine 0 N--CA 1.442 -0.918 0 N-CA-C 110.442 -1.063 . . . . 0.46 110.442 174.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -78.37 -38.98 40.54 Favored 'General case' 0 CA--C 1.504 -0.82 0 N-CA-C 107.921 -1.14 . . . . 1.62 107.921 174.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.82 -53.1 56.11 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 114.737 -1.12 . . . . 0.51 110.812 -176.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.515 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 7.2 p -54.48 -55.03 33.19 Favored 'General case' 0 N--CA 1.447 -0.593 0 O-C-N 123.679 0.612 . . . . 0.46 111.553 179.324 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.7 tppt? -55.26 -42.54 73.63 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 124.212 0.945 . . . . 3.54 110.901 -179.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.502 ' HE1' HG12 ' A' ' 58' ' ' ILE . 39.8 t80 -65.76 -46.95 76.89 Favored 'General case' 0 C--O 1.242 0.685 0 CA-C-O 120.919 0.39 . . . . 0.83 110.337 178.683 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.426 HD11 HD21 ' A' ' 11' ' ' LEU . 83.4 mt -59.62 -59.62 3.67 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.59 0 CA-C-N 115.889 -0.596 . . . . 0.65 111.343 -179.566 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.515 ' HG ' ' O ' ' A' ' 73' ' ' THR . 3.5 pp -58.16 -22.61 52.04 Favored 'General case' 0 C--O 1.221 -0.401 0 N-CA-C 112.726 0.639 . . . . 1.74 112.726 -177.146 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 20.8 t70 . . . . . 0 C--N 1.308 -1.232 0 CA-C-N 115.323 -0.853 . . . . 1.32 111.02 178.124 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.749 0 N-CA-C 107.657 -1.238 . . . . 1.12 107.657 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.422 HG22 ' H ' ' A' ' 4' ' ' GLN . 26.2 m -145.16 170.82 15.49 Favored 'General case' 0 C--N 1.307 -1.281 0 N-CA-C 107.987 -1.116 . . . . 1.57 107.987 174.713 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.422 ' H ' HG22 ' A' ' 3' ' ' THR . 15.5 pt20 -47.22 -52.47 15.77 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 114.649 1.352 . . . . 1.76 114.649 -177.018 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -63.64 -44.44 93.86 Favored 'General case' 0 C--O 1.216 -0.685 0 N-CA-C 110.133 -0.321 . . . . 3.05 110.133 -176.013 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -59.27 -38.26 79.67 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 123.631 0.772 . . . . 2.53 111.781 176.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 41.7 mm -68.41 -50.14 59.63 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 N-CA-C 109.214 -0.661 . . . . 0.45 109.214 177.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.442 ' HA ' HD12 ' A' ' 11' ' ' LEU . 93.2 t -59.24 -39.28 78.37 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.036 0 CA-C-O 121.217 0.532 . . . . 0.57 110.839 178.517 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.26 -25.56 66.13 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 123.03 0.532 . . . . 0.48 111.119 177.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -77.52 -44.65 12.44 Favored Glycine 0 N--CA 1.438 -1.204 0 N-CA-C 109.555 -1.418 . . . . 0.37 109.555 175.074 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.442 HD12 ' HA ' ' A' ' 8' ' ' VAL . 95.3 mt -55.51 -47.01 76.91 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.723 0.809 . . . . 0.33 111.136 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.77 -25.17 67.81 Favored 'General case' 0 C--O 1.214 -0.814 0 CA-C-N 115.599 -0.728 . . . . 0.28 112.736 -177.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -61.65 -48.7 79.64 Favored 'General case' 0 C--O 1.25 1.123 0 C-N-CA 121.207 -0.197 . . . . 2.48 110.534 176.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.547 HG21 ' HA ' ' A' ' 46' ' ' VAL . 3.6 mp -73.62 -39.79 53.99 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 109.037 -0.727 . . . . 0.44 109.037 179.662 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.471 HG12 ' CG1' ' A' ' 21' ' ' ILE . 61.7 t -64.26 -29.33 47.05 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.028 0 C-N-CA 119.946 -0.702 . . . . 0.34 111.879 179.162 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -69.84 -41.82 74.41 Favored 'General case' 0 C--N 1.319 -0.759 0 O-C-N 121.555 -0.715 . . . . 0.95 110.591 175.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.476 ' HG2' ' HA ' ' A' ' 14' ' ' ILE . 10.7 pt-20 -74.55 -23.85 58.85 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.145 -0.622 . . . . 2.11 111.628 -178.783 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 47.1 mm -92.29 -54.47 7.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 C-N-CA 120.907 -0.317 . . . . 0.71 111.229 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -102.24 -26.98 13.13 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 113.253 0.835 . . . . 0.68 113.253 -171.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 86.78 44.27 5.81 Favored Glycine 0 C--N 1.314 -0.681 0 C-N-CA 120.34 -0.933 . . . . 0.93 113.041 178.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.471 ' CG1' HG12 ' A' ' 15' ' ' VAL . 2.6 pp -89.09 155.84 49.32 Favored Pre-proline 0 C--N 1.308 -1.207 0 O-C-N 122.686 -0.302 . . . . 0.6 111.643 179.355 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -78.7 138.58 15.2 Favored 'Trans proline' 0 N--CA 1.442 -1.518 0 C-N-CA 122.421 2.081 . . . . 0.75 108.947 172.222 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.2 m -85.91 23.93 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.58 0 CA-C-O 121.969 0.89 . . . . 1.48 113.137 -174.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -110.87 -17.05 13.41 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 107.01 -1.478 . . . . 2.03 107.01 174.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.583 ' O ' ' HE3' ' A' ' 30' ' ' LYS . 3.9 t70 -87.57 -47.83 8.4 Favored 'General case' 0 N--CA 1.441 -0.908 0 CA-C-N 114.7 -1.136 . . . . 1.07 110.502 -171.041 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 46.4 t -68.53 93.46 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.427 -0.806 . . . . 0.73 111.003 -177.104 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.435 ' H ' ' HG3' ' A' ' 30' ' ' LYS . 52.6 mtmt -124.14 178.57 5.26 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 107.895 -1.15 . . . . 2.83 107.895 175.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -51.95 -41.33 61.98 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 114.969 1.47 . . . . 1.07 114.969 -174.149 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -91.31 68.72 5.93 Favored 'General case' 0 C--N 1.312 -1.061 0 C-N-CA 119.18 -1.008 . . . . 2.47 111.08 179.324 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.583 ' HE3' ' O ' ' A' ' 25' ' ' ASP . 66.6 mmtt -143.07 154.5 44.01 Favored 'General case' 0 C--N 1.303 -1.425 0 CA-C-N 114.064 -1.425 . . . . 1.06 108.821 176.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.528 ' OG ' ' HB3' ' A' ' 34' ' ' ASP . 7.4 p -136.01 148.42 48.4 Favored 'General case' 0 C--N 1.287 -2.128 0 N-CA-C 106.492 -1.67 . . . . 1.31 106.492 174.6 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.474 ' O ' ' HB2' ' A' ' 36' ' ' LEU . 99.0 m-85 -66.07 -45.83 79.88 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 114.76 1.393 . . . . 1.03 114.76 -167.781 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.413 HG21 ' HB3' ' A' ' 40' ' ' SER . 8.9 t -120.42 30.86 6.73 Favored 'General case' 0 C--N 1.295 -1.784 0 C-N-CA 118.314 -1.354 . . . . 1.37 112.031 -177.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.528 ' HB3' ' OG ' ' A' ' 31' ' ' SER . 11.7 t70 -128.42 -61.76 1.06 Allowed 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 108.335 -0.987 . . . . 2.31 108.335 175.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -81.85 -34.16 30.26 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 108.688 -0.856 . . . . 1.67 108.688 176.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.477 ' HB3' HG23 ' A' ' 38' ' ' VAL . 91.8 mt -100.16 176.0 5.54 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 116.139 -0.482 . . . . 0.69 110.054 -178.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -109.98 22.45 15.6 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-O 121.814 0.816 . . . . 2.15 109.19 -178.087 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.477 HG23 ' HB3' ' A' ' 36' ' ' LEU . 33.1 t -79.5 106.05 9.92 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.568 0 CA-C-N 114.802 -1.09 . . . . 2.23 108.53 -178.006 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -55.19 126.87 26.64 Favored 'General case' 0 C--N 1.316 -0.851 0 O-C-N 123.862 0.726 . . . . 2.96 109.519 177.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.43 ' O ' HG23 ' A' ' 44' ' ' VAL . 62.1 p -58.11 -47.79 82.18 Favored 'General case' 0 C--N 1.298 -1.657 0 C-N-CA 124.596 1.158 . . . . 1.19 113.364 -173.496 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.6 mp -61.37 -26.8 68.07 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-O 121.601 0.715 . . . . 1.34 109.969 179.068 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 58.1 m -84.32 -25.23 29.41 Favored 'General case' 0 N--CA 1.436 -1.144 0 CA-C-N 115.349 -0.842 . . . . 1.26 111.121 177.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.408 ' O ' ' HB ' ' A' ' 46' ' ' VAL . 7.3 tmm? -70.15 -24.01 63.09 Favored 'General case' 0 C--O 1.217 -0.623 0 N-CA-C 107.795 -1.187 . . . . 0.97 107.795 178.399 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.496 ' HA ' HG12 ' A' ' 47' ' ' VAL . 25.9 t -63.29 -26.42 40.81 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.36 0 CA-C-N 115.119 -0.946 . . . . 0.65 109.053 175.298 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -81.44 -18.9 43.71 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.716 0.77 . . . . 2.06 109.553 177.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.547 ' HA ' HG21 ' A' ' 14' ' ' ILE . 88.2 t -78.99 -56.08 8.09 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.276 0 N-CA-C 108.177 -1.045 . . . . 1.43 108.177 175.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.541 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 14.8 p -56.89 -33.47 41.74 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 N-CA-C 112.968 0.729 . . . . 0.53 112.968 -177.661 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 12.7 p -67.11 -27.98 41.19 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.11 0 C-N-CA 120.017 -0.673 . . . . 0.65 110.511 178.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -86.45 -23.36 26.05 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.699 0.762 . . . . 0.32 109.267 176.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.39 -37.38 71.57 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 115.728 -0.669 . . . . 0.36 110.575 179.041 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.541 ' HG3' ' O ' ' A' ' 47' ' ' VAL . 39.6 mt-10 -57.82 -48.42 79.8 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.318 0.58 . . . . 0.78 110.385 178.311 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -73.23 -35.42 66.28 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.674 -0.694 . . . . 0.96 112.124 -179.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.45 ' HA ' ' HD2' ' A' ' 53' ' ' ARG . 13.3 tpt180 -72.01 -52.1 18.62 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 120.847 0.356 . . . . 3.85 111.85 -178.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -86.92 2.88 47.83 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 116.099 -0.501 . . . . 0.4 111.894 -174.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 26.7 t70 66.38 10.76 7.5 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.256 1.022 . . . . 1.95 111.914 173.165 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.539 ' O ' ' HA ' ' A' ' 51' ' ' GLU . 4.5 p -119.65 121.32 65.94 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.422 0 CA-C-N 115.596 -0.729 . . . . 1.37 109.533 -176.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -70.94 126.87 30.76 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 115.562 -0.745 . . . . 3.34 109.308 179.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.466 ' H ' ' HG2' ' A' ' 51' ' ' GLU . 24.9 mt -129.69 95.78 28.47 Favored Pre-proline 0 C--N 1.298 -1.646 0 N-CA-C 107.615 -1.254 . . . . 0.57 107.615 -176.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.417 ' O ' HG23 ' A' ' 63' ' ' VAL . 31.6 Cg_exo -62.4 125.25 15.84 Favored 'Trans proline' 0 N--CA 1.453 -0.863 0 C-N-CA 122.274 1.983 . . . . 0.63 110.197 -179.424 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.622 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 7.2 p-10 -58.86 -25.75 63.59 Favored 'General case' 0 C--O 1.216 -0.698 0 O-C-N 123.245 0.341 . . . . 2.3 111.13 -177.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -62.81 -34.93 78.33 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 122.768 0.427 . . . . 2.38 111.004 176.119 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -84.11 -30.4 25.98 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 108.826 -0.805 . . . . 1.52 108.826 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.531 HG21 HG21 ' A' ' 47' ' ' VAL . 91.8 t -59.05 -23.87 25.51 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 CA-C-N 114.829 -1.078 . . . . 0.79 110.833 177.051 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.622 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 92.7 mttt -75.54 -3.07 32.05 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.605 -0.725 . . . . 1.24 111.161 -178.144 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 59.9 m-20 -98.54 -20.81 16.84 Favored 'General case' 0 CA--C 1.509 -0.632 0 N-CA-C 109.56 -0.533 . . . . 2.07 109.56 177.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.598 HD13 ' HA ' ' A' ' 72' ' ' ALA . 55.3 mt -86.22 162.31 18.37 Favored 'General case' 0 N--CA 1.439 -1.008 0 C-N-CA 120.692 -0.403 . . . . 0.6 110.915 -172.504 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 51.3 mtpt -131.03 -62.82 0.88 Allowed 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 112.669 0.618 . . . . 2.69 112.669 -176.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 63.2 p -93.09 177.0 6.2 Favored 'General case' 0 C--N 1.306 -1.296 0 C-N-CA 119.925 -0.71 . . . . 0.46 111.216 -178.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.451 HG12 ' CE2' ' A' ' 32' ' ' PHE . 24.1 m -83.97 -16.79 10.75 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.084 0 N-CA-C 109.963 -0.384 . . . . 0.66 109.963 177.334 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -78.6 -29.08 53.71 Favored Glycine 0 N--CA 1.443 -0.834 0 N-CA-C 109.044 -1.622 . . . . 0.46 109.044 174.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -77.73 -28.69 50.85 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 114.274 -0.963 . . . . 1.62 108.745 175.144 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.598 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -73.44 -49.38 27.22 Favored 'General case' 0 C--O 1.245 0.843 0 CA-C-N 115.173 -0.921 . . . . 0.51 110.592 178.32 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.486 ' O ' ' HB2' ' A' ' 77' ' ' LEU . 7.7 p -56.68 -37.89 71.5 Favored 'General case' 0 C--O 1.19 -2.068 0 CA-C-N 116.121 -0.49 . . . . 0.46 111.099 178.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.9 ttpp -51.61 -35.71 42.86 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 123.89 0.876 . . . . 3.54 112.986 179.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -76.67 -54.87 6.07 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.797 0.808 . . . . 0.83 108.987 177.34 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 93.5 mt -55.14 -46.9 77.77 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.089 0 C-N-CA 125.26 1.424 . . . . 0.65 112.123 -177.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.486 ' HB2' ' O ' ' A' ' 73' ' ' THR . 14.1 tp -51.68 -23.32 4.28 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 127.472 2.309 . . . . 1.74 112.181 -176.14 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 27.0 t70 . . . . . 0 C--N 1.32 -0.693 0 CA-C-O 121.286 0.565 . . . . 1.32 110.863 -178.952 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . 0.432 ' HB1' ' HB2' ' A' ' 6' ' ' GLU . . . . . . . . 0 C--O 1.214 -0.783 0 N-CA-C 110.591 -0.151 . . . . 1.12 110.591 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.59 ' O ' HG12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -102.31 -174.2 2.51 Favored 'General case' 0 C--N 1.306 -1.299 0 C-N-CA 119.356 -0.938 . . . . 1.57 112.744 -174.018 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -44.51 -53.88 6.57 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 114.957 1.466 . . . . 1.76 114.957 -169.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -66.68 -40.97 88.77 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.193 0.521 . . . . 3.05 110.39 -176.016 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.432 ' HB2' ' HB1' ' A' ' 2' ' ' ALA . 1.4 mp0 -65.9 -34.48 78.23 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.147 -0.933 . . . . 2.53 109.836 177.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.59 HG12 ' O ' ' A' ' 3' ' ' THR . 44.7 mm -61.57 -57.7 10.92 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.789 0 N-CA-C 108.876 -0.787 . . . . 0.45 108.876 177.212 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 70.9 t -51.18 -51.41 22.7 Favored 'Isoleucine or valine' 0 C--O 1.243 0.736 0 C-N-CA 123.568 0.747 . . . . 0.57 110.625 178.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.45 -32.44 71.38 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.814 -0.63 . . . . 0.48 111.649 179.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.456 ' C ' ' HZ ' ' A' ' 54' ' ' PHE . . . -77.83 -40.61 21.19 Favored Glycine 0 C--O 1.216 -0.984 0 N-CA-C 111.473 -0.651 . . . . 0.37 111.473 178.765 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' A' ' 7' ' ' ILE . 95.9 mt -54.39 -46.25 73.05 Favored 'General case' 0 CA--C 1.506 -0.725 0 C-N-CA 123.558 0.743 . . . . 0.33 110.497 -179.452 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.415 ' HB2' ' HB ' ' A' ' 26' ' ' VAL . . . -64.98 -23.66 67.28 Favored 'General case' 0 C--O 1.199 -1.599 0 CA-C-N 115.338 -0.846 . . . . 0.28 112.211 -179.501 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -66.69 -43.2 85.06 Favored 'General case' 0 CA--C 1.503 -0.85 0 CA-C-O 120.719 0.295 . . . . 2.48 110.243 178.118 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.601 HG21 ' HA ' ' A' ' 46' ' ' VAL . 4.2 mp -74.21 -39.92 50.14 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.049 0 N-CA-C 108.604 -0.887 . . . . 0.44 108.604 177.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.447 HG12 ' CG1' ' A' ' 21' ' ' ILE . 40.4 t -65.88 -24.03 33.37 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.378 0 C-N-CA 119.987 -0.685 . . . . 0.34 111.026 179.183 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -71.58 -47.72 52.98 Favored 'General case' 0 C--O 1.213 -0.833 0 CA-C-N 116.313 -0.403 . . . . 0.95 110.742 176.269 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -69.09 -23.77 64.05 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.107 0.479 . . . . 2.11 111.553 -178.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 39.9 mm -89.55 -53.63 8.99 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.067 0 CA-C-N 115.894 -0.594 . . . . 0.71 111.832 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -111.28 -5.78 14.63 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 114.51 1.3 . . . . 0.68 114.51 -172.293 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.3 44.48 74.72 Favored Glycine 0 C--N 1.311 -0.826 0 C-N-CA 120.751 -0.738 . . . . 0.93 113.028 -179.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.447 ' CG1' HG12 ' A' ' 15' ' ' VAL . 2.6 pp -94.79 155.92 38.76 Favored Pre-proline 0 C--N 1.306 -1.294 0 O-C-N 122.331 -0.511 . . . . 0.6 111.142 177.734 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_exo -67.76 137.3 41.51 Favored 'Trans proline' 0 N--CA 1.448 -1.175 0 C-N-CA 121.951 1.767 . . . . 0.75 108.803 172.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 35.6 m -85.31 12.4 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.37 0 CA-C-O 122.259 1.028 . . . . 1.48 112.245 -174.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -114.96 -2.72 12.78 Favored 'General case' 0 C--N 1.286 -2.175 0 CA-C-N 114.112 -1.404 . . . . 2.03 108.396 176.491 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.444 ' O ' ' HE3' ' A' ' 30' ' ' LYS . 22.2 t70 -80.7 -42.73 21.47 Favored 'General case' 0 CA--C 1.508 -0.647 0 CA-C-N 115.05 -0.977 . . . . 1.07 108.569 -179.027 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.415 ' HB ' ' HB2' ' A' ' 12' ' ' ALA . 44.9 t -74.95 88.43 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.314 -0.976 0 CA-C-N 114.627 -1.17 . . . . 0.73 110.106 -179.131 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.407 ' HA ' ' HD3' ' A' ' 27' ' ' LYS . 32.8 mmtp -115.01 177.54 4.61 Favored 'General case' 0 C--N 1.31 -1.12 0 N-CA-C 108.845 -0.798 . . . . 2.83 108.845 173.178 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -49.89 -33.51 17.46 Favored 'General case' 0 N--CA 1.486 1.325 0 N-CA-C 115.935 1.828 . . . . 1.07 115.935 -170.405 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -88.41 10.47 19.91 Favored 'General case' 0 C--N 1.309 -1.153 0 N-CA-C 113.495 0.924 . . . . 2.47 113.495 -177.107 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.78 ' HD3' ' HB3' ' A' ' 35' ' ' ASP . 45.0 mmtt -93.67 135.02 35.37 Favored 'General case' 0 C--N 1.301 -1.539 0 CA-C-O 120.617 0.246 . . . . 1.06 111.421 178.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.697 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 29.5 t -111.04 151.32 28.16 Favored 'General case' 0 C--N 1.308 -1.198 0 N-CA-C 106.376 -1.712 . . . . 1.31 106.376 172.271 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.71 ' HA ' HD12 ' A' ' 36' ' ' LEU . 67.4 m-85 -68.09 -36.25 79.48 Favored 'General case' 0 C--O 1.201 -1.461 0 N-CA-C 114.993 1.479 . . . . 1.03 114.993 -166.276 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.518 ' HB ' ' HB3' ' A' ' 40' ' ' SER . 8.1 t -126.48 35.14 4.69 Favored 'General case' 0 C--N 1.273 -2.729 0 CA-C-O 123.449 1.595 . . . . 1.37 109.434 -175.569 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.474 ' HB2' ' HB3' ' A' ' 31' ' ' SER . 5.5 m-20 -136.8 -63.43 0.61 Allowed 'General case' 0 C--N 1.296 -1.725 0 CA-C-N 113.61 -1.632 . . . . 2.31 107.516 -179.533 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.78 ' HB3' ' HD3' ' A' ' 30' ' ' LYS . 8.1 m-20 -90.34 -20.36 22.97 Favored 'General case' 0 CA--C 1.488 -1.413 0 CA-C-N 115.356 -0.838 . . . . 1.67 110.886 -178.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.71 HD12 ' HA ' ' A' ' 32' ' ' PHE . 57.4 mt -91.37 152.07 20.58 Favored 'General case' 0 N--CA 1.418 -2.037 0 CA-C-O 121.566 0.698 . . . . 0.69 111.243 -179.053 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -98.93 37.99 1.45 Allowed 'General case' 0 C--N 1.291 -1.977 0 CA-C-N 114.38 -1.282 . . . . 2.15 109.935 -172.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 14.9 m -105.85 -169.48 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.402 -2.842 0 CA-C-O 121.482 0.658 . . . . 2.23 111.209 -175.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -116.09 119.2 35.08 Favored 'General case' 0 C--N 1.289 -2.05 0 N-CA-C 104.959 -2.237 . . . . 2.96 104.959 169.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.518 ' HB3' ' HB ' ' A' ' 33' ' ' THR . 26.3 p -57.64 -33.22 68.07 Favored 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 112.858 0.688 . . . . 1.19 112.858 -176.44 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.0 mp -61.14 -22.42 64.67 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-O 121.506 0.669 . . . . 1.34 110.482 179.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 35.0 m -84.39 -17.77 38.26 Favored 'General case' 0 N--CA 1.44 -0.936 0 C-N-CA 123.72 0.808 . . . . 1.26 111.337 179.243 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 36.1 ttp -69.14 -21.15 64.03 Favored 'General case' 0 C--O 1.219 -0.518 0 O-C-N 122.09 -0.382 . . . . 0.97 110.788 -175.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 59.6 t -54.35 -48.53 67.99 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.137 0 CA-C-N 116.117 -0.492 . . . . 0.65 109.854 178.059 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -63.35 -29.98 71.2 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.858 0.361 . . . . 2.06 111.317 175.504 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.601 ' HA ' HG21 ' A' ' 14' ' ' ILE . 98.7 t -70.17 -53.41 23.48 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.065 0 CA-C-N 115.938 -0.574 . . . . 1.43 110.244 -179.748 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.519 HG21 HG21 ' A' ' 63' ' ' VAL . 12.7 p -62.13 -38.13 80.15 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 N-CA-C 112.326 0.491 . . . . 0.53 112.326 -177.417 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 14.9 p -70.36 -29.66 39.96 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.799 0 C-N-CA 120.03 -0.668 . . . . 0.65 110.439 178.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.466 ' O ' ' HG2' ' A' ' 53' ' ' ARG . . . -76.23 -31.44 58.38 Favored 'General case' 0 C--O 1.213 -0.846 0 N-CA-C 109.32 -0.622 . . . . 0.32 109.32 176.13 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.19 -40.91 97.63 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-N 116.163 -0.471 . . . . 0.36 109.945 178.04 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.663 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 32.2 mt-10 -55.37 -54.13 47.51 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.27 -0.423 . . . . 0.78 111.426 177.764 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -68.35 -44.23 75.7 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.005 -0.543 . . . . 0.96 112.433 -178.102 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.466 ' HG2' ' O ' ' A' ' 49' ' ' ALA . 14.5 mmt85 -75.38 -36.39 60.91 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 111.981 0.363 . . . . 3.85 111.981 -174.312 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.456 ' HZ ' ' C ' ' A' ' 10' ' ' GLY . 79.4 m-85 -96.08 -2.08 47.37 Favored 'General case' 0 CA--C 1.512 -0.504 0 N-CA-C 113.615 0.969 . . . . 0.4 113.615 -176.392 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 68.5 33.89 3.84 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 123.458 0.474 . . . . 1.95 110.694 176.482 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.814 HG11 HG23 ' A' ' 76' ' ' ILE . 7.0 p -144.97 112.71 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.327 0 CA-C-O 121.439 0.638 . . . . 1.37 110.615 -178.452 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp -78.73 132.94 37.15 Favored 'General case' 0 C--N 1.289 -2.051 0 C-N-CA 119.532 -0.867 . . . . 3.34 111.08 176.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.457 HG23 ' CE1' ' A' ' 75' ' ' TYR . 51.6 mt -129.71 105.83 17.08 Favored Pre-proline 0 C--N 1.295 -1.768 0 CA-C-N 114.426 -1.261 . . . . 0.57 108.169 -172.74 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.505 ' O ' HG23 ' A' ' 63' ' ' VAL . 48.5 Cg_exo -58.52 123.49 13.7 Favored 'Trans proline' 0 C--O 1.24 0.588 0 C-N-CA 123.128 2.552 . . . . 0.63 111.911 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -54.72 -27.45 40.83 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 114.308 1.225 . . . . 2.3 114.308 -175.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -68.91 -38.25 79.45 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 120.552 0.215 . . . . 2.38 111.481 177.194 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -76.35 -34.53 58.96 Favored 'General case' 0 C--O 1.244 0.78 0 CA-C-O 121.205 0.526 . . . . 1.52 109.875 -177.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.519 HG21 HG21 ' A' ' 47' ' ' VAL . 85.2 t -49.72 -51.55 15.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 CA-C-N 114.003 -1.453 . . . . 0.79 110.992 179.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -65.44 -11.5 43.49 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 123.344 0.657 . . . . 1.24 112.251 -172.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -94.5 -8.51 38.18 Favored 'General case' 0 C--N 1.298 -1.673 0 CA-C-O 121.16 0.505 . . . . 2.07 111.319 -178.627 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.523 HD13 ' HA ' ' A' ' 72' ' ' ALA . 96.0 mt -91.63 -176.95 4.65 Favored 'General case' 0 C--N 1.314 -0.953 0 N-CA-C 108.077 -1.083 . . . . 0.6 108.077 176.2 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 40.8 pttt -148.75 -71.84 0.2 Allowed 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 113.718 1.007 . . . . 2.69 113.718 -179.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.697 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 66.5 p -80.47 170.73 15.97 Favored 'General case' 0 C--N 1.314 -0.973 0 C-N-CA 119.436 -0.905 . . . . 0.46 110.747 -176.117 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 33.9 m -73.42 -13.65 16.22 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.028 0 N-CA-C 109.671 -0.492 . . . . 0.66 109.671 175.381 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -78.39 -37.9 26.53 Favored Glycine 0 N--CA 1.435 -1.418 0 N-CA-C 109.584 -1.407 . . . . 0.46 109.584 175.29 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -71.56 -32.33 67.99 Favored 'General case' 0 CA--C 1.505 -0.754 0 N-CA-C 108.823 -0.806 . . . . 1.62 108.823 177.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.523 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -69.5 -55.02 11.4 Favored 'General case' 0 N--CA 1.431 -1.415 0 CA-C-N 114.607 -1.178 . . . . 0.51 109.762 -179.006 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.655 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 13.8 p -56.57 -39.58 73.72 Favored 'General case' 0 N--CA 1.444 -0.748 0 O-C-N 123.726 0.641 . . . . 0.46 112.02 -178.551 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.8 tppt? -54.4 -44.58 72.45 Favored 'General case' 0 CA--C 1.535 0.377 0 O-C-N 123.909 0.756 . . . . 3.54 110.996 178.078 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.457 ' CE1' HG23 ' A' ' 58' ' ' ILE . 55.9 t80 -73.46 -47.98 37.2 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.087 0.47 . . . . 0.83 110.074 178.102 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.814 HG23 HG11 ' A' ' 56' ' ' VAL . 93.7 mt -52.69 -65.76 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.076 -0.966 . . . . 0.65 111.836 -177.365 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.655 ' HG ' ' O ' ' A' ' 73' ' ' THR . 2.9 pp -64.4 -22.46 66.97 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.733 0.642 . . . . 1.74 112.733 -174.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 36.7 t70 . . . . . 0 C--N 1.317 -0.836 0 CA-C-O 121.991 0.901 . . . . 1.32 110.201 179.548 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . 0.475 ' HB1' ' HB2' ' A' ' 6' ' ' GLU . . . . . . . . 0 N--CA 1.444 -0.73 0 N-CA-C 108.286 -1.005 . . . . 1.12 108.286 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.556 ' O ' HG12 ' A' ' 7' ' ' ILE . 4.0 m -105.13 171.28 7.4 Favored 'General case' 0 N--CA 1.427 -1.588 0 C-N-CA 120.353 -0.539 . . . . 1.57 110.537 -176.189 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.515 ' H ' HG22 ' A' ' 3' ' ' THR . 15.3 pt20 -40.1 -46.01 2.08 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 115.78 1.77 . . . . 1.76 115.78 -173.236 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -65.64 -53.17 45.18 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 109.5 -0.556 . . . . 3.05 109.5 -178.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.475 ' HB2' ' HB1' ' A' ' 2' ' ' ALA . 1.6 mp0 -62.09 -34.05 75.57 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.191 -0.913 . . . . 2.53 110.159 178.568 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.556 HG12 ' O ' ' A' ' 3' ' ' THR . 35.1 mm -61.17 -56.21 19.42 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.724 0 CA-C-N 116.211 -0.45 . . . . 0.45 109.855 177.698 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.541 ' HA ' HD12 ' A' ' 11' ' ' LEU . 85.4 t -59.11 -38.53 74.71 Favored 'Isoleucine or valine' 0 C--O 1.242 0.701 0 CA-C-O 120.811 0.339 . . . . 0.57 111.15 -179.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.07 -37.74 88.55 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.216 0.532 . . . . 0.48 110.108 176.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.452 ' O ' ' HG2' ' A' ' 13' ' ' GLU . . . -71.73 -26.68 72.35 Favored Glycine 0 C--O 1.207 -1.55 0 N-CA-C 111.268 -0.733 . . . . 0.37 111.268 178.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.541 HD12 ' HA ' ' A' ' 8' ' ' VAL . 96.4 mt -66.18 -44.7 83.25 Favored 'General case' 0 C--N 1.309 -1.178 0 N-CA-C 109.102 -0.703 . . . . 0.33 109.102 175.766 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.22 -27.65 69.5 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 113.623 0.972 . . . . 0.28 113.623 -176.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.715 ' HG3' HD12 ' A' ' 14' ' ' ILE . 10.8 pt-20 -67.92 -31.79 71.8 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 119.774 -0.77 . . . . 2.48 111.081 179.276 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.715 HD12 ' HG3' ' A' ' 13' ' ' GLU . 3.7 mp -86.38 -41.85 15.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 108.694 -0.854 . . . . 0.44 108.694 174.722 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.521 HG12 HG13 ' A' ' 21' ' ' ILE . 84.0 t -61.66 -31.74 51.66 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.244 0 N-CA-C 112.958 0.725 . . . . 0.34 112.958 -178.257 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -71.98 -30.98 65.83 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 121.28 -0.888 . . . . 0.95 110.113 175.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -70.23 -41.96 72.88 Favored 'General case' 0 C--N 1.31 -1.136 0 N-CA-C 109.154 -0.684 . . . . 2.11 109.154 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.425 HG13 HG22 ' A' ' 46' ' ' VAL . 47.2 mm -80.73 -53.47 12.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.4 -0.818 . . . . 0.71 112.228 -176.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -103.69 -49.06 3.76 Favored 'General case' 0 C--N 1.306 -1.296 0 CA-C-O 121.149 0.499 . . . . 0.68 111.132 -175.281 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 101.11 43.75 2.16 Favored Glycine 0 C--N 1.304 -1.202 0 C-N-CA 119.823 -1.179 . . . . 0.93 112.848 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.521 HG13 HG12 ' A' ' 15' ' ' VAL . 1.6 pp -82.31 162.2 57.18 Favored Pre-proline 0 C--N 1.301 -1.519 0 O-C-N 122.998 -0.119 . . . . 0.6 110.751 175.554 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.487 ' HB2' ' HB2' ' A' ' 25' ' ' ASP . 15.1 Cg_exo -71.09 127.43 13.53 Favored 'Trans proline' 0 N--CA 1.442 -1.536 0 N-CA-C 108.135 -1.525 . . . . 0.75 108.135 173.226 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.1 m -76.65 -5.81 8.01 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.385 0 N-CA-C 112.741 0.645 . . . . 1.48 112.741 -175.121 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -88.1 -21.73 24.53 Favored 'General case' 0 C--N 1.314 -0.947 0 N-CA-C 107.552 -1.277 . . . . 2.03 107.552 174.407 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.487 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 20.2 t70 -82.09 -30.54 31.19 Favored 'General case' 0 C--N 1.307 -1.282 0 CA-C-N 115.01 -0.996 . . . . 1.07 110.831 -172.061 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.551 ' HA ' ' HG3' ' A' ' 30' ' ' LYS . 22.0 t -75.75 83.09 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.313 -0.991 0 CA-C-N 115.282 -0.872 . . . . 0.73 109.95 -178.77 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -100.6 177.79 4.9 Favored 'General case' 0 C--N 1.297 -1.677 0 CA-C-N 114.542 -1.208 . . . . 2.83 108.651 177.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.475 HD11 ' HB2' ' A' ' 4' ' ' GLN . 4.2 mm? -59.6 -21.31 60.21 Favored 'General case' 0 N--CA 1.492 1.638 0 N-CA-C 112.865 0.691 . . . . 1.07 112.865 178.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -90.61 32.61 0.96 Allowed 'General case' 0 C--N 1.305 -1.361 0 CA-C-O 120.952 0.406 . . . . 2.47 111.457 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.551 ' HG3' ' HA ' ' A' ' 26' ' ' VAL . 71.6 mmtt -115.47 171.74 7.53 Favored 'General case' 0 C--N 1.303 -1.456 0 CA-C-O 121.717 0.77 . . . . 1.06 112.994 179.68 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.457 ' HB2' HG22 ' A' ' 68' ' ' THR . 19.9 t -149.93 153.52 36.76 Favored 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 105.186 -2.153 . . . . 1.31 105.186 178.273 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -67.37 -51.98 45.53 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 113.442 0.904 . . . . 1.03 113.442 -169.26 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.552 ' HB ' ' O ' ' A' ' 38' ' ' VAL . 11.5 t -123.18 19.49 9.88 Favored 'General case' 0 C--N 1.285 -2.223 0 C-N-CA 118.514 -1.274 . . . . 1.37 110.778 -179.413 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -116.24 -39.78 3.36 Favored 'General case' 0 C--N 1.3 -1.573 0 C-N-CA 119.314 -0.954 . . . . 2.31 110.722 179.019 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -107.61 -29.15 9.32 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 108.81 -0.811 . . . . 1.67 108.81 177.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 93.7 mt -100.04 -171.23 2.0 Favored 'General case' 0 C--O 1.24 0.573 0 N-CA-C 109.236 -0.653 . . . . 0.69 109.236 177.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -128.95 78.41 1.85 Allowed 'General case' 0 C--N 1.308 -1.212 0 N-CA-C 107.439 -1.319 . . . . 2.15 107.439 -178.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.552 ' O ' ' HB ' ' A' ' 33' ' ' THR . 25.3 t -137.94 113.82 10.61 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.435 0 CA-C-N 114.011 -1.449 . . . . 2.23 107.881 -177.43 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -56.16 122.95 12.9 Favored 'General case' 0 CA--C 1.507 -0.69 0 N-CA-C 109.505 -0.554 . . . . 2.96 109.505 175.212 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.451 ' HA ' ' HB2' ' A' ' 43' ' ' MET . 75.3 p -66.6 -32.42 73.74 Favored 'General case' 0 C--N 1.304 -1.404 0 CA-C-O 121.157 0.503 . . . . 1.19 112.238 -175.007 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -61.25 -33.14 73.04 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-O 121.845 0.831 . . . . 1.34 108.986 176.347 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 32.8 m -84.8 -17.41 38.26 Favored 'General case' 0 N--CA 1.44 -0.93 0 C-N-CA 124.537 1.135 . . . . 1.26 111.612 177.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.451 ' HB2' ' HA ' ' A' ' 40' ' ' SER . 8.4 tmm? -69.32 -22.23 63.79 Favored 'General case' 0 C--O 1.217 -0.64 0 N-CA-C 107.952 -1.129 . . . . 0.97 107.952 179.714 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.493 ' HA ' HG12 ' A' ' 47' ' ' VAL . 40.4 t -63.75 -23.79 34.2 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.448 0 CA-C-N 115.329 -0.85 . . . . 0.65 110.056 176.557 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -82.68 -21.98 34.72 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-O 121.717 0.77 . . . . 2.06 109.153 175.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.448 ' HA ' HG21 ' A' ' 14' ' ' ILE . 86.0 t -76.76 -57.35 6.09 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 N-CA-C 108.579 -0.897 . . . . 1.43 108.579 177.675 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.531 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 9.8 p -51.78 -41.21 29.06 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.632 0 N-CA-C 113.079 0.77 . . . . 0.53 113.079 -177.635 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 11.1 p -63.86 -32.43 57.04 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.789 0 C-N-CA 120.57 -0.452 . . . . 0.65 111.129 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.54 ' O ' ' HB2' ' A' ' 53' ' ' ARG . . . -86.01 -16.74 37.29 Favored 'General case' 0 C--O 1.213 -0.816 0 CA-C-N 115.878 -0.601 . . . . 0.32 109.999 179.121 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -81.54 -37.8 27.2 Favored 'General case' 0 C--N 1.306 -1.304 0 CA-C-N 116.025 -0.534 . . . . 0.36 110.008 177.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.531 ' HG3' ' O ' ' A' ' 47' ' ' VAL . 44.1 mt-10 -55.99 -43.29 77.51 Favored 'General case' 0 C--O 1.241 0.651 0 CA-C-O 121.341 0.591 . . . . 0.78 111.215 178.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.77 -32.01 59.74 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.389 -0.823 . . . . 0.96 111.238 179.002 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.54 ' HB2' ' O ' ' A' ' 49' ' ' ALA . 2.5 tpp180 -70.94 -47.33 59.62 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.259 -0.882 . . . . 3.85 110.769 -174.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.552 ' HB2' HG12 ' A' ' 56' ' ' VAL . 65.6 m-85 -97.6 -10.58 24.87 Favored 'General case' 0 C--N 1.311 -1.093 0 N-CA-C 113.184 0.809 . . . . 0.4 113.184 -174.441 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 70.41 50.13 0.41 Allowed 'General case' 0 N--CA 1.494 1.742 0 CA-C-O 121.613 0.72 . . . . 1.95 110.53 -176.662 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.933 HG11 HG23 ' A' ' 76' ' ' ILE . 3.1 p -147.77 106.79 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.297 -1.712 0 CA-C-N 114.993 -1.003 . . . . 1.37 109.7 -179.466 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 59.6 pttt -72.92 131.41 42.18 Favored 'General case' 0 C--N 1.291 -1.935 0 CA-C-N 115.522 -0.763 . . . . 3.34 109.383 177.336 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 59.4 mt -125.01 97.87 37.29 Favored Pre-proline 0 C--N 1.288 -2.105 0 CA-C-N 114.819 -1.082 . . . . 0.57 108.374 -175.25 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.417 ' HD2' ' HB2' ' A' ' 62' ' ' ASP . 33.0 Cg_exo -62.74 156.29 54.15 Favored 'Trans proline' 0 C--O 1.248 0.986 0 C-N-CA 122.397 2.065 . . . . 0.63 110.442 177.445 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.569 ' HA ' HG12 ' A' ' 63' ' ' VAL . 24.4 t70 -57.57 -38.73 75.29 Favored 'General case' 0 C--N 1.305 -1.364 0 CA-C-O 121.358 0.599 . . . . 2.3 111.292 -178.222 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -61.96 -36.7 82.2 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 115.484 -0.78 . . . . 2.38 111.491 177.121 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.417 ' HB2' ' HD2' ' A' ' 59' ' ' PRO . 1.7 m-20 -80.36 -32.92 37.65 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.894 -0.594 . . . . 1.52 112.462 -179.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.569 HG12 ' HA ' ' A' ' 60' ' ' ASP . 7.9 p -69.47 -45.24 78.94 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.499 0 CA-C-O 121.101 0.477 . . . . 0.79 110.355 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -64.77 -13.39 55.1 Favored 'General case' 0 C--N 1.31 -1.152 0 CA-C-N 115.284 -0.871 . . . . 1.24 112.554 177.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -83.05 -19.54 36.68 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-O 121.133 0.492 . . . . 2.07 110.426 -178.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.587 HD13 ' HA ' ' A' ' 72' ' ' ALA . 77.0 mt -95.86 174.5 6.92 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 116.169 -0.469 . . . . 0.6 110.338 -174.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -143.71 -58.25 0.4 Allowed 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 113.9 1.074 . . . . 2.69 113.9 -178.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.457 HG22 ' HB2' ' A' ' 31' ' ' SER . 64.0 p -99.21 -175.61 3.07 Favored 'General case' 0 N--CA 1.437 -1.121 0 O-C-N 121.674 -0.641 . . . . 0.46 109.556 -177.234 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.457 HG22 ' O ' ' A' ' 30' ' ' LYS . 33.4 m -84.62 -24.73 7.22 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.118 0 C-N-CA 119.727 -0.789 . . . . 0.66 109.752 177.186 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -82.51 -21.99 59.2 Favored Glycine 0 C--N 1.34 0.796 0 N-CA-C 110.691 -0.964 . . . . 0.46 110.691 178.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -78.83 -34.81 44.89 Favored 'General case' 0 C--N 1.305 -1.367 0 CA-C-N 114.873 -0.664 . . . . 1.62 109.29 175.564 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.587 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -77.05 -42.44 38.42 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 114.934 -1.03 . . . . 0.51 112.966 -177.374 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.546 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 1.6 p -49.47 -42.71 43.93 Favored 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 113.429 0.9 . . . . 0.46 113.429 -176.426 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -60.74 -44.13 97.05 Favored 'General case' 0 C--O 1.217 -0.612 0 O-C-N 123.645 0.59 . . . . 3.54 111.471 -178.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -65.28 -43.91 89.7 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.01 0.433 . . . . 0.83 110.003 177.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.933 HG23 HG11 ' A' ' 56' ' ' VAL . 93.5 mt -58.02 -65.78 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 114.769 -1.105 . . . . 0.65 111.036 -178.338 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 73' ' ' THR . 3.4 pp -61.83 -22.61 65.64 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 113.184 0.809 . . . . 1.74 113.184 -175.569 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 9.3 t70 . . . . . 0 C--N 1.307 -1.251 0 CA-C-N 115.932 -0.576 . . . . 1.32 111.026 179.082 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . 0.433 ' HB3' HD13 ' A' ' 7' ' ' ILE . . . . . . . . 0 N--CA 1.432 -1.333 0 N-CA-C 108.342 -0.984 . . . . 1.12 108.342 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.422 ' O ' HG12 ' A' ' 7' ' ' ILE . 4.0 m -92.55 166.66 12.4 Favored 'General case' 0 C--N 1.281 -2.374 0 C-N-CA 118.387 -1.325 . . . . 1.57 109.703 -177.209 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -43.92 -51.64 7.45 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 114.997 1.48 . . . . 1.76 114.997 -170.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -63.53 -29.32 70.6 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-O 121.666 0.746 . . . . 3.05 111.34 -178.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -85.79 -30.56 22.92 Favored 'General case' 0 N--CA 1.432 -1.353 0 CA-C-N 115.148 -0.933 . . . . 2.53 109.157 -178.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.5 HG21 HG22 ' A' ' 73' ' ' THR . 37.1 mm -63.14 -60.63 2.46 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.702 0 N-CA-C 108.343 -0.984 . . . . 0.45 108.343 175.151 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 97.9 t -52.13 -50.37 36.04 Favored 'Isoleucine or valine' 0 C--O 1.244 0.806 0 C-N-CA 123.775 0.83 . . . . 0.57 111.458 -178.106 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.57 -42.32 82.82 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.202 -0.454 . . . . 0.48 111.16 179.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -71.16 -41.21 60.49 Favored Glycine 0 N--CA 1.436 -1.36 0 CA-C-N 115.849 -0.614 . . . . 0.37 111.574 -178.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' A' ' 7' ' ' ILE . 91.5 mt -54.46 -47.98 72.28 Favored 'General case' 0 CA--C 1.507 -0.707 0 C-N-CA 123.142 0.577 . . . . 0.33 110.442 178.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.72 -23.52 67.4 Favored 'General case' 0 N--CA 1.44 -0.973 0 CA-C-N 115.38 -0.827 . . . . 0.28 112.601 -178.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -63.89 -49.23 73.51 Favored 'General case' 0 C--O 1.245 0.841 0 CA-C-O 120.776 0.322 . . . . 2.48 110.564 177.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.74 HG21 ' HA ' ' A' ' 46' ' ' VAL . 3.9 mp -72.69 -42.43 62.28 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.05 0 N-CA-C 108.542 -0.91 . . . . 0.44 108.542 179.507 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.433 HG12 ' CG1' ' A' ' 21' ' ' ILE . 88.8 t -59.1 -40.45 80.91 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.827 0 N-CA-C 112.457 0.54 . . . . 0.34 112.457 -178.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.474 ' HA ' ' H ' ' A' ' 21' ' ' ILE . 50.1 t-20 -65.84 -41.37 91.81 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.456 -0.572 . . . . 0.95 109.456 178.301 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -67.25 -46.41 73.82 Favored 'General case' 0 C--N 1.309 -1.191 0 CA-C-O 121.47 0.653 . . . . 2.11 110.447 -179.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 28.4 mm -70.92 -53.76 20.44 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.079 0 CA-C-N 115.598 -0.728 . . . . 0.71 112.519 -176.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -115.98 -35.17 4.51 Favored 'General case' 0 C--N 1.309 -1.173 0 N-CA-C 112.633 0.605 . . . . 0.68 112.633 -173.399 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.72 95.59 2.12 Favored Glycine 0 N--CA 1.436 -1.31 0 C-N-CA 119.77 -1.205 . . . . 0.93 112.243 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.474 ' H ' ' HA ' ' A' ' 16' ' ' ASN . 2.5 pp -132.27 160.95 65.85 Favored Pre-proline 0 C--N 1.297 -1.713 0 N-CA-C 109.255 -0.646 . . . . 0.6 109.255 176.503 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.45 ' HB2' ' HB2' ' A' ' 25' ' ' ASP . 15.9 Cg_exo -73.86 142.81 32.27 Favored 'Trans proline' 0 CA--C 1.548 1.193 0 C-N-CA 122.095 1.864 . . . . 0.75 110.604 172.51 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 32.1 m -80.04 7.92 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 N-CA-C 113.041 0.756 . . . . 1.48 113.041 -174.219 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -130.44 9.22 5.1 Favored 'General case' 0 C--N 1.294 -1.805 0 N-CA-C 108.559 -0.904 . . . . 2.03 108.559 177.255 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.604 ' O ' ' HE3' ' A' ' 30' ' ' LYS . 25.8 t70 -92.24 -33.7 14.56 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-O 121.413 0.625 . . . . 1.07 110.709 -176.286 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.521 ' HA ' ' HG3' ' A' ' 30' ' ' LYS . 45.2 t -77.0 88.95 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.296 -1.728 0 CA-C-N 115.217 -0.901 . . . . 0.73 111.956 -174.691 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -94.39 -174.0 3.22 Favored 'General case' 0 C--N 1.306 -1.304 0 N-CA-C 106.732 -1.581 . . . . 2.83 106.732 167.18 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.528 HD12 ' HA2' ' A' ' 70' ' ' GLY . 3.1 mm? -68.72 -31.81 71.15 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 118.506 0.594 . . . . 1.07 111.882 -174.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -81.65 36.91 0.45 Allowed 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.806 0.842 . . . . 2.47 111.49 -176.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.604 ' HE3' ' O ' ' A' ' 25' ' ' ASP . 60.3 mmtt -122.54 121.11 35.75 Favored 'General case' 0 C--N 1.314 -0.936 0 C-N-CA 123.609 0.763 . . . . 1.06 109.993 -179.8 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.656 ' HB2' HG22 ' A' ' 68' ' ' THR . 32.4 t -104.53 141.55 36.19 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 108.552 -0.907 . . . . 1.31 108.552 177.503 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.614 ' HA ' HD12 ' A' ' 36' ' ' LEU . 98.4 m-85 -56.34 -44.65 80.26 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 114.509 1.299 . . . . 1.03 114.509 -168.511 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.5 t -122.28 41.13 3.49 Favored 'General case' 0 C--N 1.285 -2.199 0 CA-C-O 122.575 1.179 . . . . 1.37 110.792 -179.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.412 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 13.6 t70 -137.03 -61.38 0.66 Allowed 'General case' 0 C--N 1.294 -1.832 0 N-CA-C 107.887 -1.153 . . . . 2.31 107.887 174.603 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -87.48 -35.84 18.0 Favored 'General case' 0 CA--C 1.491 -1.303 0 CA-C-N 114.524 -1.216 . . . . 1.67 109.109 179.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.614 HD12 ' HA ' ' A' ' 32' ' ' PHE . 84.3 mt -92.83 156.74 16.79 Favored 'General case' 0 N--CA 1.43 -1.433 0 CA-C-N 115.458 -0.792 . . . . 0.69 110.316 -175.448 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -93.9 40.71 1.08 Allowed 'General case' 0 C--N 1.309 -1.161 0 CA-C-O 122.638 1.209 . . . . 2.15 108.954 -177.388 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.484 HG23 ' HB3' ' A' ' 36' ' ' LEU . 39.5 t -99.15 115.37 39.63 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.437 0 CA-C-N 115.269 -0.878 . . . . 2.23 110.846 -175.104 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -58.46 118.62 5.79 Favored 'General case' 0 CA--C 1.509 -0.625 0 N-CA-C 105.959 -1.867 . . . . 2.96 105.959 168.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . 0.417 2.8 p -67.32 -30.0 69.72 Favored 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 117.767 2.506 . . . . 1.19 117.767 -170.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.9 mp -64.75 -24.09 67.45 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 118.791 -1.164 . . . . 1.34 110.442 172.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.3 m -84.17 -14.35 50.4 Favored 'General case' 0 N--CA 1.43 -1.435 0 CA-C-N 115.618 -0.719 . . . . 1.26 110.8 179.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 5.1 tmm? -72.39 -23.11 61.06 Favored 'General case' 0 C--O 1.215 -0.74 0 N-CA-C 107.815 -1.18 . . . . 0.97 107.815 179.256 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.517 ' HA ' HG12 ' A' ' 47' ' ' VAL . 47.9 t -62.64 -28.12 44.22 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.256 0 CA-C-N 115.821 -0.627 . . . . 0.65 110.201 177.737 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -74.73 -25.17 58.93 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.7 -0.852 . . . . 2.06 108.7 178.248 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.74 ' HA ' HG21 ' A' ' 14' ' ' ILE . 59.7 t -76.71 -60.63 2.16 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 CA-C-N 114.929 -1.032 . . . . 1.43 108.939 179.503 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.517 HG12 ' HA ' ' A' ' 44' ' ' VAL . 11.8 p -52.91 -42.05 42.24 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.105 0 N-CA-C 113.113 0.783 . . . . 0.53 113.113 -177.166 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 9.0 p -68.47 -26.67 34.08 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.13 0 CA-C-O 121.327 0.584 . . . . 0.65 111.179 -178.42 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -86.3 -26.84 24.71 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.767 0.794 . . . . 0.32 109.685 178.237 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.52 -36.87 76.84 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-N 115.506 -0.77 . . . . 0.36 111.039 -179.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -50.78 -56.68 10.96 Favored 'General case' 0 CA--C 1.533 0.315 0 O-C-N 123.713 0.633 . . . . 0.78 111.622 179.447 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -66.98 -39.91 87.3 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 115.621 -0.718 . . . . 0.96 112.832 -178.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -70.89 -38.97 73.06 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.704 0.631 . . . . 3.85 112.704 -174.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -94.01 -11.4 30.87 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.03 0.381 . . . . 0.4 112.03 -177.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 38.6 t70 69.79 68.81 0.24 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 122.448 1.118 . . . . 1.95 110.329 -177.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.513 HG11 HG23 ' A' ' 76' ' ' ILE . 13.7 p -155.01 163.65 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.402 0 CA-C-N 114.04 -1.437 . . . . 1.37 107.208 -179.77 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.413 ' HE3' ' HB3' ' A' ' 57' ' ' LYS . 22.5 mtpp -129.76 131.59 46.3 Favored 'General case' 0 C--N 1.291 -1.96 0 N-CA-C 109.638 -0.504 . . . . 3.34 109.638 172.393 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 61.4 mt -125.03 105.73 28.94 Favored Pre-proline 0 C--N 1.297 -1.711 0 CA-C-N 115.281 -0.872 . . . . 0.57 108.767 -176.172 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.445 ' O ' HG23 ' A' ' 63' ' ' VAL . 15.2 Cg_exo -71.16 156.89 58.72 Favored 'Trans proline' 0 N--CA 1.461 -0.431 0 C-N-CA 123.362 2.708 . . . . 0.63 112.238 179.307 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -45.26 -43.08 10.18 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 125.716 1.606 . . . . 2.3 112.325 -178.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -67.75 -27.84 67.12 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 115.644 -0.707 . . . . 2.38 111.834 -177.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.426 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 37.0 m-20 -86.59 -37.58 17.97 Favored 'General case' 0 C--N 1.308 -1.209 0 O-C-N 122.12 -0.363 . . . . 1.52 110.757 178.689 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 59' ' ' PRO . 87.5 t -53.39 -52.65 30.03 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.08 0 O-C-N 123.728 0.642 . . . . 0.79 109.481 177.588 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -72.42 -9.64 58.78 Favored 'General case' 0 C--N 1.31 -1.139 0 N-CA-C 113.109 0.781 . . . . 1.24 113.109 -177.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -91.91 -31.04 15.82 Favored 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 111.91 0.337 . . . . 2.07 111.91 -176.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.474 HD13 ' HA ' ' A' ' 72' ' ' ALA . 60.4 mt -73.04 175.4 6.71 Favored 'General case' 0 C--N 1.319 -0.755 0 C-N-CA 121.33 -0.148 . . . . 0.6 110.797 -175.408 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -141.18 -68.89 0.39 Allowed 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 113.408 0.892 . . . . 2.69 113.408 -178.228 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.656 HG22 ' HB2' ' A' ' 31' ' ' SER . 36.0 p -93.34 178.62 5.66 Favored 'General case' 0 N--CA 1.435 -1.183 0 N-CA-C 109.465 -0.568 . . . . 0.46 109.465 178.245 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.483 ' O ' HG23 ' A' ' 73' ' ' THR . 34.3 m -75.35 -26.15 18.41 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.299 0 N-CA-C 108.759 -0.83 . . . . 0.66 108.759 173.574 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.528 ' HA2' HD12 ' A' ' 28' ' ' LEU . . . -69.77 -46.2 54.68 Favored Glycine 0 N--CA 1.44 -1.051 0 N-CA-C 110.264 -1.135 . . . . 0.46 110.264 176.419 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -62.31 -28.84 70.01 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-O 121.717 0.77 . . . . 1.62 109.734 178.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.474 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -78.9 -45.8 19.81 Favored 'General case' 0 N--CA 1.43 -1.439 0 CA-C-N 115.034 -0.985 . . . . 0.51 110.811 -179.558 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.5 HG22 HG21 ' A' ' 7' ' ' ILE . 38.8 p -51.41 -38.34 53.0 Favored 'General case' 0 C--N 1.351 0.649 0 N-CA-C 113.608 0.966 . . . . 0.46 113.608 -176.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.7 tmtt? -63.01 -53.2 57.64 Favored 'General case' 0 C--O 1.211 -0.93 0 N-CA-C 108.603 -0.888 . . . . 3.54 108.603 179.336 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -59.35 -45.13 92.26 Favored 'General case' 0 N--CA 1.466 0.335 0 O-C-N 123.201 0.313 . . . . 0.83 111.157 -178.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.513 HG23 HG11 ' A' ' 56' ' ' VAL . 79.5 mt -57.6 -64.34 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 109.434 -0.58 . . . . 0.65 109.434 179.717 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 49.9 tp -55.1 -29.09 56.9 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.751 0.821 . . . . 1.74 111.752 -178.069 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 15.0 t70 . . . . . 0 C--N 1.309 -1.168 0 CA-C-N 115.453 -0.794 . . . . 1.32 110.861 -179.627 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.516 -0.365 0 N-CA-C 108.821 -0.807 . . . . 1.12 108.821 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.698 ' O ' HG12 ' A' ' 7' ' ' ILE . 1.2 m -109.65 -162.45 0.81 Allowed 'General case' 0 C--N 1.313 -1.005 0 CA-C-O 118.666 -0.683 . . . . 1.57 110.082 179.741 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.472 ' H ' HG22 ' A' ' 3' ' ' THR . 8.7 tt0 -53.85 -56.73 14.96 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 115.01 1.485 . . . . 1.76 115.01 -165.65 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -67.22 -35.98 80.71 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 120.893 0.378 . . . . 3.05 110.777 -176.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -68.55 -32.18 71.93 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 115.576 -0.738 . . . . 2.53 111.196 177.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.698 HG12 ' O ' ' A' ' 3' ' ' THR . 43.0 mm -67.88 -51.68 47.47 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.544 0 N-CA-C 107.884 -1.154 . . . . 0.45 107.884 177.743 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.531 HG11 ' HD3' ' A' ' 27' ' ' LYS . 56.5 t -49.06 -47.48 17.31 Favored 'Isoleucine or valine' 0 C--O 1.242 0.688 0 C-N-CA 123.994 0.918 . . . . 0.57 111.092 177.58 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.416 ' O ' ' HG3' ' A' ' 13' ' ' GLU . . . -61.84 -44.41 96.9 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.834 -0.621 . . . . 0.48 111.174 179.476 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -69.08 -37.29 82.29 Favored Glycine 0 N--CA 1.445 -0.743 0 CA-C-N 115.9 -0.591 . . . . 0.37 111.93 -177.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 7' ' ' ILE . 91.3 mt -57.28 -46.61 82.94 Favored 'General case' 0 CA--C 1.506 -0.725 0 CA-C-O 121.047 0.451 . . . . 0.33 110.032 178.286 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.641 ' HB2' ' HB ' ' A' ' 26' ' ' VAL . . . -70.63 -24.85 62.8 Favored 'General case' 0 N--CA 1.429 -1.488 0 CA-C-N 115.619 -0.719 . . . . 0.28 111.816 -179.086 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.416 ' HG3' ' O ' ' A' ' 9' ' ' ALA . 47.3 mt-10 -61.47 -47.28 86.38 Favored 'General case' 0 CA--C 1.509 -0.63 0 C-N-CA 121.04 -0.264 . . . . 2.48 110.444 176.042 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.512 HG21 ' HA ' ' A' ' 46' ' ' VAL . 3.1 mp -73.26 -44.01 56.08 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.882 0 C-N-CA 119.734 -0.786 . . . . 0.44 109.584 177.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.493 HG12 HG13 ' A' ' 21' ' ' ILE . 48.3 t -63.58 -23.72 34.05 Favored 'Isoleucine or valine' 0 CA--C 1.571 1.763 0 C-N-CA 120.107 -0.637 . . . . 0.34 112.268 -179.323 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -70.14 -39.46 75.39 Favored 'General case' 0 N--CA 1.477 0.899 0 O-C-N 121.466 -0.771 . . . . 0.95 110.977 176.502 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -79.19 -28.73 42.65 Favored 'General case' 0 C--N 1.318 -0.769 0 C-N-CA 119.735 -0.786 . . . . 2.11 111.176 179.407 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 46.2 mm -81.95 -53.78 11.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 116.497 -0.32 . . . . 0.71 111.687 179.592 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -107.38 -18.23 13.92 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 113.378 0.881 . . . . 0.68 113.378 -173.132 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.54 24.95 40.8 Favored Glycine 0 C--N 1.318 -0.468 0 C-N-CA 120.669 -0.777 . . . . 0.93 113.568 177.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.493 HG13 HG12 ' A' ' 15' ' ' VAL . 2.5 pp -80.3 155.1 74.54 Favored Pre-proline 0 C--N 1.311 -1.068 0 N-CA-C 112.017 0.377 . . . . 0.6 112.017 -179.809 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_exo -65.37 148.3 88.09 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 122.075 1.85 . . . . 0.75 109.274 172.123 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.432 HG23 ' HB3' ' A' ' 12' ' ' ALA . 13.1 p -71.22 -16.8 19.55 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.018 0 CA-C-O 121.701 0.762 . . . . 1.48 111.228 -176.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -87.78 -6.58 58.09 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.851 -0.613 . . . . 2.03 110.463 176.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.497 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 35.6 t70 -79.36 -43.39 23.57 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-O 120.742 0.306 . . . . 1.07 111.335 -174.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.641 ' HB ' ' HB2' ' A' ' 12' ' ' ALA . 70.3 t -82.1 92.67 2.41 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.061 0 N-CA-C 109.172 -0.677 . . . . 0.73 109.172 179.124 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.531 ' HD3' HG11 ' A' ' 8' ' ' VAL . 53.1 mmtt -125.6 176.95 6.51 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 115.432 -0.804 . . . . 2.83 109.928 179.048 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.585 HD12 ' HA2' ' A' ' 70' ' ' GLY . 3.1 mm? -54.89 -35.51 64.18 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.931 0.892 . . . . 1.07 112.777 -172.46 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -77.59 -3.77 42.48 Favored 'General case' 0 C--N 1.316 -0.883 0 C-N-CA 123.588 0.755 . . . . 2.47 112.601 -175.533 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.497 ' HG3' ' O ' ' A' ' 25' ' ' ASP . 35.8 mmtp -103.03 142.24 34.45 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 122.207 -0.308 . . . . 1.06 111.299 -176.562 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.682 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 26.8 t -108.73 149.73 28.6 Favored 'General case' 0 C--O 1.255 1.359 0 N-CA-C 107.579 -1.267 . . . . 1.31 107.579 168.737 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.635 ' HA ' HD12 ' A' ' 36' ' ' LEU . 65.8 m-85 -61.71 -49.82 74.93 Favored 'General case' 0 C--O 1.215 -0.713 0 N-CA-C 115.089 1.515 . . . . 1.03 115.089 -167.71 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.596 HG21 ' HB3' ' A' ' 40' ' ' SER . 13.5 t -119.06 46.07 1.96 Allowed 'General case' 0 C--N 1.295 -1.796 0 C-N-CA 117.912 -1.515 . . . . 1.37 110.308 177.154 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.595 ' HB2' ' HB3' ' A' ' 31' ' ' SER . 22.4 m-20 -136.05 -47.84 0.66 Allowed 'General case' 0 CA--C 1.496 -1.119 0 CA-C-N 114.035 -1.439 . . . . 2.31 108.498 175.663 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -107.86 -32.22 7.69 Favored 'General case' 0 CA--C 1.481 -1.685 0 CA-C-N 115.294 -0.866 . . . . 1.67 110.322 -178.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.635 HD12 ' HA ' ' A' ' 32' ' ' PHE . 77.2 mt -89.69 156.26 18.67 Favored 'General case' 0 N--CA 1.426 -1.633 0 N-CA-C 107.875 -1.157 . . . . 0.69 107.875 178.344 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -92.88 18.84 8.4 Favored 'General case' 0 C--N 1.302 -1.498 0 CA-C-O 122.828 1.299 . . . . 2.15 109.437 -179.254 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.493 HG23 ' HB3' ' A' ' 36' ' ' LEU . 21.7 t -89.53 100.63 11.12 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.015 0 CA-C-N 113.731 -1.577 . . . . 2.23 107.856 -178.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -56.64 149.2 18.16 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 109.74 -0.467 . . . . 2.96 109.74 177.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.596 ' HB3' HG21 ' A' ' 33' ' ' THR . 35.8 p -60.74 -40.23 91.65 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 112.654 0.613 . . . . 1.19 112.654 -175.182 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.1 mp -65.84 -23.03 66.59 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.505 0.669 . . . . 1.34 110.415 -179.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 48.9 m -81.99 -30.58 31.54 Favored 'General case' 0 N--CA 1.435 -1.178 0 CA-C-N 115.349 -0.841 . . . . 1.26 110.684 178.163 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 9.0 tmm? -70.08 -23.0 62.99 Favored 'General case' 0 C--O 1.219 -0.509 0 N-CA-C 108.95 -0.759 . . . . 0.97 108.95 -178.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 43.2 t -57.12 -31.89 38.6 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.165 0 CA-C-N 115.526 -0.761 . . . . 0.65 110.533 178.38 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -74.67 -29.1 61.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.72 0.772 . . . . 2.06 109.733 178.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.512 ' HA ' HG21 ' A' ' 14' ' ' ILE . 93.8 t -75.21 -58.91 3.82 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.068 0 CA-C-N 114.787 -1.097 . . . . 1.43 110.394 -178.243 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.429 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 12.1 p -51.7 -42.07 30.34 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.924 0 N-CA-C 113.327 0.862 . . . . 0.53 113.327 -175.589 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 11.5 p -69.94 -23.11 25.15 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.994 0 CA-C-O 121.576 0.703 . . . . 0.65 111.018 -178.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -86.21 -29.16 23.39 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.595 0.712 . . . . 0.32 109.233 177.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.64 -27.73 63.28 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.684 -0.689 . . . . 0.36 111.491 -179.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.431 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 91.7 mt-10 -53.95 -51.22 64.5 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-O 121.698 0.761 . . . . 0.78 110.247 177.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -79.74 -31.7 41.05 Favored 'General case' 0 C--N 1.307 -1.264 0 CA-C-N 115.391 -0.822 . . . . 0.96 111.453 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -62.86 -45.87 90.55 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 122.765 0.426 . . . . 3.85 110.98 -176.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.541 ' HB2' HG12 ' A' ' 56' ' ' VAL . 59.1 m-85 -104.05 6.52 36.05 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 120.541 -0.464 . . . . 0.4 112.137 -176.269 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 31.8 t70 63.34 38.17 10.4 Favored 'General case' 0 N--CA 1.489 1.487 0 CA-C-O 122.886 1.327 . . . . 1.95 110.454 177.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.956 HG11 HG23 ' A' ' 76' ' ' ILE . 6.8 p -131.97 104.66 8.48 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.277 0 CA-C-N 115.027 -0.988 . . . . 1.37 110.929 -176.273 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -72.77 93.95 1.73 Allowed 'General case' 0 C--N 1.292 -1.912 0 CA-C-N 115.124 -0.944 . . . . 3.34 108.946 176.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.589 HD11 HG12 ' A' ' 76' ' ' ILE . 73.7 mt -88.42 112.7 51.58 Favored Pre-proline 0 C--N 1.305 -1.337 0 CA-C-N 115.474 -0.785 . . . . 0.57 109.37 -179.118 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.45 ' O ' HG23 ' A' ' 63' ' ' VAL . 34.6 Cg_exo -63.8 146.78 92.27 Favored 'Trans proline' 0 N--CA 1.456 -0.711 0 C-N-CA 122.7 2.267 . . . . 0.63 110.798 179.377 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -53.88 -33.11 55.5 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.418 0.687 . . . . 2.3 111.149 -179.518 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -62.99 -44.55 95.71 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.672 -0.695 . . . . 2.38 110.767 177.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.525 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 6.7 m-20 -71.67 -29.8 65.01 Favored 'General case' 0 CA--C 1.499 -0.992 0 CA-C-N 116.159 -0.473 . . . . 1.52 111.988 -178.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 59' ' ' PRO . 59.9 t -60.5 -41.18 86.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 109.078 -0.712 . . . . 0.79 109.078 176.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -76.41 -13.41 60.12 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.214 -0.903 . . . . 1.24 111.136 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -89.88 -24.17 21.44 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-O 120.927 0.394 . . . . 2.07 110.888 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' A' ' 62' ' ' ASP . 91.2 mt -77.55 169.53 18.14 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.361 -0.381 . . . . 0.6 110.286 -178.131 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.423 ' HG3' ' H ' ' A' ' 68' ' ' THR . 38.4 pttt -148.86 -75.09 0.17 Allowed 'General case' 0 C--N 1.311 -1.081 0 N-CA-C 112.368 0.507 . . . . 2.69 112.368 -177.809 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.682 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 69.5 p -85.96 175.32 8.67 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.906 -0.496 . . . . 0.46 110.213 -179.304 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 88.8 t -70.51 -37.09 68.85 Favored 'Isoleucine or valine' 0 N--CA 1.408 -2.538 0 N-CA-C 107.225 -1.398 . . . . 0.66 107.225 173.178 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.585 ' HA2' HD12 ' A' ' 28' ' ' LEU . . . -63.13 -37.38 94.82 Favored Glycine 0 N--CA 1.45 -0.409 0 CA-C-N 115.553 -0.749 . . . . 0.46 112.634 177.744 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -77.16 -36.64 55.04 Favored 'General case' 0 C--N 1.315 -0.921 0 O-C-N 122.332 -0.51 . . . . 1.62 110.411 179.058 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.434 ' HA ' HD22 ' A' ' 66' ' ' LEU . . . -66.03 -53.78 34.22 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.544 -0.753 . . . . 0.51 110.791 -177.624 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.404 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 14.6 p -50.06 -53.01 29.92 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 123.869 0.868 . . . . 0.46 111.525 -178.821 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 21.5 tptm -51.14 -40.19 57.99 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.316 1.446 . . . . 3.54 111.416 -178.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.481 ' HE2' HG23 ' A' ' 58' ' ' ILE . 61.5 t80 -76.55 -48.21 20.07 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 120.755 0.312 . . . . 0.83 110.639 177.073 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.956 HG23 HG11 ' A' ' 56' ' ' VAL . 94.5 mt -50.4 -57.53 2.41 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 C-N-CA 123.982 0.913 . . . . 0.65 111.341 -178.782 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 73' ' ' THR . 4.5 pp -64.76 -21.84 66.85 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 112.905 0.705 . . . . 1.74 112.905 -178.021 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 30.2 t70 . . . . . 0 C--N 1.3 -1.583 0 C-N-CA 120.523 -0.471 . . . . 1.32 111.303 -178.164 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.438 -1.066 0 CA-C-O 120.833 0.349 . . . . 1.12 110.339 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.508 ' O ' HG12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -92.6 -164.67 1.21 Allowed 'General case' 0 C--N 1.307 -1.246 0 CA-C-O 119.14 -0.457 . . . . 1.57 110.285 -178.2 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.594 ' HB2' HD11 ' A' ' 28' ' ' LEU . 0.3 OUTLIER -60.64 -40.22 91.16 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 114.431 1.271 . . . . 1.76 114.431 -170.375 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -68.06 -45.22 74.45 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.408 0.623 . . . . 3.05 109.457 179.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -64.66 -37.65 88.3 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 114.581 -1.19 . . . . 2.53 110.372 -179.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.508 HG12 ' O ' ' A' ' 3' ' ' THR . 39.2 mm -71.24 -52.84 23.96 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.378 0 CA-C-N 116.124 -0.489 . . . . 0.45 110.262 179.213 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.495 ' HA ' HD12 ' A' ' 11' ' ' LEU . 93.3 t -59.94 -36.98 70.2 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 N-CA-C 112.071 0.397 . . . . 0.57 112.071 -178.558 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.69 -34.02 76.27 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 121.127 0.489 . . . . 0.48 110.54 176.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.523 ' O ' ' HB3' ' A' ' 13' ' ' GLU . . . -77.53 -36.91 32.35 Favored Glycine 0 N--CA 1.439 -1.112 0 N-CA-C 110.684 -0.966 . . . . 0.37 110.684 176.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.495 HD12 ' HA ' ' A' ' 8' ' ' VAL . 95.1 mt -58.58 -51.72 68.69 Favored 'General case' 0 CA--C 1.51 -0.565 0 CA-C-O 121.294 0.569 . . . . 0.33 109.661 177.164 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.413 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -67.71 -18.67 64.99 Favored 'General case' 0 C--O 1.202 -1.442 0 CA-C-N 115.25 -0.886 . . . . 0.28 112.095 -178.424 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.523 ' HB3' ' O ' ' A' ' 10' ' ' GLY . 7.6 tp10 -66.27 -52.61 45.79 Favored 'General case' 0 N--CA 1.425 -1.724 0 N-CA-C 109.05 -0.722 . . . . 2.48 109.05 177.354 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.529 HG21 ' HA ' ' A' ' 46' ' ' VAL . 3.8 mp -72.41 -35.66 52.45 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.941 0 C-N-CA 119.614 -0.835 . . . . 0.44 109.607 178.133 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 56.2 t -67.07 -23.3 30.48 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.18 0 CA-C-O 121.274 0.559 . . . . 0.34 111.582 178.39 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.458 ' O ' ' HA2' ' A' ' 20' ' ' GLY . 28.1 t-20 -72.0 -29.86 64.64 Favored 'General case' 0 C--N 1.313 -1.018 0 O-C-N 121.473 -0.767 . . . . 0.95 109.946 175.497 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -80.86 -40.03 25.46 Favored 'General case' 0 C--N 1.302 -1.462 0 CA-C-N 115.619 -0.719 . . . . 2.11 109.738 178.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.479 HG13 HG22 ' A' ' 46' ' ' VAL . 47.2 mm -78.82 -53.46 13.62 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.267 0 CA-C-N 115.936 -0.574 . . . . 0.71 111.514 -177.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -100.04 -49.52 4.28 Favored 'General case' 0 C--N 1.302 -1.48 0 CA-C-O 120.802 0.334 . . . . 0.68 110.786 -176.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.458 ' HA2' ' O ' ' A' ' 16' ' ' ASN . . . 116.35 3.58 18.85 Favored Glycine 0 C--N 1.315 -0.608 0 C-N-CA 119.653 -1.261 . . . . 0.93 114.192 178.252 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.609 HG21 HD22 ' A' ' 36' ' ' LEU . 2.2 pp -64.63 146.95 98.15 Favored Pre-proline 0 C--N 1.317 -0.829 0 N-CA-C 112.513 0.56 . . . . 0.6 112.513 178.566 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 21' ' ' ILE . 13.4 Cg_exo -70.22 135.11 28.55 Favored 'Trans proline' 0 N--CA 1.445 -1.325 0 C-N-CA 122.299 1.999 . . . . 0.75 109.811 177.293 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.413 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 33.7 m -63.88 -28.88 45.88 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.951 0 CA-C-O 121.351 0.596 . . . . 1.48 110.599 -178.224 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -74.48 -14.84 60.88 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.329 -0.851 . . . . 2.03 110.788 -179.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -92.83 -19.12 22.04 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-O 121.271 0.558 . . . . 1.07 110.84 -175.14 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.721 ' HA ' ' HG3' ' A' ' 30' ' ' LYS . 39.8 t -94.03 94.96 4.85 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.583 0 CA-C-N 116.016 -0.538 . . . . 0.73 110.922 -176.139 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -93.68 -169.62 2.15 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 107.156 -1.424 . . . . 2.83 107.156 172.012 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.594 HD11 ' HB2' ' A' ' 4' ' ' GLN . 4.4 mm? -73.22 -11.91 60.68 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 112.353 0.501 . . . . 1.07 112.353 -178.524 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -90.3 18.46 6.04 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 121.535 0.683 . . . . 2.47 110.818 -177.135 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.721 ' HG3' ' HA ' ' A' ' 26' ' ' VAL . 72.3 mmtt -104.38 166.78 10.17 Favored 'General case' 0 C--N 1.303 -1.445 0 CA-C-O 121.574 0.702 . . . . 1.06 110.372 179.255 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.45 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 30.8 t -140.28 161.92 36.52 Favored 'General case' 0 C--N 1.286 -2.191 0 N-CA-C 106.162 -1.792 . . . . 1.31 106.162 176.226 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.492 ' O ' ' HB2' ' A' ' 36' ' ' LEU . 97.6 m-85 -77.67 -48.43 16.79 Favored 'General case' 0 CA--C 1.48 -1.716 0 C-N-CA 120.708 -0.397 . . . . 1.03 110.033 -171.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.621 HG21 ' OG ' ' A' ' 40' ' ' SER . 76.4 p -119.43 -2.24 10.6 Favored 'General case' 0 N--CA 1.412 -2.361 0 C-N-CA 118.033 -1.467 . . . . 1.37 113.64 -179.295 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -91.93 -25.49 18.87 Favored 'General case' 0 CA--C 1.484 -1.586 0 C-N-CA 120.007 -0.677 . . . . 2.31 110.059 176.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.411 ' HB3' ' H ' ' A' ' 31' ' ' SER . 10.8 t70 -117.88 -52.08 2.44 Favored 'General case' 0 C--N 1.309 -1.191 0 C-N-CA 120.082 -0.647 . . . . 1.67 109.557 178.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.609 HD22 HG21 ' A' ' 21' ' ' ILE . 82.9 mt -75.07 168.06 20.71 Favored 'General case' 0 C--O 1.241 0.647 0 CA-C-O 121.153 0.501 . . . . 0.69 110.813 -176.778 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -92.22 10.9 27.59 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 115.9 -0.591 . . . . 2.15 110.687 -173.145 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.533 HG11 ' HB2' ' A' ' 43' ' ' MET . 47.0 t -52.41 130.92 13.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 C-N-CA 123.706 0.802 . . . . 2.23 111.016 -177.106 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -70.35 16.73 0.07 Allowed 'General case' 0 CA--C 1.568 1.65 0 C-N-CA 125.621 1.568 . . . . 2.96 112.474 -176.399 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.621 ' OG ' HG21 ' A' ' 33' ' ' THR . 3.5 m 63.48 -74.13 0.04 OUTLIER 'General case' 0 CA--C 1.513 -0.475 0 N-CA-C 115.161 1.541 . . . . 1.19 115.161 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.9 mp -61.88 -25.8 67.76 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 122.212 1.006 . . . . 1.34 109.758 -176.375 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 41.3 m -74.95 -20.12 59.82 Favored 'General case' 0 C--N 1.301 -1.506 0 CA-C-N 114.34 -1.3 . . . . 1.26 112.268 179.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.533 ' HB2' HG11 ' A' ' 38' ' ' VAL . 8.0 tmm? -74.54 -21.6 59.44 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 108.454 -0.943 . . . . 0.97 108.454 -179.187 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 37.2 t -61.27 -27.19 41.32 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.488 0 CA-C-N 115.621 -0.718 . . . . 0.65 109.778 178.138 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -79.93 -18.4 50.6 Favored 'General case' 0 C--N 1.34 0.18 0 CA-C-N 115.937 -0.574 . . . . 2.06 111.187 175.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.529 ' HA ' HG21 ' A' ' 14' ' ' ILE . 94.8 t -77.58 -58.18 4.63 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.003 0 N-CA-C 108.093 -1.076 . . . . 1.43 108.093 176.286 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.418 HG11 HG11 ' A' ' 63' ' ' VAL . 11.9 p -57.46 -34.45 46.71 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.235 0 N-CA-C 113.486 0.921 . . . . 0.53 113.486 -176.777 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 14.8 p -66.58 -31.12 52.12 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.827 0 CA-C-O 121.507 0.67 . . . . 0.65 110.165 177.355 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.544 ' O ' ' HB2' ' A' ' 53' ' ' ARG . . . -82.7 -25.01 33.38 Favored 'General case' 0 N--CA 1.443 -0.806 0 N-CA-C 109.223 -0.658 . . . . 0.32 109.223 178.253 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.43 -38.13 80.9 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-N 115.751 -0.658 . . . . 0.36 111.43 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.439 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 41.0 mt-10 -53.32 -54.02 42.48 Favored 'General case' 0 C--O 1.214 -0.814 0 CA-C-O 121.275 0.56 . . . . 0.78 110.742 178.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -72.62 -31.92 65.53 Favored 'General case' 0 C--N 1.306 -1.316 0 CA-C-N 115.567 -0.742 . . . . 0.96 111.749 -179.009 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.544 ' HB2' ' O ' ' A' ' 49' ' ' ALA . 4.0 tpt180 -66.59 -40.51 88.94 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.166 0.507 . . . . 3.85 110.36 -176.602 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.447 ' HB2' HG12 ' A' ' 56' ' ' VAL . 36.4 m-85 -104.32 1.25 30.12 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 116.191 -0.459 . . . . 0.4 110.981 -177.578 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 29.8 t70 60.89 34.11 19.68 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.963 1.305 . . . . 1.95 110.73 177.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.587 HG11 HG23 ' A' ' 76' ' ' ILE . 5.6 p -138.1 109.03 5.36 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.129 0 CA-C-N 114.971 -1.013 . . . . 1.37 109.273 -178.41 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -74.03 143.26 45.6 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 115.326 -0.852 . . . . 3.34 112.732 -177.115 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.497 HG12 ' HE2' ' A' ' 75' ' ' TYR . 28.9 mt -132.54 100.35 15.09 Favored Pre-proline 0 C--N 1.306 -1.302 0 CA-C-N 114.593 -1.185 . . . . 0.57 108.492 -174.733 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.485 ' O ' HG23 ' A' ' 63' ' ' VAL . 52.3 Cg_exo -57.03 137.41 81.83 Favored 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 123.123 2.549 . . . . 0.63 111.676 178.395 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -47.99 -41.62 25.83 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 125.461 1.504 . . . . 2.3 112.673 -175.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -59.48 -43.95 93.15 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.866 -0.606 . . . . 2.38 111.777 178.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.438 ' HA ' ' ND2' ' A' ' 65' ' ' ASN . 10.8 t70 -86.2 -19.65 29.71 Favored 'General case' 0 C--N 1.314 -0.96 0 C-N-CA 120.657 -0.417 . . . . 1.52 111.562 -174.098 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 59' ' ' PRO . 83.4 t -53.87 -56.83 7.32 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.107 0 N-CA-C 108.887 -0.783 . . . . 0.79 108.887 174.782 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt -72.16 -2.07 17.32 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.162 -0.927 . . . . 1.24 112.817 -173.441 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.438 ' ND2' ' HA ' ' A' ' 62' ' ' ASP . 92.7 m-20 -83.26 -14.44 53.15 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.793 -0.639 . . . . 2.07 109.534 175.237 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.572 HD13 ' HA ' ' A' ' 72' ' ' ALA . 77.2 mt -87.75 177.07 7.12 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 109.162 -0.681 . . . . 0.6 109.162 179.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.429 ' HG3' ' H ' ' A' ' 68' ' ' THR . 14.9 ptpt -149.33 -70.61 0.2 Allowed 'General case' 0 C--N 1.312 -1.032 0 N-CA-C 113.691 0.997 . . . . 2.69 113.691 -177.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.448 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 73.8 p -88.77 -178.74 5.84 Favored 'General case' 0 N--CA 1.438 -1.066 0 O-C-N 121.657 -0.652 . . . . 0.46 109.431 -178.517 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 28.6 m -83.59 -13.56 11.8 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 C-N-CA 119.455 -0.898 . . . . 0.66 109.002 175.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.576 ' HA2' HD12 ' A' ' 28' ' ' LEU . . . -83.42 -29.8 32.12 Favored Glycine 0 N--CA 1.439 -1.147 0 N-CA-C 110.029 -1.229 . . . . 0.46 110.029 175.663 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.491 ' OD2' ' HA ' ' A' ' 66' ' ' LEU . 35.7 t70 -83.07 -34.78 26.11 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 120.981 0.419 . . . . 1.62 110.292 176.653 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.572 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -64.82 -32.59 74.36 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.292 0.568 . . . . 0.51 111.125 -179.645 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.9 p -72.73 -21.58 61.01 Favored 'General case' 0 N--CA 1.413 -2.284 0 CA-C-N 115.766 -0.652 . . . . 0.46 112.61 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 55.5 tptt -61.21 -50.17 74.18 Favored 'General case' 0 C--O 1.219 -0.501 0 C-N-CA 123.032 0.533 . . . . 3.54 110.444 -179.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.497 ' HE2' HG12 ' A' ' 58' ' ' ILE . 85.9 t80 -62.19 -41.12 98.05 Favored 'General case' 0 C--O 1.244 0.799 0 CA-C-O 121.848 0.832 . . . . 0.83 110.869 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.587 HG23 HG11 ' A' ' 56' ' ' VAL . 93.8 mt -66.68 -65.37 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.455 0 CA-C-N 114.718 -1.128 . . . . 0.65 110.384 -178.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 10.8 mp -54.55 -21.98 11.81 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 125.191 1.396 . . . . 1.74 112.986 178.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 31.3 t70 . . . . . 0 C--N 1.31 -1.149 0 CA-C-O 120.907 0.384 . . . . 1.32 110.644 174.869 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.241 0.637 0 N-CA-C 107.576 -1.268 . . . . 1.12 107.576 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.601 ' O ' HG12 ' A' ' 7' ' ' ILE . 0.3 OUTLIER -93.18 175.72 6.67 Favored 'General case' 0 C--N 1.3 -1.558 0 C-N-CA 118.956 -1.098 . . . . 1.57 111.862 -174.873 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.481 ' H ' HG22 ' A' ' 3' ' ' THR . 3.9 pt20 -54.22 -41.02 68.2 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 114.206 1.188 . . . . 1.76 114.206 -170.065 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -65.69 -45.21 83.66 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.426 -0.583 . . . . 3.05 109.426 178.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 -59.97 -41.02 91.07 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 115.54 -0.755 . . . . 2.53 109.859 176.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.601 HG12 ' O ' ' A' ' 3' ' ' THR . 48.7 mm -62.18 -58.74 6.21 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.236 0 CA-C-N 115.428 -0.805 . . . . 0.45 109.625 179.612 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.549 ' HA ' HD12 ' A' ' 11' ' ' LEU . 94.2 t -54.42 -49.96 61.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 123.447 0.699 . . . . 0.57 111.68 -178.247 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.43 -36.74 74.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.435 -0.348 . . . . 0.48 110.934 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.433 ' C ' ' HZ ' ' A' ' 54' ' ' PHE . . . -70.68 -39.82 66.46 Favored Glycine 0 N--CA 1.445 -0.758 0 N-CA-C 110.74 -0.944 . . . . 0.37 110.74 178.66 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.549 HD12 ' HA ' ' A' ' 8' ' ' VAL . 96.9 mt -55.56 -46.24 77.2 Favored 'General case' 0 C--O 1.24 0.556 0 C-N-CA 123.342 0.657 . . . . 0.33 110.059 178.748 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.42 -23.9 67.06 Favored 'General case' 0 N--CA 1.44 -0.936 0 CA-C-N 115.275 -0.875 . . . . 0.28 112.259 -178.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -66.31 -43.77 85.27 Favored 'General case' 0 CA--C 1.508 -0.642 0 N-CA-C 110.454 -0.202 . . . . 2.48 110.454 177.36 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.839 ' HB ' HG23 ' A' ' 46' ' ' VAL . 4.6 mp -78.46 -36.85 20.77 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.876 0 C-N-CA 119.016 -1.074 . . . . 0.44 109.089 178.175 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.596 HG23 HG21 ' A' ' 46' ' ' VAL . 97.8 t -63.73 -23.18 32.7 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.316 0 CA-C-O 121.589 0.709 . . . . 0.34 111.618 177.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -66.36 -28.48 68.68 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.301 0.572 . . . . 0.95 110.159 174.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -83.43 -43.82 15.44 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 109.054 -0.721 . . . . 2.11 109.054 174.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.613 HG13 ' HB ' ' A' ' 46' ' ' VAL . 51.0 mm -58.04 -52.64 55.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.291 -0.868 . . . . 0.71 111.01 -178.259 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -124.23 -42.67 2.11 Favored 'General case' 0 C--N 1.313 -1.008 0 N-CA-C 112.196 0.443 . . . . 0.68 112.196 -177.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 106.23 52.82 0.76 Allowed Glycine 0 C--N 1.316 -0.567 0 C-N-CA 119.506 -1.33 . . . . 0.93 112.621 -179.365 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.466 HG13 HG12 ' A' ' 15' ' ' VAL . 1.8 pp -98.87 161.49 24.74 Favored Pre-proline 0 C--N 1.307 -1.254 0 O-C-N 122.72 -0.283 . . . . 0.6 110.926 177.682 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.449 ' HB2' ' HB2' ' A' ' 25' ' ' ASP . 16.3 Cg_exo -73.38 131.37 16.24 Favored 'Trans proline' 0 N--CA 1.451 -0.987 0 C-N-CA 122.547 2.164 . . . . 0.75 109.787 175.457 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 14.0 p -61.24 -33.03 54.63 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.143 0 N-CA-C 112.305 0.483 . . . . 1.48 112.305 -176.162 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -89.12 -2.9 58.74 Favored 'General case' 0 C--N 1.32 -0.685 0 O-C-N 122.08 -0.388 . . . . 2.03 111.532 -179.066 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.449 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 24.7 t70 -85.1 -28.56 25.51 Favored 'General case' 0 C--O 1.24 0.598 0 CA-C-O 121.903 0.859 . . . . 1.07 109.552 -177.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 32.9 t -82.06 95.35 3.07 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.581 0 CA-C-N 114.385 -1.28 . . . . 0.73 109.472 -179.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -106.95 178.34 4.59 Favored 'General case' 0 C--N 1.309 -1.188 0 N-CA-C 109.134 -0.691 . . . . 2.83 109.134 173.226 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.451 HD13 HG21 ' A' ' 8' ' ' VAL . 3.8 mm? -51.29 -36.91 44.68 Favored 'General case' 0 N--CA 1.484 1.27 0 N-CA-C 114.659 1.355 . . . . 1.07 114.659 -172.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -85.0 10.96 10.46 Favored 'General case' 0 C--N 1.304 -1.376 0 N-CA-C 112.939 0.718 . . . . 2.47 112.939 -176.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.518 ' HD2' ' HB3' ' A' ' 35' ' ' ASP . 74.9 mmtt -98.17 140.97 31.69 Favored 'General case' 0 C--N 1.309 -1.182 0 O-C-N 122.268 -0.27 . . . . 1.06 110.655 179.138 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.67 ' OG ' ' HB2' ' A' ' 34' ' ' ASP . 8.7 p -113.89 163.77 14.65 Favored 'General case' 0 C--N 1.295 -1.793 0 N-CA-C 107.808 -1.182 . . . . 1.31 107.808 175.232 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.456 ' O ' ' HB2' ' A' ' 36' ' ' LEU . 91.1 m-85 -74.02 -39.64 63.44 Favored 'General case' 0 N--CA 1.445 -0.689 0 N-CA-C 113.396 0.888 . . . . 1.03 113.396 -170.392 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.644 HG21 ' HB3' ' A' ' 40' ' ' SER . 8.9 t -128.42 30.66 5.14 Favored 'General case' 0 C--N 1.298 -1.656 0 CA-C-O 122.885 1.326 . . . . 1.37 111.594 -175.771 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.67 ' HB2' ' OG ' ' A' ' 31' ' ' SER . 2.8 m-20 -126.94 -61.72 1.16 Allowed 'General case' 0 C--N 1.298 -1.636 0 CA-C-N 114.788 -1.097 . . . . 2.31 108.139 174.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.518 ' HB3' ' HD2' ' A' ' 30' ' ' LYS . 2.8 m-20 -80.9 -39.75 25.79 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 116.316 -0.402 . . . . 1.67 110.793 174.296 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.456 ' HB2' ' O ' ' A' ' 32' ' ' PHE . 77.4 mt -90.93 177.97 6.15 Favored 'General case' 0 N--CA 1.43 -1.464 0 C-N-CA 120.25 -0.58 . . . . 0.69 109.504 -179.059 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -124.3 72.48 1.19 Allowed 'General case' 0 C--N 1.294 -1.842 0 N-CA-C 106.416 -1.698 . . . . 2.15 106.416 -178.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 48.6 t -131.46 113.72 23.96 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.702 0 CA-C-N 113.411 -1.722 . . . . 2.23 107.865 -173.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -49.41 125.09 10.44 Favored 'General case' 0 CA--C 1.51 -0.589 0 O-C-N 124.236 0.96 . . . . 2.96 109.533 176.583 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.644 ' HB3' HG21 ' A' ' 33' ' ' THR . 78.6 p -72.22 -35.58 68.93 Favored 'General case' 0 C--N 1.279 -2.477 0 CA-C-N 115.008 -0.996 . . . . 1.19 112.064 -172.737 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.7 mp -64.83 -30.06 71.05 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.036 -1.098 . . . . 1.34 108.036 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 27.6 m -80.41 -15.3 57.15 Favored 'General case' 0 N--CA 1.434 -1.25 0 CA-C-N 114.106 -1.407 . . . . 1.26 111.692 179.272 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 30.4 ttp -67.73 -22.16 65.26 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-O 121.291 0.567 . . . . 0.97 110.341 -177.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.507 ' HA ' HG12 ' A' ' 47' ' ' VAL . 59.2 t -54.1 -40.2 45.25 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.468 0 CA-C-N 115.597 -0.729 . . . . 0.65 109.779 177.595 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -66.5 -29.89 70.1 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.93 -0.577 . . . . 2.06 111.97 -178.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.839 HG23 ' HB ' ' A' ' 14' ' ' ILE . 7.4 p -86.7 -37.05 10.97 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.838 0 C-N-CA 120.21 -0.596 . . . . 1.43 111.692 178.65 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.507 HG12 ' HA ' ' A' ' 44' ' ' VAL . 13.8 p -64.8 -39.9 87.22 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.705 0 C-N-CA 120.16 -0.616 . . . . 0.53 111.626 -178.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 12.4 p -69.84 -22.89 25.14 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.936 0 CA-C-O 121.676 0.751 . . . . 0.65 110.599 179.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -86.22 -29.16 23.38 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 121.712 0.768 . . . . 0.32 109.752 178.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.61 -32.92 73.14 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 115.427 -0.806 . . . . 0.36 111.287 -178.3 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -53.6 -59.34 4.72 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.578 0.704 . . . . 0.78 109.766 178.22 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -69.8 -36.0 75.32 Favored 'General case' 0 C--N 1.296 -1.732 0 CA-C-N 115.33 -0.85 . . . . 0.96 113.084 -177.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -67.6 -38.51 84.09 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.005 0.431 . . . . 3.85 110.211 -176.355 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.433 ' HZ ' ' C ' ' A' ' 10' ' ' GLY . 61.8 m-85 -103.88 14.71 30.27 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 112.86 0.689 . . . . 0.4 112.86 -174.702 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 58.82 49.55 9.79 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 124.143 0.902 . . . . 1.95 110.422 178.06 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.744 HG22 ' H ' ' A' ' 57' ' ' LYS . 7.5 p -141.25 -169.76 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.295 -1.796 0 N-CA-C 109.458 -0.571 . . . . 1.37 109.458 -177.428 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.744 ' H ' HG22 ' A' ' 56' ' ' VAL . 5.4 tmtm? -146.28 133.3 20.29 Favored 'General case' 0 C--N 1.294 -1.842 0 N-CA-C 103.963 -2.606 . . . . 3.34 103.963 176.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.499 ' N ' ' HD3' ' A' ' 57' ' ' LYS . 43.5 mt -130.52 98.07 20.82 Favored Pre-proline 0 C--N 1.303 -1.424 0 N-CA-C 108.655 -0.868 . . . . 0.57 108.655 -177.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.437 ' O ' HG23 ' A' ' 63' ' ' VAL . 17.8 Cg_endo -61.16 131.15 35.26 Favored 'Trans proline' 0 N--CA 1.457 -0.675 0 C-N-CA 122.875 2.384 . . . . 0.63 111.024 179.029 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -52.82 -32.61 45.14 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.866 0.867 . . . . 2.3 112.666 -177.255 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -65.96 -34.2 77.57 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-O 120.876 0.37 . . . . 2.38 111.252 178.371 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -86.53 -23.01 26.03 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.644 -0.502 . . . . 1.52 109.644 -175.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 59' ' ' PRO . 81.2 t -54.98 -58.53 3.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 CA-C-N 115.168 -0.924 . . . . 0.79 109.595 175.522 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 57.0 mttp -61.32 -16.18 43.28 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 116.049 -0.523 . . . . 1.24 112.111 -178.009 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -85.0 -23.09 28.82 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-O 120.671 0.272 . . . . 2.07 110.844 -176.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.655 HD13 ' HA ' ' A' ' 72' ' ' ALA . 77.3 mt -91.16 -176.05 4.47 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.799 -0.445 . . . . 0.6 109.799 -179.456 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.506 ' HE3' ' HB2' ' A' ' 67' ' ' LYS . 17.7 ptmt -148.27 -67.38 0.24 Allowed 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 115.584 1.698 . . . . 2.69 115.584 178.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.487 HG22 ' HB3' ' A' ' 31' ' ' SER . 65.0 p -87.03 176.5 7.6 Favored 'General case' 0 N--CA 1.44 -0.94 0 N-CA-C 109.682 -0.488 . . . . 0.46 109.682 -176.629 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 22.3 m -79.08 -19.14 12.92 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.275 0 C-N-CA 120.393 -0.523 . . . . 0.66 109.814 177.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -80.1 -30.38 42.48 Favored Glycine 0 N--CA 1.444 -0.795 0 N-CA-C 110.066 -1.214 . . . . 0.46 110.066 174.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -76.52 -31.54 57.71 Favored 'General case' 0 C--N 1.311 -1.078 0 N-CA-C 108.35 -0.981 . . . . 1.62 108.35 176.017 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.655 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -73.92 -48.02 33.65 Favored 'General case' 0 CA--C 1.505 -0.758 0 CA-C-N 114.816 -1.084 . . . . 0.51 111.636 -178.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.403 HG22 ' CG2' ' A' ' 7' ' ' ILE . 13.2 p -61.17 -23.15 65.36 Favored 'General case' 0 N--CA 1.436 -1.151 0 N-CA-C 113.042 0.756 . . . . 0.46 113.042 -177.669 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -70.1 -26.98 64.24 Favored 'General case' 0 C--N 1.319 -0.732 0 O-C-N 123.351 0.407 . . . . 3.54 110.133 -179.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.407 ' HE2' ' HA ' ' A' ' 58' ' ' ILE . 79.8 t80 -84.58 -47.34 10.65 Favored 'General case' 0 C--O 1.246 0.917 0 CA-C-O 121.671 0.748 . . . . 0.83 109.548 176.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.654 HG23 HG11 ' A' ' 56' ' ' VAL . 79.7 mt -57.15 -55.51 20.14 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.008 0 CA-C-N 114.703 -1.135 . . . . 0.65 110.316 -179.534 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 67.7 tp -65.9 -24.01 66.75 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 123.299 0.64 . . . . 1.74 111.55 -179.352 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 28.5 t70 . . . . . 0 C--N 1.321 -0.672 0 C-N-CA 120.742 -0.383 . . . . 1.32 111.523 179.843 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.499 -0.992 0 N-CA-C 110.241 -0.281 . . . . 1.12 110.241 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.629 ' O ' HG12 ' A' ' 7' ' ' ILE . 8.9 t -80.05 171.0 15.67 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 120.55 -0.46 . . . . 1.57 111.214 179.172 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.48 ' HG2' HD11 ' A' ' 28' ' ' LEU . 31.5 tt0 -57.52 -28.43 63.47 Favored 'General case' 0 N--CA 1.434 -1.269 0 C-N-CA 124.118 0.967 . . . . 1.76 109.844 179.335 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -71.95 -49.03 40.98 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 109.109 -0.7 . . . . 3.05 109.109 179.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -65.46 -35.89 82.25 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 114.909 -1.041 . . . . 2.53 109.859 179.569 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.629 HG12 ' O ' ' A' ' 3' ' ' THR . 37.2 mm -59.12 -56.76 14.87 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.323 0 O-C-N 123.794 0.684 . . . . 0.45 109.583 179.401 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.47 ' HA ' HD12 ' A' ' 11' ' ' LEU . 88.3 t -56.04 -47.9 79.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 CA-C-N 115.995 -0.548 . . . . 0.57 110.465 179.594 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.404 ' O ' ' HG3' ' A' ' 13' ' ' GLU . . . -56.27 -38.59 71.38 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 115.925 -0.579 . . . . 0.48 111.345 178.698 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -69.61 -39.59 78.23 Favored Glycine 0 C--O 1.227 -0.343 0 N-CA-C 111.089 -0.805 . . . . 0.37 111.089 179.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.47 HD12 ' HA ' ' A' ' 8' ' ' VAL . 96.6 mt -58.25 -46.22 86.37 Favored 'General case' 0 C--O 1.24 0.58 0 CA-C-O 121.407 0.623 . . . . 0.33 109.973 178.34 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.5 -23.66 67.49 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 114.988 -1.005 . . . . 0.28 112.648 -178.139 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.404 ' HG3' ' O ' ' A' ' 9' ' ' ALA . 43.5 mt-10 -64.28 -47.3 80.05 Favored 'General case' 0 CA--C 1.509 -0.624 0 N-CA-C 109.72 -0.474 . . . . 2.48 109.72 178.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.776 ' HB ' HG23 ' A' ' 46' ' ' VAL . 3.6 mp -79.42 -30.88 13.97 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.631 0 C-N-CA 119.53 -0.868 . . . . 0.44 109.572 179.396 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 59.0 t -65.58 -23.38 32.57 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.276 0 O-C-N 121.197 -0.94 . . . . 0.34 110.564 176.295 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -68.71 -39.98 80.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 122.012 -0.43 . . . . 0.95 109.995 176.062 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -80.99 -28.76 35.41 Favored 'General case' 0 C--N 1.318 -0.798 0 C-N-CA 120.545 -0.462 . . . . 2.11 111.062 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.613 HG13 ' HB ' ' A' ' 46' ' ' VAL . 46.5 mm -76.3 -53.8 14.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.889 0.376 . . . . 0.71 110.251 178.67 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -110.36 -56.8 2.29 Favored 'General case' 0 C--N 1.305 -1.333 0 CA-C-N 116.179 -0.464 . . . . 0.68 111.092 -175.148 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 113.81 80.33 0.95 Allowed Glycine 0 C--N 1.3 -1.444 0 C-N-CA 119.917 -1.135 . . . . 0.93 111.715 -177.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.427 ' O ' HD12 ' A' ' 21' ' ' ILE . 1.9 pp -139.34 150.22 63.35 Favored Pre-proline 0 C--N 1.3 -1.566 0 C-N-CA 123.442 0.697 . . . . 0.6 109.274 178.297 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -64.77 141.42 71.93 Favored 'Trans proline' 0 N--CA 1.45 -1.069 0 C-N-CA 121.731 1.621 . . . . 0.75 109.507 176.088 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 35.6 m -72.32 6.86 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.348 0 N-CA-C 113.558 0.947 . . . . 1.48 113.558 -177.246 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -112.97 -10.33 13.52 Favored 'General case' 0 N--CA 1.437 -1.115 0 CA-C-N 115.668 -0.696 . . . . 2.03 109.493 176.282 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -76.31 -34.01 59.05 Favored 'General case' 0 C--O 1.243 0.757 0 CA-C-O 121.851 0.834 . . . . 1.07 109.619 -177.518 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.476 HG22 HD21 ' A' ' 36' ' ' LEU . 24.5 t -79.42 92.3 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.447 0 CA-C-N 114.285 -1.325 . . . . 0.73 108.327 -179.652 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.541 ' H ' ' HG3' ' A' ' 30' ' ' LYS . 63.2 mttp -99.87 -177.93 3.7 Favored 'General case' 0 C--N 1.296 -1.721 0 N-CA-C 108.114 -1.069 . . . . 2.83 108.114 175.56 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.48 HD11 ' HG2' ' A' ' 4' ' ' GLN . 4.1 mm? -60.26 -42.03 94.47 Favored 'General case' 0 C--O 1.245 0.856 0 N-CA-C 115.35 1.611 . . . . 1.07 115.35 -171.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -99.6 64.18 1.28 Allowed 'General case' 0 C--N 1.299 -1.587 0 C-N-CA 118.175 -1.41 . . . . 2.47 110.71 -178.284 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.541 ' HG3' ' H ' ' A' ' 27' ' ' LYS . 27.4 mmmt -132.41 123.36 26.56 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 113.843 -1.526 . . . . 1.06 107.502 177.166 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.697 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 50.5 p -95.86 156.55 16.28 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 109.047 -0.723 . . . . 1.31 109.047 177.345 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.694 ' HA ' HD12 ' A' ' 36' ' ' LEU . 95.1 m-85 -75.2 28.47 0.09 Allowed 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 124.326 1.05 . . . . 1.03 113.076 -173.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.423 ' HB ' ' HB3' ' A' ' 40' ' ' SER . 6.0 t -165.94 -56.96 0.03 OUTLIER 'General case' 0 N--CA 1.44 -0.974 0 N-CA-C 112.028 0.381 . . . . 1.37 112.028 -178.418 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -75.19 -41.45 57.88 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-O 121.136 0.493 . . . . 2.31 111.218 -175.509 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.495 ' HB3' ' HD2' ' A' ' 30' ' ' LYS . 9.4 m-20 -90.9 -47.89 7.33 Favored 'General case' 0 C--N 1.308 -1.213 0 CA-C-N 116.171 -0.468 . . . . 1.67 110.245 179.139 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.694 HD12 ' HA ' ' A' ' 32' ' ' PHE . 37.5 mt -72.33 156.35 39.19 Favored 'General case' 0 N--CA 1.436 -1.15 0 CA-C-N 115.86 -0.609 . . . . 0.69 112.05 -177.324 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -91.62 66.68 5.36 Favored 'General case' 0 CA--C 1.487 -1.466 0 N-CA-C 106.786 -1.561 . . . . 2.15 106.786 178.542 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.469 HG23 ' HB3' ' A' ' 36' ' ' LEU . 48.8 t -136.91 131.81 46.96 Favored 'Isoleucine or valine' 0 C--N 1.276 -2.6 0 CA-C-N 113.069 -1.878 . . . . 2.23 106.733 -179.022 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -41.52 -71.63 0.08 Allowed 'General case' 0 N--CA 1.477 0.878 0 O-C-N 124.646 1.216 . . . . 2.96 108.592 170.063 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.423 ' HB3' ' HB ' ' A' ' 33' ' ' THR . 88.6 p 151.39 -48.76 0.01 OUTLIER 'General case' 0 CA--C 1.475 -1.915 0 C-N-CA 127.163 2.185 . . . . 1.19 109.389 167.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.406 HD12 ' OG ' ' A' ' 40' ' ' SER . 6.7 mp -63.14 -21.43 66.19 Favored 'General case' 0 C--O 1.212 -0.88 0 CA-C-O 121.569 0.7 . . . . 1.34 110.015 -176.552 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.7 m -68.76 -19.34 64.32 Favored 'General case' 0 CA--C 1.558 1.278 0 C-N-CA 124.238 1.015 . . . . 1.26 111.53 176.585 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.543 ' HA ' HG12 ' A' ' 46' ' ' VAL . 9.6 tmm? -66.14 -24.76 66.72 Favored 'General case' 0 C--O 1.216 -0.679 0 CA-C-O 121.109 0.48 . . . . 0.97 110.183 -178.452 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.423 ' HA ' HG12 ' A' ' 47' ' ' VAL . 47.0 t -56.75 -33.64 41.26 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.198 0 CA-C-O 121.078 0.466 . . . . 0.65 110.674 179.319 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -73.54 -28.41 61.86 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 116.3 -0.409 . . . . 2.06 112.055 177.093 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.776 HG23 ' HB ' ' A' ' 14' ' ' ILE . 11.4 p -83.14 -36.67 13.06 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.549 0 C-N-CA 119.97 -0.692 . . . . 1.43 111.264 178.757 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.423 HG12 ' HA ' ' A' ' 44' ' ' VAL . 13.5 p -63.21 -41.29 92.24 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.738 0 C-N-CA 120.651 -0.419 . . . . 0.53 111.788 -179.422 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 13.2 p -71.56 -21.97 21.71 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.904 0 CA-C-O 121.771 0.796 . . . . 0.65 110.66 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.437 ' O ' ' HG2' ' A' ' 53' ' ' ARG . . . -86.16 -29.52 23.18 Favored 'General case' 0 N--CA 1.442 -0.841 0 CA-C-O 121.433 0.635 . . . . 0.32 109.814 178.456 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.63 -25.03 63.74 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 116.163 -0.471 . . . . 0.36 111.217 -178.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.506 ' HA ' HG23 ' A' ' 56' ' ' VAL . 43.9 mt-10 -57.38 -46.92 82.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.511 -0.313 . . . . 0.78 110.736 179.415 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -74.13 -36.32 64.16 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.136 0.493 . . . . 0.96 110.173 178.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.565 ' HG3' HD11 ' A' ' 14' ' ' ILE . 30.0 mmm180 -71.18 -24.8 62.3 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.943 0.72 . . . . 3.85 112.943 -173.572 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -116.43 10.1 14.54 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 112.458 0.54 . . . . 0.4 112.458 -179.082 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 60.22 41.94 15.97 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 123.7 0.625 . . . . 1.95 110.361 179.278 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.506 HG23 ' HA ' ' A' ' 51' ' ' GLU . 31.3 m -127.07 -171.25 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.023 0 CA-C-N 116.002 -0.545 . . . . 1.37 111.003 -177.66 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.459 ' HA ' ' HD2' ' A' ' 57' ' ' LYS . 42.7 tptt -155.79 125.34 6.34 Favored 'General case' 0 N--CA 1.428 -1.567 0 N-CA-C 104.24 -2.504 . . . . 3.34 104.24 173.606 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 60.1 mt -121.17 116.01 31.29 Favored Pre-proline 0 C--N 1.308 -1.203 0 C-N-CA 120.889 -0.324 . . . . 0.57 110.99 -171.394 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.426 ' O ' HG23 ' A' ' 63' ' ' VAL . 26.3 Cg_exo -63.96 135.31 47.19 Favored 'Trans proline' 0 C--O 1.24 0.592 0 C-N-CA 123.245 2.63 . . . . 0.63 111.226 179.202 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -58.57 -33.15 69.61 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 112.884 0.698 . . . . 2.3 112.884 -175.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -65.95 -30.56 71.15 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 116.349 -0.387 . . . . 2.38 110.061 179.648 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.425 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 5.6 t70 -85.05 -30.72 23.88 Favored 'General case' 0 N--CA 1.438 -1.029 0 N-CA-C 109.337 -0.616 . . . . 1.52 109.337 -175.318 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 59' ' ' PRO . 88.3 t -52.93 -60.79 1.01 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.363 0 CA-C-N 114.885 -1.052 . . . . 0.79 109.302 175.263 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -66.71 -7.79 23.39 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 112.809 0.67 . . . . 1.24 112.809 -178.558 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -87.9 -25.7 23.11 Favored 'General case' 0 C--N 1.305 -1.327 0 CA-C-O 120.907 0.384 . . . . 2.07 111.154 -179.497 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.614 HD13 ' HA ' ' A' ' 72' ' ' ALA . 79.7 mt -82.96 176.39 9.31 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 116.158 -0.474 . . . . 0.6 110.699 -176.376 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -135.4 -71.21 0.48 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.196 0.522 . . . . 2.69 111.992 -176.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.697 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 67.4 p -96.62 179.1 5.11 Favored 'General case' 0 N--CA 1.429 -1.48 0 CA-C-N 116.355 -0.384 . . . . 0.46 110.702 -177.29 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.506 HG12 ' CZ ' ' A' ' 32' ' ' PHE . 32.1 m -74.75 -17.81 16.45 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.108 0 N-CA-C 109.571 -0.529 . . . . 0.66 109.571 175.41 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -69.85 -32.69 70.23 Favored Glycine 0 N--CA 1.436 -1.306 0 N-CA-C 110.064 -1.214 . . . . 0.46 110.064 174.652 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -77.89 -37.55 47.76 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.98 -0.748 . . . . 1.62 108.98 177.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.614 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -65.92 -45.97 79.98 Favored 'General case' 0 CA--C 1.507 -0.701 0 CA-C-N 114.855 -1.066 . . . . 0.51 111.336 -176.603 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.659 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 17.3 p -59.0 -39.6 82.34 Favored 'General case' 0 N--CA 1.432 -1.339 0 CA-C-N 115.548 -0.751 . . . . 0.46 112.411 -178.194 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 60.5 tttm -60.65 -33.97 73.59 Favored 'General case' 0 CA--C 1.533 0.298 0 O-C-N 123.622 0.576 . . . . 3.54 110.577 -178.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -77.23 -48.5 17.37 Favored 'General case' 0 C--O 1.241 0.62 0 CA-C-O 121.355 0.598 . . . . 0.83 109.893 176.347 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.408 HG13 ' O ' ' A' ' 72' ' ' ALA . 83.1 mt -57.97 -56.84 13.39 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.95 0 CA-C-N 115.703 -0.68 . . . . 0.65 111.891 -175.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.659 ' HG ' ' O ' ' A' ' 73' ' ' THR . 2.9 pp -62.68 -21.28 65.62 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.666 0.617 . . . . 1.74 112.666 -178.714 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 28.1 t70 . . . . . 0 C--N 1.307 -1.26 0 CA-C-N 115.608 -0.724 . . . . 1.32 110.371 178.336 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . 0.535 ' HB1' ' HB2' ' A' ' 6' ' ' GLU . . . . . . . . 0 N--CA 1.435 -1.199 0 N-CA-C 109.345 -0.613 . . . . 1.12 109.345 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.625 HG22 ' H ' ' A' ' 4' ' ' GLN . 4.7 m -97.37 175.83 6.11 Favored 'General case' 0 C--N 1.307 -1.273 0 CA-C-O 119.009 -0.52 . . . . 1.57 110.014 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.625 ' H ' HG22 ' A' ' 3' ' ' THR . 61.1 tt0 -39.76 -57.64 1.5 Allowed 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 116.003 1.853 . . . . 1.76 116.003 -172.039 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -74.09 -34.25 63.91 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 119.002 -1.079 . . . . 3.05 111.699 -175.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.535 ' HB2' ' HB1' ' A' ' 2' ' ' ALA . 56.4 mm-40 -65.9 -33.75 76.54 Favored 'General case' 0 N--CA 1.457 -0.12 0 N-CA-C 109.112 -0.699 . . . . 2.53 109.112 176.25 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.564 HG12 ' O ' ' A' ' 3' ' ' THR . 32.1 mm -62.46 -54.64 31.36 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.665 0 CA-C-N 115.435 -0.802 . . . . 0.45 109.546 175.509 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 4' ' ' GLN . 42.6 t -55.33 -48.56 76.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 N-CA-C 110.087 -0.338 . . . . 0.57 110.087 179.669 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.425 ' O ' ' HG3' ' A' ' 13' ' ' GLU . . . -60.48 -36.25 77.86 Favored 'General case' 0 C--O 1.22 -0.484 0 CA-C-N 115.912 -0.585 . . . . 0.48 110.828 178.733 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.483 ' HA2' ' OE2' ' A' ' 13' ' ' GLU . . . -66.88 -38.56 93.0 Favored Glycine 0 CA--C 1.505 -0.571 0 N-CA-C 111.216 -0.754 . . . . 0.37 111.216 179.11 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.459 HD12 ' HA ' ' A' ' 8' ' ' VAL . 89.8 mt -60.33 -46.96 88.05 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 108.599 -0.889 . . . . 0.33 108.599 176.052 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.428 ' HB2' ' HB ' ' A' ' 26' ' ' VAL . . . -65.83 -24.96 67.01 Favored 'General case' 0 N--CA 1.439 -1.023 0 CA-C-N 114.966 -1.016 . . . . 0.28 112.156 -179.532 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.483 ' OE2' ' HA2' ' A' ' 10' ' ' GLY . 49.4 mt-10 -57.86 -47.23 83.31 Favored 'General case' 0 CA--C 1.508 -0.641 0 CA-C-O 121.12 0.486 . . . . 2.48 109.764 177.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.888 ' HB ' HG23 ' A' ' 46' ' ' VAL . 3.6 mp -84.72 -36.36 11.37 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.575 0 C-N-CA 119.47 -0.892 . . . . 0.44 110.184 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.524 HG22 HG11 ' A' ' 46' ' ' VAL . 61.0 t -61.43 -23.26 29.99 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.408 0 CA-C-O 122.127 0.965 . . . . 0.34 110.786 178.431 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -66.29 -41.12 90.24 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.716 -0.674 . . . . 0.95 111.652 175.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -82.85 -31.6 27.94 Favored 'General case' 0 C--N 1.309 -1.154 0 C-N-CA 119.947 -0.701 . . . . 2.11 110.836 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.52 HG12 ' O ' ' A' ' 14' ' ' ILE . 50.0 mm -71.34 -53.67 20.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.034 -0.53 . . . . 0.71 110.029 179.134 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -102.91 -60.87 1.48 Allowed 'General case' 0 C--N 1.306 -1.285 0 CA-C-N 115.817 -0.628 . . . . 0.68 110.925 -176.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 132.59 8.4 2.51 Favored Glycine 0 C--N 1.312 -0.771 0 C-N-CA 119.334 -1.412 . . . . 0.93 113.875 -178.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.415 ' HA ' ' HD3' ' A' ' 22' ' ' PRO . 2.3 pp -74.28 148.82 86.49 Favored Pre-proline 0 C--N 1.318 -0.776 0 N-CA-C 112.555 0.576 . . . . 0.6 112.555 179.572 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 21' ' ' ILE . 33.7 Cg_exo -63.28 139.62 72.76 Favored 'Trans proline' 0 C--O 1.247 0.936 0 C-N-CA 122.479 2.12 . . . . 0.75 111.013 176.195 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 26.9 m -72.78 18.09 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 N-CA-C 113.35 0.87 . . . . 1.48 113.35 -178.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -137.24 2.59 2.54 Favored 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 108.803 -0.814 . . . . 2.03 108.803 178.311 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.434 ' O ' ' HE2' ' A' ' 30' ' ' LYS . 33.6 t70 -89.79 -35.99 15.39 Favored 'General case' 0 CA--C 1.502 -0.89 0 CA-C-O 122.115 0.959 . . . . 1.07 108.828 -178.131 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.492 ' HA ' ' HG3' ' A' ' 30' ' ' LYS . 60.3 t -78.99 98.7 2.88 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.489 0 CA-C-N 114.345 -1.298 . . . . 0.73 108.232 177.257 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -111.98 -167.08 1.14 Allowed 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 107.714 -1.217 . . . . 2.83 107.714 174.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.408 HD13 ' HA ' ' A' ' 28' ' ' LEU 0.275 4.2 mm? -59.67 -33.12 71.14 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 117.012 2.227 . . . . 1.07 117.012 -172.514 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -91.8 69.71 5.59 Favored 'General case' 0 C--N 1.302 -1.458 0 CA-C-O 121.991 0.9 . . . . 2.47 111.291 178.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.54 ' HD2' HD21 ' A' ' 36' ' ' LEU . 34.7 mmtm -140.84 136.95 32.9 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-N 114.288 -1.324 . . . . 1.06 110.99 179.538 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.584 ' H ' ' HB3' ' A' ' 35' ' ' ASP . 52.0 p -118.26 157.19 27.49 Favored 'General case' 0 C--N 1.306 -1.307 0 N-CA-C 107.434 -1.321 . . . . 1.31 107.434 171.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.575 ' CZ ' HG12 ' A' ' 69' ' ' VAL . 83.8 m-85 -85.5 30.94 0.6 Allowed 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 113.545 0.943 . . . . 1.03 113.545 -169.495 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.565 ' HA ' ' O ' ' A' ' 38' ' ' VAL . 4.4 t -175.65 -54.68 0.01 OUTLIER 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 116.506 -0.315 . . . . 1.37 111.289 177.52 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -69.54 -47.18 64.59 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 112.148 0.425 . . . . 2.31 112.148 -175.119 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.584 ' HB3' ' H ' ' A' ' 31' ' ' SER . 17.8 t70 -83.34 -40.77 19.02 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.21 0.529 . . . . 1.67 110.314 179.47 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.54 HD21 ' HD2' ' A' ' 30' ' ' LYS . 67.8 mt -82.69 -171.63 3.61 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-N 115.936 -0.575 . . . . 0.69 111.775 -178.641 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -117.45 1.91 12.38 Favored 'General case' 0 C--N 1.31 -1.152 0 CA-C-O 121.957 0.884 . . . . 2.15 109.154 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.565 ' O ' ' HA ' ' A' ' 33' ' ' THR . 7.6 p -89.28 126.25 42.26 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.574 0 N-CA-C 106.794 -1.558 . . . . 2.23 106.794 175.756 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -74.34 164.09 27.01 Favored 'General case' 0 C--N 1.301 -1.507 0 C-N-CA 120.519 -0.473 . . . . 2.96 111.761 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.454 ' O ' HG23 ' A' ' 44' ' ' VAL . 33.8 p -66.88 -43.67 82.9 Favored 'General case' 0 C--N 1.298 -1.647 0 CA-C-N 115.685 -0.689 . . . . 1.19 110.226 -179.706 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.8 mp -61.83 -23.85 66.52 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-O 121.816 0.817 . . . . 1.34 109.638 177.598 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 46.8 t -84.12 -37.95 21.33 Favored 'General case' 0 N--CA 1.429 -1.512 0 CA-C-N 115.056 -0.975 . . . . 1.26 109.733 178.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.438 ' O ' ' HG2' ' A' ' 43' ' ' MET . 35.5 ttp -59.74 -23.24 63.04 Favored 'General case' 0 C--N 1.359 1.011 0 CA-C-O 121.28 0.562 . . . . 0.97 110.457 177.691 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.49 ' HA ' HG12 ' A' ' 47' ' ' VAL . 57.7 t -56.47 -24.06 18.02 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.349 0 C-N-CA 123.101 0.56 . . . . 0.65 111.473 178.477 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 -78.94 -38.07 38.14 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.999 0.428 . . . . 2.06 111.039 177.173 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.888 HG23 ' HB ' ' A' ' 14' ' ' ILE . 3.6 p -84.47 -32.99 8.27 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.792 0 N-CA-C 113.006 0.743 . . . . 1.43 113.006 -178.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.49 HG12 ' HA ' ' A' ' 44' ' ' VAL . 13.9 p -61.41 -40.25 85.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 O-C-N 122.212 -0.305 . . . . 0.53 111.714 -177.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 14.9 p -70.12 -31.77 48.66 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.765 0 CA-C-O 121.473 0.654 . . . . 0.65 110.121 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.69 -17.95 46.15 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.548 -0.751 . . . . 0.32 110.277 -179.342 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.63 -29.97 63.92 Favored 'General case' 0 C--N 1.31 -1.139 0 CA-C-N 116.197 -0.456 . . . . 0.36 110.046 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.511 ' HA ' HG23 ' A' ' 56' ' ' VAL . 42.2 mt-10 -58.57 -49.89 75.79 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 115.93 -0.577 . . . . 0.78 111.023 179.671 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -68.96 -42.96 75.93 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.137 -0.483 . . . . 0.96 111.25 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.74 ' HG3' HD11 ' A' ' 14' ' ' ILE . 27.3 mmt180 -62.58 -39.9 95.17 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 112.852 0.686 . . . . 3.85 112.852 -177.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -101.95 -4.69 25.71 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 113.752 1.019 . . . . 0.4 113.752 -175.077 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 70.64 46.15 0.55 Allowed 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 123.322 0.649 . . . . 1.95 109.779 -178.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.511 HG23 ' HA ' ' A' ' 51' ' ' GLU . 17.3 m -126.06 -174.26 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.507 0.67 . . . . 1.37 112.338 -178.344 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -139.51 123.13 17.38 Favored 'General case' 0 N--CA 1.43 -1.426 0 N-CA-C 105.984 -1.858 . . . . 3.34 105.984 174.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 38.4 mt -129.67 100.36 19.64 Favored Pre-proline 0 C--N 1.304 -1.401 0 N-CA-C 108.82 -0.808 . . . . 0.57 108.82 -177.598 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.548 ' O ' HG23 ' A' ' 63' ' ' VAL . 16.9 Cg_exo -70.84 149.51 60.09 Favored 'Trans proline' 0 C--O 1.235 0.363 0 C-N-CA 123.316 2.677 . . . . 0.63 111.989 178.624 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -53.18 -41.53 65.32 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 124.719 1.207 . . . . 2.3 112.075 -176.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -73.58 -34.26 65.02 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 120.707 0.289 . . . . 2.38 110.958 -178.642 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -71.88 -32.97 67.98 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.848 -0.615 . . . . 1.52 109.461 -175.084 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 59' ' ' PRO . 86.8 t -51.75 -47.15 39.6 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 CA-C-N 115.427 -0.806 . . . . 0.79 110.115 176.039 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -67.78 -5.04 14.35 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 115.443 -0.798 . . . . 1.24 112.422 -176.518 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -94.59 -10.14 32.94 Favored 'General case' 0 C--N 1.317 -0.834 0 O-C-N 121.975 -0.453 . . . . 2.07 110.546 -177.147 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.552 HD13 ' HA ' ' A' ' 72' ' ' ALA . 83.8 mt -101.97 -177.55 3.45 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 108.743 -0.836 . . . . 0.6 108.743 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.4 ' HG2' ' OD1' ' A' ' 71' ' ' ASP . 7.9 ptpp? -146.58 -52.75 0.23 Allowed 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 119.558 -0.857 . . . . 2.69 112.943 -178.067 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 71.6 p -112.74 -176.41 2.9 Favored 'General case' 0 C--O 1.247 0.946 0 O-C-N 121.662 -0.649 . . . . 0.46 109.871 179.285 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.575 HG12 ' CZ ' ' A' ' 32' ' ' PHE . 33.5 m -76.01 -14.03 15.01 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.09 0 N-CA-C 109.392 -0.595 . . . . 0.66 109.392 174.595 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.417 ' O ' ' HG2' ' A' ' 74' ' ' LYS . . . -72.08 -33.13 62.52 Favored Glycine 0 N--CA 1.437 -1.266 0 N-CA-C 110.23 -1.148 . . . . 0.46 110.23 176.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.4 ' OD1' ' HG2' ' A' ' 67' ' ' LYS . 5.0 m-20 -80.21 -40.18 27.65 Favored 'General case' 0 CA--C 1.503 -0.838 0 N-CA-C 108.623 -0.88 . . . . 1.62 108.623 178.236 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.552 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -61.36 -46.84 88.52 Favored 'General case' 0 CA--C 1.501 -0.932 0 CA-C-N 114.557 -1.202 . . . . 0.51 110.615 -176.017 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.582 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 6.5 p -55.04 -45.95 75.27 Favored 'General case' 0 N--CA 1.44 -0.959 0 O-C-N 123.903 0.752 . . . . 0.46 112.061 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.417 ' HG2' ' O ' ' A' ' 70' ' ' GLY . 42.0 mmtm -59.26 -47.96 83.4 Favored 'General case' 0 C--O 1.219 -0.534 0 O-C-N 123.905 0.753 . . . . 3.54 110.417 -179.791 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -65.76 -42.46 90.86 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 123.629 0.581 . . . . 0.83 111.877 -178.093 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.407 HG21 HD12 ' A' ' 7' ' ' ILE . 89.2 mt -62.18 -65.01 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.309 -1.18 0 CA-C-O 119.021 -0.514 . . . . 0.65 111.172 -177.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.582 ' HG ' ' O ' ' A' ' 73' ' ' THR 0.271 1.8 pp -57.27 -21.11 32.2 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 113.194 0.813 . . . . 1.74 113.194 177.677 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.5 t70 . . . . . 0 N--CA 1.473 0.687 0 CA-C-N 115.86 -0.609 . . . . 1.32 110.622 174.395 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.736 0 N-CA-C 108.425 -0.954 . . . . 1.12 108.425 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.547 ' O ' HG12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -93.83 -167.26 1.65 Allowed 'General case' 0 C--N 1.299 -1.617 0 C-N-CA 118.852 -1.139 . . . . 1.57 110.952 -177.682 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.436 ' H ' HG22 ' A' ' 3' ' ' THR . 9.8 tt0 -53.66 -49.87 67.03 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 113.709 1.003 . . . . 1.76 113.709 -169.04 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -61.37 -39.88 92.26 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 123.162 0.289 . . . . 3.05 111.231 -179.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -73.06 -32.27 64.93 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.831 -0.622 . . . . 2.53 110.083 -177.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.547 HG12 ' O ' ' A' ' 3' ' ' THR . 38.1 mm -61.77 -59.1 4.84 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.838 0 N-CA-C 108.293 -1.002 . . . . 0.45 108.293 175.413 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 91.5 t -53.79 -52.89 30.69 Favored 'Isoleucine or valine' 0 C--O 1.242 0.688 0 C-N-CA 123.604 0.762 . . . . 0.57 110.84 179.32 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.49 -39.84 77.31 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 116.097 -0.501 . . . . 0.48 111.143 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.85 -41.54 88.13 Favored Glycine 0 N--CA 1.437 -1.255 0 N-CA-C 110.944 -0.863 . . . . 0.37 110.944 -179.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.516 ' O ' HG23 ' A' ' 15' ' ' VAL . 96.5 mt -56.8 -48.69 77.36 Favored 'General case' 0 CA--C 1.503 -0.858 0 C-N-CA 123.088 0.555 . . . . 0.33 109.584 177.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.33 -27.81 62.55 Favored 'General case' 0 C--O 1.207 -1.141 0 CA-C-N 115.125 -0.943 . . . . 0.28 112.708 -178.088 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -68.0 -38.76 83.01 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 120.99 -0.284 . . . . 2.48 111.542 178.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.543 ' HB ' HG23 ' A' ' 46' ' ' VAL . 3.9 mp -82.55 -27.32 8.61 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.99 0 C-N-CA 119.561 -0.856 . . . . 0.44 109.004 176.309 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 11' ' ' LEU . 47.8 t -69.16 -26.84 32.92 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.014 0 CA-C-O 121.648 0.737 . . . . 0.34 109.334 175.726 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -72.91 -31.67 64.81 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 123.409 0.684 . . . . 0.95 109.696 173.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.4 ' HB3' ' O ' ' A' ' 14' ' ' ILE . 9.7 tp10 -68.49 -38.63 81.16 Favored 'General case' 0 C--N 1.308 -1.205 0 N-CA-C 108.719 -0.845 . . . . 2.11 108.719 178.102 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.437 HG12 ' O ' ' A' ' 14' ' ' ILE . 49.1 mm -83.66 -52.4 12.98 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.923 0 CA-C-N 114.897 -1.047 . . . . 0.71 112.407 -177.362 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.539 ' HB1' ' HB3' ' A' ' 37' ' ' ASP . . . -116.5 -1.98 12.11 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 114.138 1.162 . . . . 0.68 114.138 -172.718 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.02 27.68 73.61 Favored Glycine 0 C--N 1.31 -0.893 0 N-CA-C 115.048 0.779 . . . . 0.93 115.048 177.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.495 HD11 ' HB ' ' A' ' 15' ' ' VAL . 2.3 pp -80.16 151.53 72.87 Favored Pre-proline 0 C--N 1.32 -0.708 0 CA-C-N 117.758 0.779 . . . . 0.6 111.758 178.622 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.429 ' HG2' ' HB2' ' A' ' 25' ' ' ASP . 36.9 Cg_endo -71.11 144.71 47.6 Favored 'Trans proline' 0 N--CA 1.443 -1.483 0 C-N-CA 121.738 1.626 . . . . 0.75 110.232 173.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.1 m -79.98 8.06 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.313 -0.982 0 CA-C-O 121.587 0.708 . . . . 1.48 112.651 -175.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -100.76 -17.22 17.03 Favored 'General case' 0 C--N 1.308 -1.231 0 N-CA-C 108.43 -0.952 . . . . 2.03 108.43 178.153 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.672 ' O ' ' HE3' ' A' ' 30' ' ' LYS . 19.9 t70 -77.06 -44.16 31.71 Favored 'General case' 0 CA--C 1.505 -0.775 0 CA-C-N 115.586 -0.734 . . . . 1.07 109.666 -176.565 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.594 ' HA ' ' HG3' ' A' ' 30' ' ' LYS . 40.6 t -70.48 94.9 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.151 0 CA-C-N 114.82 -1.082 . . . . 0.73 111.336 -177.29 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -107.03 -164.12 0.96 Allowed 'General case' 0 C--N 1.3 -1.577 0 CA-C-N 113.875 -1.511 . . . . 2.83 107.175 171.634 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 77.8 mt -74.92 -31.15 61.46 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 112.525 0.565 . . . . 1.07 112.525 -174.472 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -88.47 61.25 6.04 Favored 'General case' 0 C--N 1.306 -1.309 0 CA-C-O 121.984 0.897 . . . . 2.47 110.395 178.371 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.672 ' HE3' ' O ' ' A' ' 25' ' ' ASP . 65.5 mmtt -137.6 156.55 47.94 Favored 'General case' 0 C--N 1.298 -1.652 0 CA-C-N 114.544 -1.207 . . . . 1.06 107.957 178.63 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.472 ' HB3' HG22 ' A' ' 68' ' ' THR . 13.5 p -141.22 165.82 26.47 Favored 'General case' 0 C--N 1.286 -2.179 0 N-CA-C 107.809 -1.182 . . . . 1.31 107.809 -177.381 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.961 ' HB3' ' HG3' ' A' ' 43' ' ' MET . 97.0 m-85 -88.96 23.19 2.45 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 113.437 0.902 . . . . 1.03 113.437 -169.072 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.6 t -165.75 -53.98 0.03 OUTLIER 'General case' 0 C--N 1.309 -1.193 0 CA-C-N 115.773 -0.649 . . . . 1.37 110.911 173.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -63.41 -49.71 72.7 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 112.533 0.568 . . . . 2.31 112.533 -178.252 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.57 ' HB3' ' HD3' ' A' ' 30' ' ' LYS . 12.3 m-20 -97.83 2.39 49.3 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 113.688 0.995 . . . . 1.67 113.688 -179.084 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.42 HD13 HG11 ' A' ' 15' ' ' VAL . 68.3 mt -124.94 168.81 12.78 Favored 'General case' 0 C--N 1.309 -1.177 0 N-CA-C 112.935 0.717 . . . . 0.69 112.935 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.539 ' HB3' ' HB1' ' A' ' 19' ' ' ALA . 12.9 t70 -82.81 -13.48 56.15 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-N 114.659 -1.155 . . . . 2.15 109.131 -176.434 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.2 m -75.89 126.79 36.99 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.204 0 CA-C-N 115.105 -0.952 . . . . 2.23 110.977 -178.516 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -73.54 156.24 38.34 Favored 'General case' 0 C--N 1.283 -2.323 0 N-CA-C 106.237 -1.764 . . . . 2.96 106.237 171.544 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 78.0 p -64.42 -48.81 73.98 Favored 'General case' 0 C--N 1.295 -1.766 0 C-N-CA 120.948 -0.301 . . . . 1.19 110.964 -174.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.3 mp -62.3 -23.23 66.62 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-O 121.152 0.501 . . . . 1.34 111.124 179.111 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.3 m -81.48 -33.79 31.73 Favored 'General case' 0 N--CA 1.439 -1.017 0 C-N-CA 123.356 0.662 . . . . 1.26 110.279 178.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.961 ' HG3' ' HB3' ' A' ' 32' ' ' PHE . 13.6 tmm? -61.28 -26.34 67.71 Favored 'General case' 0 C--O 1.223 -0.339 0 C-N-CA 123.604 0.762 . . . . 0.97 110.412 -179.718 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.459 ' HA ' HG12 ' A' ' 47' ' ' VAL . 23.9 t -56.63 -23.58 17.53 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.41 0 CA-C-N 116.241 -0.436 . . . . 0.65 111.269 178.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -82.57 -28.17 31.1 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 122.096 -0.377 . . . . 2.06 111.644 177.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.543 HG23 ' HB ' ' A' ' 14' ' ' ILE . 7.1 p -83.85 -36.34 12.14 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 C-N-CA 120.257 -0.577 . . . . 1.43 110.978 178.775 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.459 HG12 ' HA ' ' A' ' 44' ' ' VAL . 11.8 p -62.03 -42.32 94.45 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.791 0 C-N-CA 120.89 -0.324 . . . . 0.53 111.657 -179.59 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 13.0 p -69.51 -28.92 39.77 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.817 0 CA-C-O 121.298 0.57 . . . . 0.65 110.707 -179.397 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.405 ' HB3' HG21 ' A' ' 14' ' ' ILE . . . -80.57 -29.77 37.01 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.298 0.57 . . . . 0.32 110.462 -179.337 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.91 -30.43 71.42 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 116.063 -0.517 . . . . 0.36 111.563 -179.346 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -55.47 -55.94 25.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.674 0.273 . . . . 0.78 111.311 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.513 ' HG3' ' N ' ' A' ' 53' ' ' ARG . 5.0 pt-20 -67.06 -37.24 83.68 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.952 0.406 . . . . 0.96 111.23 -178.309 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.547 ' HA ' ' CZ ' ' A' ' 53' ' ' ARG . 3.0 mmp_? -72.82 -32.78 65.77 Favored 'General case' 0 N--CA 1.443 -0.791 0 N-CA-C 112.642 0.608 . . . . 3.85 112.642 -172.638 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -102.74 4.82 38.43 Favored 'General case' 0 C--N 1.308 -1.219 0 N-CA-C 112.113 0.412 . . . . 0.4 112.113 -179.7 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 38.7 t70 63.2 33.31 14.41 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-O 122.954 1.359 . . . . 1.95 109.879 176.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.59 HG11 HG23 ' A' ' 76' ' ' ILE . 7.6 p -126.96 177.68 5.33 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.116 0 CA-C-N 114.559 -1.201 . . . . 1.37 109.801 -172.746 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.465 ' H ' HG22 ' A' ' 56' ' ' VAL . 50.8 mtpt -121.77 141.5 51.14 Favored 'General case' 0 C--N 1.305 -1.365 0 N-CA-C 108.254 -1.017 . . . . 3.34 108.254 174.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 45.9 mt -133.09 88.39 36.64 Favored Pre-proline 0 C--N 1.288 -2.08 0 N-CA-C 108.414 -0.958 . . . . 0.57 108.414 176.394 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.528 ' O ' HG23 ' A' ' 63' ' ' VAL . 29.3 Cg_exo -65.25 151.34 85.69 Favored 'Trans proline' 0 C--O 1.238 0.509 0 C-N-CA 123.419 2.746 . . . . 0.63 111.471 179.756 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -50.88 -42.99 59.49 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.381 1.072 . . . . 2.3 111.92 -177.05 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -66.02 -41.68 90.67 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.086 -0.506 . . . . 2.38 110.596 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.526 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 11.4 m-20 -69.46 -29.72 67.47 Favored 'General case' 0 CA--C 1.499 -1.018 0 CA-C-N 116.016 -0.538 . . . . 1.52 112.258 -179.745 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 59' ' ' PRO . 80.6 t -58.65 -60.61 2.09 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.909 0 N-CA-C 108.339 -0.985 . . . . 0.79 108.339 174.785 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -62.18 -13.75 30.6 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.4 1.08 . . . . 1.24 112.46 -176.173 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 12.3 t30 -85.66 -14.17 46.36 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-O 121.627 0.727 . . . . 2.07 110.972 179.016 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.526 ' HG ' ' O ' ' A' ' 62' ' ' ASP . 67.4 mt -96.24 -174.61 3.12 Favored 'General case' 0 C--N 1.317 -0.848 0 N-CA-C 108.979 -0.749 . . . . 0.6 108.979 -178.755 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.415 ' HG2' ' OD2' ' A' ' 71' ' ' ASP . 4.2 ptpp? -163.61 -54.02 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.622 0.248 . . . . 2.69 111.175 179.18 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.472 HG22 ' HB3' ' A' ' 31' ' ' SER . 52.5 p -104.4 -178.61 3.71 Favored 'General case' 0 N--CA 1.427 -1.583 0 N-CA-C 108.484 -0.932 . . . . 0.46 108.484 176.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.5 HG12 ' CZ ' ' A' ' 32' ' ' PHE . 25.4 m -79.49 -13.69 13.32 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.145 0 C-N-CA 120.227 -0.589 . . . . 0.66 109.416 176.003 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -74.73 -19.2 80.0 Favored Glycine 0 C--O 1.215 -1.038 0 N-CA-C 110.405 -1.078 . . . . 0.46 110.405 176.438 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.415 ' OD2' ' HG2' ' A' ' 67' ' ' LYS . 3.0 m-20 -83.44 -47.02 11.83 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 108.569 -0.9 . . . . 1.62 108.569 175.107 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.516 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -62.87 -49.52 74.52 Favored 'General case' 0 CA--C 1.506 -0.714 0 CA-C-N 113.957 -1.474 . . . . 0.51 112.045 -173.433 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.685 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 2.1 p -48.56 -56.0 9.57 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.238 0.961 . . . . 0.46 112.631 -177.001 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 62.9 mmtt -54.58 -39.76 68.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.393 1.058 . . . . 3.54 111.262 -174.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 82.9 t80 -75.07 -47.13 30.32 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.255 -0.43 . . . . 0.83 110.404 -179.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.59 HG23 HG11 ' A' ' 56' ' ' VAL . 91.2 mt -58.95 -63.39 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.621 -0.718 . . . . 0.65 110.841 -178.708 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.685 ' HG ' ' O ' ' A' ' 73' ' ' THR . 2.7 pp -58.77 -22.44 58.06 Favored 'General case' 0 C--O 1.236 0.379 0 N-CA-C 113.646 0.98 . . . . 1.74 113.646 -173.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 38.5 t70 . . . . . 0 C--N 1.306 -1.311 0 CA-C-N 116.041 -0.527 . . . . 1.32 111.396 -177.253 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.502 -0.902 0 N-CA-C 107.849 -1.167 . . . . 1.12 107.849 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.459 ' O ' HG12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -102.15 -170.5 1.82 Allowed 'General case' 0 C--N 1.3 -1.547 0 C-N-CA 119.974 -0.691 . . . . 1.57 109.527 178.706 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.559 ' HG3' HD22 ' A' ' 77' ' ' LEU . 55.5 mt-30 -62.02 -38.13 87.5 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 113.01 0.744 . . . . 1.76 113.01 -172.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -62.74 -50.75 69.85 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.772 0.32 . . . . 3.05 110.396 177.39 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -66.65 -36.16 81.89 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 115.828 -0.623 . . . . 2.53 110.601 -179.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.459 HG12 ' O ' ' A' ' 3' ' ' THR . 25.9 mm -64.42 -51.83 63.08 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.882 0 N-CA-C 109.046 -0.724 . . . . 0.45 109.046 179.316 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.537 ' HA ' HD12 ' A' ' 11' ' ' LEU . 89.9 t -63.41 -35.5 72.61 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.771 0 CA-C-N 116.238 -0.437 . . . . 0.57 111.22 179.345 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.43 -42.44 96.06 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-O 121.081 0.467 . . . . 0.48 110.034 176.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.27 -40.81 92.13 Favored Glycine 0 N--CA 1.435 -1.421 0 N-CA-C 110.728 -0.949 . . . . 0.37 110.728 179.183 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.537 HD12 ' HA ' ' A' ' 8' ' ' VAL . 92.5 mt -56.09 -52.68 63.44 Favored 'General case' 0 CA--C 1.51 -0.59 0 C-N-CA 122.931 0.493 . . . . 0.33 110.644 177.446 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.44 ' HB2' ' HB ' ' A' ' 26' ' ' VAL . . . -59.8 -29.99 68.61 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.509 -0.769 . . . . 0.28 112.711 -177.402 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -63.11 -44.9 94.37 Favored 'General case' 0 N--CA 1.421 -1.882 0 CA-C-O 120.825 0.345 . . . . 2.48 110.499 178.481 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.644 HG21 ' HB3' ' A' ' 49' ' ' ALA . 3.1 mp -79.14 -29.27 13.8 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.492 0 C-N-CA 118.796 -1.162 . . . . 0.44 109.925 178.465 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 11' ' ' LEU . 40.7 t -65.61 -27.78 42.46 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 CA-C-O 121.688 0.756 . . . . 0.34 109.728 177.038 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -70.62 -40.39 73.17 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 115.896 -0.593 . . . . 0.95 110.23 174.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -69.66 -44.55 70.31 Favored 'General case' 0 C--N 1.303 -1.428 0 CA-C-N 115.769 -0.65 . . . . 2.11 109.852 -179.639 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.543 HG13 ' HB ' ' A' ' 46' ' ' VAL . 41.6 mm -73.49 -53.67 17.44 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-N 115.939 -0.573 . . . . 0.71 112.039 -177.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.806 ' HB2' HG23 ' A' ' 38' ' ' VAL . . . -108.5 -48.53 3.31 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-O 121.066 0.46 . . . . 0.68 111.766 -174.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 106.19 62.25 0.61 Allowed Glycine 0 C--N 1.302 -1.317 0 C-N-CA 119.633 -1.27 . . . . 0.93 113.209 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.415 HG13 HG12 ' A' ' 15' ' ' VAL . 2.1 pp -104.94 158.46 31.99 Favored Pre-proline 0 C--N 1.301 -1.523 0 N-CA-C 109.163 -0.68 . . . . 0.6 109.163 173.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.415 ' C ' ' H ' ' A' ' 24' ' ' GLU . 24.0 Cg_exo -66.24 142.42 66.78 Favored 'Trans proline' 0 N--CA 1.445 -1.326 0 C-N-CA 121.612 1.541 . . . . 0.75 108.689 173.161 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.7 p -84.64 32.26 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.304 -1.411 0 CA-C-O 123.134 1.445 . . . . 1.48 110.26 -176.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.415 ' H ' ' C ' ' A' ' 22' ' ' PRO . 11.8 pt-20 -138.88 10.21 2.62 Favored 'General case' 0 C--N 1.302 -1.477 0 CA-C-N 113.86 -1.518 . . . . 2.03 108.079 178.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -100.52 -38.44 8.38 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.25 -0.886 . . . . 1.07 110.928 -178.213 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.446 HG22 HD22 ' A' ' 36' ' ' LEU . 20.1 t -82.39 91.98 2.4 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.396 0 CA-C-N 115.003 -0.999 . . . . 0.73 110.685 -173.455 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.552 ' H ' ' HG3' ' A' ' 30' ' ' LYS . 96.2 mttt -103.0 -178.27 3.61 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 108.184 -1.043 . . . . 2.83 108.184 173.549 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.443 HD11 ' HB3' ' A' ' 4' ' ' GLN . 4.6 mm? -65.02 -28.1 69.27 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 114.376 1.25 . . . . 1.07 114.376 -175.735 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -88.39 15.96 7.07 Favored 'General case' 0 N--CA 1.486 1.328 0 N-CA-C 112.147 0.425 . . . . 2.47 112.147 -178.6 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.552 ' HG3' ' H ' ' A' ' 27' ' ' LYS . 28.5 mmmt -100.76 134.57 43.53 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 108.899 -0.778 . . . . 1.06 108.899 179.727 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.613 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 0.7 OUTLIER -109.65 151.09 27.32 Favored 'General case' 0 C--N 1.291 -1.956 0 N-CA-C 107.246 -1.391 . . . . 1.31 107.246 176.03 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.539 ' HA ' HD12 ' A' ' 36' ' ' LEU . 98.5 m-85 -54.88 -48.0 73.53 Favored 'General case' 0 C--N 1.311 -1.066 0 N-CA-C 114.557 1.317 . . . . 1.03 114.557 -172.029 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.0 t -121.77 23.1 10.28 Favored 'General case' 0 C--N 1.297 -1.702 0 C-N-CA 118.448 -1.301 . . . . 1.37 110.577 -178.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.573 ' HB2' ' HB2' ' A' ' 31' ' ' SER . 10.2 m-20 -115.2 -36.41 4.38 Favored 'General case' 0 C--N 1.307 -1.276 0 N-CA-C 108.856 -0.794 . . . . 2.31 108.856 176.258 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -123.28 -27.61 4.11 Favored 'General case' 0 CA--C 1.494 -1.185 0 CA-C-N 115.643 -0.708 . . . . 1.67 110.891 -176.41 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.539 HD12 ' HA ' ' A' ' 32' ' ' PHE . 71.3 mt -88.34 147.96 24.51 Favored 'General case' 0 N--CA 1.429 -1.524 0 CA-C-O 121.436 0.636 . . . . 0.69 112.069 -176.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -96.75 70.69 2.54 Favored 'General case' 0 C--N 1.284 -2.254 0 CA-C-O 123.08 1.419 . . . . 2.15 110.354 -178.106 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.806 HG23 ' HB2' ' A' ' 19' ' ' ALA . 12.9 p -127.67 171.4 16.01 Favored 'Isoleucine or valine' 0 C--N 1.267 -3.018 0 N-CA-C 105.041 -2.207 . . . . 2.23 105.041 173.118 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -69.91 -84.62 0.03 OUTLIER 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 109.003 -0.74 . . . . 2.96 109.003 172.668 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 68.1 p 156.89 -47.73 0.0 OUTLIER 'General case' 0 C--O 1.212 -0.873 0 C-N-CA 127.089 2.155 . . . . 1.19 108.386 173.319 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.4 mp -69.33 -25.68 64.33 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 107.234 -1.395 . . . . 1.34 107.234 177.401 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 34.0 t -81.56 -14.89 56.29 Favored 'General case' 0 CA--C 1.562 1.406 0 CA-C-N 113.959 -1.473 . . . . 1.26 110.819 175.051 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.421 ' HA ' HG12 ' A' ' 46' ' ' VAL . 7.8 tmm? -73.06 -23.01 60.51 Favored 'General case' 0 N--CA 1.484 1.234 0 N-CA-C 108.004 -1.11 . . . . 0.97 108.004 -179.395 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.493 ' HA ' HG12 ' A' ' 47' ' ' VAL . 27.7 t -61.77 -22.7 29.05 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.718 0 CA-C-O 121.671 0.748 . . . . 0.65 109.904 176.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -76.85 -30.73 56.43 Favored 'General case' 0 CA--C 1.555 1.15 0 CA-C-N 115.595 -0.73 . . . . 2.06 110.575 176.49 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.553 HG23 ' CG2' ' A' ' 14' ' ' ILE . 7.2 p -81.27 -40.11 17.94 Favored 'Isoleucine or valine' 0 C--N 1.343 0.32 0 O-C-N 121.903 -0.498 . . . . 1.43 111.255 179.422 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.493 HG12 ' HA ' ' A' ' 44' ' ' VAL . 10.2 p -60.76 -37.33 75.85 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.98 0 C-N-CA 120.579 -0.449 . . . . 0.53 112.024 -179.59 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 13.4 p -70.55 -26.59 28.9 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.748 0 CA-C-O 121.458 0.647 . . . . 0.65 110.71 179.256 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.644 ' HB3' HG21 ' A' ' 14' ' ' ILE . . . -82.82 -26.22 31.93 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.522 0.677 . . . . 0.32 109.356 177.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.78 -34.24 77.4 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 115.888 -0.596 . . . . 0.36 110.806 178.17 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -52.95 -56.91 12.46 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.134 -0.484 . . . . 0.78 111.837 179.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.551 ' HG3' ' N ' ' A' ' 53' ' ' ARG . 5.4 pt-20 -62.42 -38.7 90.73 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 121.003 0.43 . . . . 0.96 111.43 -179.766 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.552 ' HG3' HD11 ' A' ' 14' ' ' ILE . 4.2 mmp_? -70.19 -41.12 74.14 Favored 'General case' 0 N--CA 1.441 -0.879 0 CA-C-N 116.003 -0.544 . . . . 3.85 112.303 -172.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -94.14 2.86 55.91 Favored 'General case' 0 CA--C 1.5 -0.952 0 C-N-CA 120.488 -0.485 . . . . 0.4 111.728 -178.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 33.4 t70 65.51 33.81 8.41 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-O 122.311 1.053 . . . . 1.95 109.975 175.251 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 16.8 m -114.93 -172.78 0.58 Allowed 'Isoleucine or valine' 0 C--O 1.242 0.687 0 CA-C-N 115.005 -0.998 . . . . 1.37 111.488 -178.286 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 32.3 mtmm -138.53 129.37 26.63 Favored 'General case' 0 C--N 1.315 -0.928 0 N-CA-C 105.294 -2.113 . . . . 3.34 105.294 176.523 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.487 HG12 ' HE2' ' A' ' 75' ' ' TYR . 23.8 mt -131.42 109.64 14.89 Favored Pre-proline 0 C--N 1.304 -1.41 0 N-CA-C 109.529 -0.545 . . . . 0.57 109.529 -179.079 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.561 ' O ' HG23 ' A' ' 63' ' ' VAL . 20.8 Cg_exo -65.83 141.22 64.38 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 123.328 2.685 . . . . 0.63 111.216 -179.192 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -48.6 -46.56 39.61 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 124.277 1.031 . . . . 2.3 112.365 -176.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -69.31 -35.3 75.83 Favored 'General case' 0 CA--C 1.494 -1.187 0 CA-C-N 115.75 -0.659 . . . . 2.38 111.314 -177.511 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -80.32 -26.22 38.89 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-N 116.085 -0.507 . . . . 1.52 110.053 -175.585 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 59' ' ' PRO . 79.1 t -55.63 -62.53 0.78 Allowed 'Isoleucine or valine' 0 C--O 1.213 -0.838 0 N-CA-C 107.734 -1.209 . . . . 0.79 107.734 171.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -65.51 -2.81 3.66 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.872 -1.058 . . . . 1.24 113.534 -174.596 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -86.98 -19.24 29.02 Favored 'General case' 0 C--N 1.31 -1.133 0 N-CA-C 109.611 -0.514 . . . . 2.07 109.611 178.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.651 HD13 ' HA ' ' A' ' 72' ' ' ALA . 80.5 mt -83.05 179.55 7.72 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.814 -0.63 . . . . 0.6 110.602 -178.055 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.491 ' HG3' HG23 ' A' ' 68' ' ' THR . 14.3 ptmm? -148.83 -53.49 0.18 Allowed 'General case' 0 CA--C 1.555 1.139 0 N-CA-C 113.492 0.923 . . . . 2.69 113.492 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.613 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 58.1 p -101.56 175.8 5.44 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 121.506 -0.746 . . . . 0.46 109.242 -178.359 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 25.0 m -77.39 -22.65 14.32 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.767 0 C-N-CA 119.186 -1.005 . . . . 0.66 108.949 174.202 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -70.64 -43.19 60.92 Favored Glycine 0 N--CA 1.444 -0.77 0 N-CA-C 109.957 -1.257 . . . . 0.46 109.957 177.122 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.438 ' OD2' ' HA ' ' A' ' 66' ' ' LEU . 30.9 t70 -67.0 -29.63 69.51 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.678 0.752 . . . . 1.62 109.519 179.013 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.651 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -77.12 -43.33 34.5 Favored 'General case' 0 N--CA 1.441 -0.918 0 CA-C-N 115.096 -0.956 . . . . 0.51 110.412 179.033 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 37.0 p -60.66 -27.99 68.24 Favored 'General case' 0 N--CA 1.441 -0.917 0 N-CA-C 112.73 0.641 . . . . 0.46 112.73 179.279 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -62.12 -50.23 72.74 Favored 'General case' 0 C--O 1.216 -0.684 0 O-C-N 123.668 0.605 . . . . 3.54 109.496 177.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.487 ' HE2' HG12 ' A' ' 58' ' ' ILE . 84.2 t80 -54.97 -44.29 74.27 Favored 'General case' 0 C--O 1.246 0.912 0 CA-C-O 121.329 0.585 . . . . 0.83 111.016 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 62.5 mt -71.84 -66.65 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.46 0 CA-C-N 114.804 -1.089 . . . . 0.65 109.639 -177.173 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.559 HD22 ' HG3' ' A' ' 4' ' ' GLN . 50.1 tp -53.3 -34.12 56.06 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.933 1.293 . . . . 1.74 113.502 -175.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 17.9 t70 . . . . . 0 C--N 1.315 -0.919 0 CA-C-O 120.935 0.398 . . . . 1.32 111.771 -179.336 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.097 0 CA-C-O 120.551 0.215 . . . . 2.17 110.504 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.55 ' HB3' HD13 ' A' ' 7' ' ' ILE . . . -152.79 155.82 37.88 Favored 'General case' 0 N--CA 1.445 -0.695 0 N-CA-C 108.135 -1.061 . . . . 1.12 108.135 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.631 ' O ' HG12 ' A' ' 7' ' ' ILE . 1.0 OUTLIER -93.85 -168.98 1.99 Allowed 'General case' 0 C--O 1.206 -1.185 0 N-CA-C 108.748 -0.834 . . . . 1.57 108.748 177.707 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.456 ' H ' HG22 ' A' ' 3' ' ' THR . 13.1 pt20 -58.46 -43.15 88.78 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 119.665 1.12 . . . . 1.76 113.801 -170.444 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.448 ' HG2' ' HG3' ' A' ' 6' ' ' GLU . 2.9 pm0 -74.51 -35.13 63.19 Favored 'General case' 0 N--CA 1.439 -1.005 0 CA-C-O 121.728 0.775 . . . . 3.05 109.422 -178.101 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.528 ' CB ' ' HB1' ' A' ' 2' ' ' ALA . 41.4 mt-10 -74.72 -32.34 62.11 Favored 'General case' 0 N--CA 1.431 -1.404 0 CA-C-N 114.743 -1.117 . . . . 2.53 110.593 -176.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.631 HG12 ' O ' ' A' ' 3' ' ' THR . 42.8 mm -61.16 -54.8 30.3 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.523 0 N-CA-C 107.21 -1.404 . . . . 0.45 107.21 174.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.553 ' HA ' HD12 ' A' ' 11' ' ' LEU . 88.2 t -53.88 -48.78 62.21 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 CA-C-N 115.199 -0.91 . . . . 0.57 110.562 178.373 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.95 -42.68 85.47 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.227 -0.442 . . . . 0.48 111.4 177.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.83 -41.41 95.61 Favored Glycine 0 C--O 1.222 -0.62 0 N-CA-C 110.875 -0.89 . . . . 0.37 110.875 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.553 HD12 ' HA ' ' A' ' 8' ' ' VAL . 94.4 mt -56.46 -48.85 76.21 Favored 'General case' 0 C--O 1.239 0.512 0 C-N-CA 123.279 0.631 . . . . 0.33 110.296 177.318 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.1 -28.17 68.9 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.248 -0.887 . . . . 0.28 113.227 -176.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -59.06 -45.53 90.54 Favored 'General case' 0 C--O 1.237 0.411 0 N-CA-C 109.63 -0.507 . . . . 2.48 109.63 177.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.592 HG21 ' HA ' ' A' ' 46' ' ' VAL . 3.6 mp -75.01 -42.27 45.66 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.279 0 CA-C-N 115.862 -0.608 . . . . 0.44 109.839 179.185 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.655 HG11 HD13 ' A' ' 36' ' ' LEU . 21.6 t -62.53 -27.02 42.02 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.198 0 CA-C-O 121.979 0.895 . . . . 0.34 111.234 -178.706 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.423 ' HA ' ' H ' ' A' ' 21' ' ' ILE . 21.8 t-20 -69.72 -39.53 76.78 Favored 'General case' 0 C--N 1.32 -0.702 0 O-C-N 121.748 -0.595 . . . . 0.95 111.196 176.585 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -80.71 -26.95 37.13 Favored 'General case' 0 C--N 1.315 -0.915 0 C-N-CA 119.657 -0.817 . . . . 2.11 111.509 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.408 HG12 ' O ' ' A' ' 14' ' ' ILE . 47.3 mm -81.15 -55.18 8.64 Favored 'Isoleucine or valine' 0 C--O 1.244 0.767 0 C-N-CA 120.62 -0.432 . . . . 0.71 110.92 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.495 ' HB1' ' HB3' ' A' ' 37' ' ' ASP . . . -104.27 -53.88 2.64 Favored 'General case' 0 C--N 1.303 -1.45 0 CA-C-O 121.036 0.446 . . . . 0.68 111.203 -177.525 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 114.17 71.96 0.55 Allowed Glycine 0 N--CA 1.434 -1.478 0 C-N-CA 119.744 -1.217 . . . . 0.93 111.964 -178.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.423 ' H ' ' HA ' ' A' ' 16' ' ' ASN . 2.2 pp -113.89 151.03 44.4 Favored Pre-proline 0 C--N 1.294 -1.837 0 N-CA-C 109.725 -0.472 . . . . 0.6 109.725 176.449 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.419 ' C ' ' H ' ' A' ' 24' ' ' GLU . 17.4 Cg_exo -67.06 132.26 27.52 Favored 'Trans proline' 0 N--CA 1.449 -1.134 0 C-N-CA 121.782 1.655 . . . . 0.75 110.05 176.61 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.6 m -80.47 28.33 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.31 -1.115 0 CA-C-O 122.439 1.114 . . . . 1.48 112.876 -178.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.419 ' H ' ' C ' ' A' ' 22' ' ' PRO . 11.8 pt-20 -131.78 -3.95 3.65 Favored 'General case' 0 C--N 1.297 -1.705 0 CA-C-N 113.789 -1.551 . . . . 2.03 107.728 176.596 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.671 ' O ' ' HE3' ' A' ' 30' ' ' LYS . 18.2 t70 -94.11 -48.54 6.17 Favored 'General case' 0 CA--C 1.493 -1.215 0 CA-C-N 115.007 -0.997 . . . . 1.07 109.624 -174.301 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.484 ' HA ' ' HG3' ' A' ' 30' ' ' LYS . 35.0 t -71.04 94.91 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.076 0 CA-C-N 114.49 -1.232 . . . . 0.73 109.779 -177.106 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -113.62 -164.85 0.95 Allowed 'General case' 0 C--N 1.3 -1.548 0 CA-C-N 114.442 -1.253 . . . . 2.83 107.688 177.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.475 HD13 HG21 ' A' ' 8' ' ' VAL . 4.0 mm? -68.64 -33.33 73.83 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 113.087 0.773 . . . . 1.07 113.087 -177.539 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -88.35 63.92 7.33 Favored 'General case' 0 C--O 1.247 0.93 0 CA-C-O 122.718 1.247 . . . . 2.47 110.64 179.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.671 ' HE3' ' O ' ' A' ' 25' ' ' ASP . 67.2 mmtt -142.34 164.97 28.7 Favored 'General case' 0 C--N 1.309 -1.153 0 CA-C-N 113.938 -1.483 . . . . 1.06 109.775 -178.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.523 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 41.0 t -144.92 161.76 38.53 Favored 'General case' 0 C--N 1.296 -1.746 0 N-CA-C 105.304 -2.11 . . . . 1.31 105.304 175.208 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.421 ' CZ ' ' H6 ' ' A' ' 101' ' ' SXO . 80.0 m-85 -81.54 -66.35 0.9 Allowed 'General case' 0 CA--C 1.49 -1.334 0 CA-C-O 121.331 0.586 . . . . 1.03 111.066 -168.158 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 27.9 p -92.45 36.1 1.01 Allowed 'General case' 0 C--N 1.268 -2.935 0 C-N-CA 119.369 -0.933 . . . . 1.37 112.175 -177.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.521 ' HB2' ' HB3' ' A' ' 31' ' ' SER . 6.8 m-20 -140.89 -50.89 0.45 Allowed 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.437 -0.801 . . . . 2.31 109.162 -179.319 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -110.32 6.06 22.12 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.874 -0.603 . . . . 1.67 110.91 -173.365 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.655 HD13 HG11 ' A' ' 15' ' ' VAL . 64.4 mt -112.42 -166.26 1.06 Allowed 'General case' 0 CA--C 1.504 -0.79 0 N-CA-C 108.494 -0.928 . . . . 0.69 108.494 177.737 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.495 ' HB3' ' HB1' ' A' ' 19' ' ' ALA . 19.4 t70 -74.84 -8.02 55.19 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.48 0.657 . . . . 2.15 110.393 -178.373 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 57.8 t 65.82 75.92 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.448 -0.569 0 CA-C-O 122.929 1.347 . . . . 2.23 110.876 177.267 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.75 -30.32 70.71 Favored 'General case' 0 C--N 1.303 -1.441 0 CA-C-N 113.204 -1.817 . . . . 2.96 109.256 178.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.55 ' OG ' HD22 ' A' ' 41' ' ' LEU . 28.8 t 56.13 -102.61 0.16 Allowed 'General case' 0 N--CA 1.44 -0.96 0 C-N-CA 125.543 1.537 . . . . 1.19 112.081 -178.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.55 HD22 ' OG ' ' A' ' 40' ' ' SER . 3.1 mm? -72.68 -29.15 63.17 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-O 121.748 0.785 . . . . 1.34 110.037 -177.605 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 25.6 m -73.85 -13.02 60.86 Favored 'General case' 0 C--N 1.306 -1.312 0 CA-C-N 115.302 -0.863 . . . . 1.26 111.027 179.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.4 ' O ' ' HB ' ' A' ' 46' ' ' VAL . 20.2 ttp -67.81 -21.47 65.22 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-O 121.262 0.553 . . . . 0.97 109.554 179.529 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.53 ' HA ' HG12 ' A' ' 47' ' ' VAL . 41.7 t -65.84 -26.04 37.71 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.78 0 N-CA-C 109.387 -0.598 . . . . 0.65 109.387 176.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -76.12 -26.56 56.49 Favored 'General case' 0 N--CA 1.463 0.177 0 N-CA-C 108.739 -0.838 . . . . 2.06 108.739 177.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.592 ' HA ' HG21 ' A' ' 14' ' ' ILE . 76.0 t -71.26 -60.95 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 115.106 -0.952 . . . . 1.43 108.765 177.118 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.587 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 10.1 p -55.29 -43.27 70.39 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 N-CA-C 113.08 0.77 . . . . 0.53 113.08 -176.494 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 14.8 p -61.5 -34.46 61.62 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.845 0 CA-C-O 121.463 0.649 . . . . 0.65 111.012 -178.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.665 ' O ' ' HG2' ' A' ' 53' ' ' ARG . . . -78.02 -33.36 51.19 Favored 'General case' 0 N--CA 1.439 -0.994 0 N-CA-C 109.634 -0.506 . . . . 0.32 109.634 178.364 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.83 -33.74 75.37 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 116.013 -0.54 . . . . 0.36 111.841 -178.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.587 ' HG3' ' O ' ' A' ' 47' ' ' VAL . 41.5 mt-10 -53.89 -53.56 50.88 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 123.48 0.487 . . . . 0.78 110.558 178.492 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.574 ' HG3' ' HE ' ' A' ' 53' ' ' ARG . 12.8 pt-20 -69.83 -32.28 70.6 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 116.272 -0.422 . . . . 0.96 111.412 -178.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.665 ' HG2' ' O ' ' A' ' 49' ' ' ALA . 6.7 mmp_? -63.75 -44.39 93.66 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.874 0.369 . . . . 3.85 111.079 -178.165 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -101.77 8.93 41.26 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 112.683 0.623 . . . . 0.4 112.683 -174.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 65.24 36.65 6.93 Favored 'General case' 0 N--CA 1.478 0.928 0 O-C-N 123.608 0.567 . . . . 1.95 111.803 177.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.517 HG23 ' HA ' ' A' ' 51' ' ' GLU . 21.4 m -119.89 -176.96 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.253 0 CA-C-N 116.194 -0.457 . . . . 1.37 110.553 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.445 ' HA ' ' HD2' ' A' ' 57' ' ' LYS . 23.5 tptp -149.66 105.79 3.48 Favored 'General case' 0 C--N 1.294 -1.805 0 N-CA-C 106.168 -1.79 . . . . 3.34 106.168 175.127 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 61.9 mt -104.9 110.65 64.76 Favored Pre-proline 0 C--N 1.286 -2.194 0 N-CA-C 109.926 -0.398 . . . . 0.57 109.926 -171.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.507 ' O ' HG23 ' A' ' 63' ' ' VAL . 35.5 Cg_exo -63.16 148.5 93.12 Favored 'Trans proline' 0 C--O 1.242 0.681 0 C-N-CA 122.791 2.327 . . . . 0.63 111.049 178.053 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -55.77 -31.42 62.58 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 124.775 1.23 . . . . 2.3 110.059 -177.047 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -61.96 -57.1 12.98 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 114.254 -1.339 . . . . 2.38 109.865 178.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.49 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 8.1 m-20 -62.2 -32.9 73.6 Favored 'General case' 0 CA--C 1.495 -1.156 0 CA-C-N 115.635 -0.711 . . . . 1.52 112.702 -177.155 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 59' ' ' PRO . 34.6 t -54.7 -51.2 53.71 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.714 0 O-C-N 123.603 0.564 . . . . 0.79 110.085 179.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 35.9 mtmm -82.08 -6.41 59.14 Favored 'General case' 0 C--N 1.322 -0.628 0 O-C-N 122.137 -0.352 . . . . 1.24 111.819 -178.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -94.44 -7.42 41.51 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.962 0.411 . . . . 2.07 111.026 179.104 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.69 ' HB2' ' H4 ' ' A' ' 101' ' ' SXO . 98.4 mt -96.96 163.45 12.95 Favored 'General case' 0 C--N 1.308 -1.236 0 N-CA-C 108.276 -1.009 . . . . 0.6 108.276 176.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.2 pttp -122.69 -83.2 0.66 Allowed 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 114.755 1.391 . . . . 2.69 114.755 -176.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.482 HG22 ' HB2' ' A' ' 31' ' ' SER . 77.3 p -88.01 -177.0 5.65 Favored 'General case' 0 C--N 1.304 -1.407 0 C-N-CA 120.415 -0.514 . . . . 0.46 110.132 -175.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.6 m -81.87 -20.43 10.5 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.065 0 N-CA-C 109.015 -0.735 . . . . 0.66 109.015 176.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -79.21 -25.48 59.38 Favored Glycine 0 N--CA 1.44 -1.092 0 N-CA-C 109.375 -1.49 . . . . 0.46 109.375 176.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -83.11 -43.19 16.52 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 114.715 -0.742 . . . . 1.62 110.709 176.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.566 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -65.64 -37.65 87.15 Favored 'General case' 0 CA--C 1.503 -0.85 0 CA-C-N 115.836 -0.62 . . . . 0.51 111.173 -176.538 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.647 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 2.9 p -57.22 -34.16 68.27 Favored 'General case' 0 N--CA 1.432 -1.372 0 CA-C-N 115.735 -0.666 . . . . 0.46 112.277 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 49.4 tptt -53.56 -46.46 70.27 Favored 'General case' 0 C--O 1.224 -0.281 0 O-C-N 123.792 0.683 . . . . 3.54 111.342 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -72.5 -43.72 63.24 Favored 'General case' 0 C--N 1.309 -1.195 0 CA-C-O 121.108 0.48 . . . . 0.83 110.375 -178.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.473 ' O ' ' HG2' ' A' ' 80' ' ' GLN . 70.7 mt -65.23 -65.33 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 CA-C-N 115.278 -0.874 . . . . 0.65 111.715 -175.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.647 ' HG ' ' O ' ' A' ' 73' ' ' THR . 4.2 pp -59.95 -22.08 62.01 Favored 'General case' 0 CA--C 1.516 -0.346 0 N-CA-C 113.071 0.767 . . . . 1.74 113.071 -173.594 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -84.64 -33.77 23.2 Favored 'General case' 0 C--N 1.308 -1.229 0 CA-C-N 116.133 -0.485 . . . . 1.32 111.628 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 23.0 t-80 -86.85 -26.49 24.0 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 120.329 -0.549 . . . . 2.89 110.942 -173.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.473 ' HG2' ' O ' ' A' ' 76' ' ' ILE . 2.0 pt20 -71.99 177.4 4.35 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 122.125 0.964 . . . . 2.23 112.57 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.41 -2.425 0 N-CA-C 105.751 -1.944 . . . . 3.38 105.751 174.674 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' SXO . . . . . 0.69 ' H4 ' ' HB2' ' A' ' 66' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.514 -0.408 0 N-CA-C 108.043 -1.095 . . . . 2.17 108.043 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.512 ' HB3' HD13 ' A' ' 7' ' ' ILE . . . -158.03 160.74 37.76 Favored 'General case' 0 C--N 1.312 -1.048 0 N-CA-C 107.585 -1.265 . . . . 1.12 107.585 -178.469 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.461 HG22 ' H ' ' A' ' 4' ' ' GLN . 7.6 m -90.21 168.72 11.72 Favored 'General case' 0 C--N 1.289 -2.063 0 C-N-CA 119.667 -0.813 . . . . 1.57 109.417 178.754 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.472 ' HG2' HD21 ' A' ' 28' ' ' LEU . 29.9 tt0 -44.26 -50.05 9.07 Favored 'General case' 0 CA--C 1.551 1.002 0 N-CA-C 115.944 1.831 . . . . 1.76 115.944 -169.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -64.0 -48.38 76.6 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 109.255 -0.646 . . . . 3.05 109.255 179.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -64.95 -30.23 71.21 Favored 'General case' 0 C--O 1.222 -0.347 0 CA-C-N 115.932 -0.577 . . . . 2.53 111.47 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.512 HD13 ' HB3' ' A' ' 2' ' ' ALA . 31.5 mm -59.5 -53.32 49.83 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 N-CA-C 108.733 -0.84 . . . . 0.45 108.733 175.199 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.57 HG21 HD22 ' A' ' 28' ' ' LEU . 80.0 t -59.89 -47.1 92.83 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 CA-C-N 116.373 -0.376 . . . . 0.57 110.138 178.675 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.98 -41.37 74.69 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.967 -0.56 . . . . 0.48 111.142 178.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.27 -46.19 80.9 Favored Glycine 0 N--CA 1.435 -1.368 0 N-CA-C 110.39 -1.084 . . . . 0.37 110.39 178.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.532 HD12 ' HA ' ' A' ' 8' ' ' VAL . 94.3 mt -54.13 -48.51 70.71 Favored 'General case' 0 CA--C 1.514 -0.426 0 C-N-CA 123.725 0.81 . . . . 0.33 110.27 177.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.407 ' HA ' ' HB ' ' A' ' 15' ' ' VAL . . . -58.61 -27.92 65.12 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.119 -0.946 . . . . 0.28 113.416 -177.44 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -68.25 -44.32 75.91 Favored 'General case' 0 C--O 1.245 0.826 0 C-N-CA 119.645 -0.822 . . . . 2.48 110.546 178.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.727 ' HB ' HG23 ' A' ' 46' ' ' VAL . 3.6 mp -75.86 -33.19 25.09 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.885 0 N-CA-C 108.347 -0.983 . . . . 0.44 108.347 178.56 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.529 HG12 HG13 ' A' ' 21' ' ' ILE . 96.3 t -65.78 -28.95 45.45 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.201 0 CA-C-O 121.504 0.668 . . . . 0.34 110.763 177.005 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.402 ' O ' ' HA2' ' A' ' 20' ' ' GLY . 26.2 t-20 -72.1 -33.28 67.73 Favored 'General case' 0 C--O 1.212 -0.921 0 CA-C-O 121.209 0.528 . . . . 0.95 109.86 174.242 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -70.31 -51.23 31.79 Favored 'General case' 0 C--N 1.307 -1.24 0 N-CA-C 109.434 -0.58 . . . . 2.11 109.434 177.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.587 HG13 ' HB ' ' A' ' 46' ' ' VAL . 49.7 mm -70.35 -53.67 21.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.616 -0.72 . . . . 0.71 111.829 -177.254 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -102.89 -50.91 3.4 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-O 120.972 0.415 . . . . 0.68 111.245 -174.566 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.402 ' HA2' ' O ' ' A' ' 16' ' ' ASN . . . 107.12 41.54 1.65 Allowed Glycine 0 C--N 1.308 -1.009 0 C-N-CA 119.818 -1.182 . . . . 0.93 113.277 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.529 HG13 HG12 ' A' ' 15' ' ' VAL . 2.2 pp -91.2 158.67 40.94 Favored Pre-proline 0 C--N 1.308 -1.224 0 O-C-N 122.673 -0.31 . . . . 0.6 111.446 178.653 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -69.26 124.77 11.63 Favored 'Trans proline' 0 N--CA 1.446 -1.323 0 C-N-CA 121.938 1.759 . . . . 0.75 109.282 173.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 10.6 p -54.25 -30.5 20.82 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.076 0 C-N-CA 124.042 0.937 . . . . 1.48 112.343 -178.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -88.96 -4.74 58.35 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 111.951 0.352 . . . . 2.03 111.951 -178.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -84.94 -46.29 11.39 Favored 'General case' 0 CA--C 1.502 -0.879 0 C-N-CA 120.426 -0.51 . . . . 1.07 109.676 -178.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 1.094 ' HB ' HD21 ' A' ' 36' ' ' LEU . 1.9 p -80.45 101.54 5.58 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.581 0 CA-C-O 122.138 0.97 . . . . 0.73 111.127 178.27 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 64.7 mttm -118.0 -165.43 1.1 Allowed 'General case' 0 C--N 1.294 -1.819 0 CA-C-N 113.86 -1.518 . . . . 2.83 107.725 175.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.57 HD22 HG21 ' A' ' 8' ' ' VAL . 4.0 mm? -55.74 -26.43 45.48 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 115.06 1.504 . . . . 1.07 115.06 -178.074 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -93.16 64.23 3.78 Favored 'General case' 0 C--N 1.31 -1.151 0 C-N-CA 120.536 -0.466 . . . . 2.47 110.233 178.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.75 ' HG3' ' HA ' ' A' ' 26' ' ' VAL . 35.0 mmtm -144.46 160.68 40.68 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.118 -0.946 . . . . 1.06 111.885 178.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.472 ' H ' ' HB3' ' A' ' 35' ' ' ASP . 30.3 t -140.59 149.94 42.99 Favored 'General case' 0 C--N 1.285 -2.235 0 N-CA-C 104.334 -2.469 . . . . 1.31 104.334 172.3 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.536 ' CE1' ' H5 ' ' A' ' 101' ' ' SXO . 97.5 m-85 -66.98 -46.34 74.88 Favored 'General case' 0 C--N 1.297 -1.684 0 N-CA-C 114.02 1.118 . . . . 1.03 114.02 -165.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.873 HG21 ' HB3' ' A' ' 40' ' ' SER . 10.1 t -120.12 18.98 12.32 Favored 'General case' 0 C--N 1.278 -2.535 0 C-N-CA 118.861 -1.136 . . . . 1.37 110.456 -179.56 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -121.26 -43.28 2.43 Favored 'General case' 0 C--N 1.3 -1.553 0 CA-C-N 115.22 -0.9 . . . . 2.31 111.56 -179.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.472 ' HB3' ' H ' ' A' ' 31' ' ' SER . 3.9 t70 -104.67 -23.55 13.07 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 108.094 -1.076 . . . . 1.67 108.094 179.168 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 1.094 HD21 ' HB ' ' A' ' 26' ' ' VAL . 39.2 mt -97.7 179.63 4.76 Favored 'General case' 0 CA--C 1.51 -0.586 0 CA-C-N 115.433 -0.803 . . . . 0.69 110.247 178.448 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -108.37 23.21 14.86 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-O 121.622 0.725 . . . . 2.15 110.033 -177.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.45 HG23 ' HB3' ' A' ' 36' ' ' LEU . 23.4 t -88.49 128.84 40.47 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.718 0 N-CA-C 107.441 -1.318 . . . . 2.23 107.441 -179.296 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.467 ' HB2' ' HB2' ' A' ' 42' ' ' SER . 37.4 m-20 -69.94 144.41 52.39 Favored 'General case' 0 C--N 1.293 -1.855 0 N-CA-C 108.079 -1.082 . . . . 2.96 108.079 175.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.873 ' HB3' HG21 ' A' ' 33' ' ' THR . 46.8 p -67.58 -39.02 84.87 Favored 'General case' 0 C--N 1.295 -1.761 0 CA-C-O 121.438 0.637 . . . . 1.19 111.538 -177.219 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.7 mp -71.17 -15.78 62.5 Favored 'General case' 0 C--N 1.307 -1.279 0 CA-C-O 121.595 0.712 . . . . 1.34 109.854 177.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.467 ' HB2' ' HB2' ' A' ' 39' ' ' ASP . 47.4 t -85.28 -39.35 17.83 Favored 'General case' 0 CA--C 1.554 1.121 0 C-N-CA 124.456 1.102 . . . . 1.26 111.439 179.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.422 ' HB3' ' O40' ' A' ' 101' ' ' SXO . 30.2 ttp -57.89 -22.84 50.4 Favored 'General case' 0 N--CA 1.496 1.834 0 CA-C-O 121.173 0.511 . . . . 0.97 111.955 -176.406 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 61.9 t -51.41 -36.27 17.33 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.693 0 C-N-CA 123.866 0.866 . . . . 0.65 111.331 179.181 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -72.52 -42.46 64.77 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.879 0.371 . . . . 2.06 111.596 178.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.727 HG23 ' HB ' ' A' ' 14' ' ' ILE . 5.2 p -74.11 -31.15 28.92 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.523 0 O-C-N 121.807 -0.558 . . . . 1.43 112.275 -178.381 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 13.4 p -67.87 -33.3 60.66 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.695 0 C-N-CA 119.995 -0.682 . . . . 0.53 111.831 -179.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 14.1 p -77.47 -25.19 14.88 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.655 0 CA-C-O 121.63 0.728 . . . . 0.65 110.188 178.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.35 -19.07 36.8 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.317 0.579 . . . . 0.32 110.567 178.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.12 -25.68 55.62 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 116.059 -0.519 . . . . 0.36 111.426 -179.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -60.05 -58.55 8.07 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.158 -0.474 . . . . 0.78 110.42 -179.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.416 ' HG3' ' N ' ' A' ' 53' ' ' ARG . 9.4 pt-20 -63.22 -33.37 75.35 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 121.8 0.809 . . . . 0.96 110.861 -179.709 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.416 ' N ' ' HG3' ' A' ' 52' ' ' GLU . 10.0 tpt180 -66.16 -43.72 86.17 Favored 'General case' 0 N--CA 1.435 -1.177 0 CA-C-N 114.911 -1.04 . . . . 3.85 111.479 -175.613 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -103.39 7.94 38.08 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 112.689 0.626 . . . . 0.4 112.689 -176.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 64.99 33.5 9.69 Favored 'General case' 0 N--CA 1.486 1.357 0 O-C-N 123.965 0.791 . . . . 1.95 110.558 178.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.72 HG22 ' H ' ' A' ' 57' ' ' LYS . 9.1 p -122.09 -169.88 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.295 -1.791 0 N-CA-C 108.581 -0.896 . . . . 1.37 108.581 -175.704 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.72 ' H ' HG22 ' A' ' 56' ' ' VAL . 25.6 tptp -150.94 129.61 12.3 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 104.396 -2.446 . . . . 3.34 104.396 176.54 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.469 HD13 ' H8A' ' A' ' 101' ' ' SXO . 39.0 mt -126.76 102.51 25.32 Favored Pre-proline 0 C--N 1.307 -1.273 0 CA-C-N 118.198 0.453 . . . . 0.57 110.265 -172.212 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.468 ' O ' HG23 ' A' ' 63' ' ' VAL . 19.9 Cg_exo -65.8 144.48 77.57 Favored 'Trans proline' 0 C--O 1.237 0.464 0 C-N-CA 122.894 2.396 . . . . 0.63 111.672 -179.363 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.433 ' O ' ' HB ' ' A' ' 63' ' ' VAL . 17.6 t70 -56.72 -39.44 73.93 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.326 0.65 . . . . 2.3 112.646 -176.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -63.5 -36.66 84.5 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 120.736 -0.386 . . . . 2.38 110.893 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.564 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 3.6 m-20 -74.34 -30.64 62.12 Favored 'General case' 0 C--O 1.215 -0.722 0 CA-C-N 116.521 -0.309 . . . . 1.52 110.61 177.476 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 59' ' ' PRO . 94.2 t -58.82 -58.06 8.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 108.235 -1.024 . . . . 0.79 108.235 173.487 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -61.22 -22.08 64.45 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 115.925 -0.58 . . . . 1.24 111.505 178.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.488 ' HB3' ' HA ' ' A' ' 62' ' ' ASP . 24.4 t-20 -79.91 -23.68 41.63 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 115.874 -0.603 . . . . 2.07 112.275 -179.777 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.564 ' HG ' ' O ' ' A' ' 62' ' ' ASP . 89.5 mt -85.52 -176.87 6.27 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.803 -0.443 . . . . 0.6 109.803 -179.156 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -145.86 -52.77 0.26 Allowed 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 113.051 0.759 . . . . 2.69 113.051 -179.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.495 ' HB ' ' O ' ' A' ' 30' ' ' LYS . 61.0 p -112.0 -171.82 1.92 Allowed 'General case' 0 C--N 1.319 -0.733 0 O-C-N 121.165 -0.959 . . . . 0.46 110.279 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.418 HG12 ' CZ ' ' A' ' 32' ' ' PHE . 23.7 m -81.4 -13.83 12.56 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.766 0 N-CA-C 109.29 -0.633 . . . . 0.66 109.29 176.042 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -74.77 -28.9 62.06 Favored Glycine 0 N--CA 1.441 -1.011 0 N-CA-C 109.29 -1.524 . . . . 0.46 109.29 175.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.472 ' HB3' HD22 ' A' ' 66' ' ' LEU . 9.4 m-20 -79.9 -37.0 35.63 Favored 'General case' 0 C--N 1.312 -1.024 0 N-CA-C 109.197 -0.668 . . . . 1.62 109.197 177.072 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.494 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -63.91 -53.5 49.4 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 114.817 -1.083 . . . . 0.51 110.084 -178.727 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.479 ' HA ' HG21 ' A' ' 7' ' ' ILE . 8.6 p -52.55 -47.04 67.03 Favored 'General case' 0 N--CA 1.449 -0.518 0 O-C-N 123.969 0.793 . . . . 0.46 111.802 -179.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -54.74 -54.04 47.18 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 124.101 0.876 . . . . 3.54 110.466 179.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -62.9 -45.5 92.23 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 123.523 0.514 . . . . 0.83 110.841 -176.177 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.434 HG23 HG11 ' A' ' 56' ' ' VAL . 91.9 mt -61.78 -60.89 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.039 0 CA-C-N 115.725 -0.671 . . . . 0.65 110.121 -179.683 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 60.9 tp -56.87 -31.4 64.78 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 123.839 0.855 . . . . 1.74 112.228 -177.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -76.89 -40.86 45.92 Favored 'General case' 0 C--N 1.307 -1.257 0 CA-C-O 121.039 0.447 . . . . 1.32 111.656 -179.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 37.3 m-70 -94.32 4.45 53.85 Favored 'General case' 0 C--N 1.314 -0.96 0 N-CA-C 113.389 0.885 . . . . 2.89 113.389 -173.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -104.24 165.02 11.32 Favored 'General case' 0 C--N 1.308 -1.204 0 CA-C-O 120.86 0.362 . . . . 2.23 111.076 -179.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.31 -1.146 0 N-CA-C 106.87 -1.53 . . . . 3.38 106.87 176.271 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' SXO . . . . . 0.536 ' H5 ' ' CE1' ' A' ' 32' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.503 -0.833 0 N-CA-C 109.748 -0.464 . . . . 2.17 109.748 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.556 ' HB1' ' HB2' ' A' ' 6' ' ' GLU . . . -102.77 154.91 18.71 Favored 'General case' 0 C--N 1.294 -1.819 0 N-CA-C 107.681 -1.229 . . . . 1.12 107.681 177.788 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.464 ' O ' HG12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -92.29 179.68 5.48 Favored 'General case' 0 C--N 1.297 -1.688 0 C-N-CA 118.531 -1.267 . . . . 1.57 109.929 -178.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.411 ' H ' HG22 ' A' ' 3' ' ' THR . 32.3 tt0 -46.01 -47.81 16.77 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.37 1.068 . . . . 1.76 112.991 -174.725 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.459 ' H ' ' CD ' ' A' ' 5' ' ' GLU . 1.3 mp0 -59.84 -53.24 60.18 Favored 'General case' 0 C--N 1.307 -1.254 0 C-N-CA 123.503 0.721 . . . . 3.05 110.131 -177.508 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.556 ' HB2' ' HB1' ' A' ' 2' ' ' ALA . 15.2 mm-40 -67.75 -30.83 70.39 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.341 -0.845 . . . . 2.53 110.888 -179.497 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.464 HG12 ' O ' ' A' ' 3' ' ' THR . 30.3 mm -65.36 -48.45 83.15 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.103 0 CA-C-N 116.074 -0.512 . . . . 0.45 109.641 177.434 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.563 ' HA ' HD12 ' A' ' 11' ' ' LEU . 82.5 t -58.42 -39.7 75.63 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 CA-C-O 120.822 0.344 . . . . 0.57 110.429 177.4 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.86 -37.12 75.79 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 115.962 -0.563 . . . . 0.48 110.564 176.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -75.9 -40.11 31.55 Favored Glycine 0 C--O 1.216 -1.003 0 N-CA-C 111.254 -0.739 . . . . 0.37 111.254 177.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.563 HD12 ' HA ' ' A' ' 8' ' ' VAL . 99.2 mt -55.43 -44.23 76.11 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.25 0.62 . . . . 0.33 110.634 179.142 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.3 -20.23 66.31 Favored 'General case' 0 N--CA 1.433 -1.275 0 CA-C-N 115.366 -0.834 . . . . 0.28 112.875 -178.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -62.74 -53.88 47.6 Favored 'General case' 0 CA--C 1.5 -0.959 0 N-CA-C 108.439 -0.949 . . . . 2.48 108.439 177.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.649 HG21 ' HA ' ' A' ' 46' ' ' VAL . 2.9 mp -69.51 -40.49 79.77 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.059 0 CA-C-N 115.506 -0.77 . . . . 0.44 109.105 -177.145 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.606 HG13 HG21 ' A' ' 38' ' ' VAL . 61.1 t -63.06 -36.13 74.59 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.336 0 C-N-CA 120.552 -0.459 . . . . 0.34 111.371 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.448 ' HA ' ' H ' ' A' ' 21' ' ' ILE . 24.7 t-20 -72.42 -39.13 68.12 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 122.046 -0.409 . . . . 0.95 110.309 175.458 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -63.08 -45.68 90.99 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.741 -0.663 . . . . 2.11 110.255 179.067 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 35.6 mm -80.59 -54.27 10.91 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.93 0 CA-C-N 115.726 -0.67 . . . . 0.71 112.672 -176.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -105.14 -35.94 7.43 Favored 'General case' 0 C--N 1.304 -1.371 0 C-N-CA 120.198 -0.601 . . . . 0.68 112.33 -172.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.74 65.46 1.05 Allowed Glycine 0 C--N 1.306 -1.138 0 C-N-CA 119.991 -1.1 . . . . 0.93 112.573 178.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.544 HG12 HG12 ' A' ' 15' ' ' VAL . 2.5 pp -104.08 159.11 30.38 Favored Pre-proline 0 C--N 1.305 -1.348 0 CA-C-N 115.682 -0.259 . . . . 0.6 110.619 178.48 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_exo -72.5 133.58 20.91 Favored 'Trans proline' 0 N--CA 1.446 -1.316 0 C-N-CA 121.746 1.631 . . . . 0.75 108.415 171.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 10.6 p -66.34 -21.63 28.96 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.149 0 CA-C-O 121.458 0.647 . . . . 1.48 112.248 -174.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.461 ' O ' ' HE2' ' A' ' 27' ' ' LYS . 0.8 OUTLIER -93.19 -4.44 52.06 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-N 116.136 -0.484 . . . . 2.03 111.266 179.13 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -82.8 -33.98 27.12 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-O 121.488 0.661 . . . . 1.07 109.218 -179.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 40.0 t -76.98 90.48 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 114.894 -1.048 . . . . 0.73 110.444 -178.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.461 ' HE2' ' O ' ' A' ' 24' ' ' GLU . 74.7 mmtt -113.08 179.89 3.83 Favored 'General case' 0 C--N 1.303 -1.425 0 CA-C-N 114.662 -1.154 . . . . 2.83 108.24 175.788 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.554 HD12 ' HA2' ' A' ' 70' ' ' GLY . 3.7 mm? -67.58 -17.07 64.5 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 115.483 1.66 . . . . 1.07 115.483 -172.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -91.08 13.6 16.42 Favored 'General case' 0 C--N 1.311 -1.1 0 CA-C-O 121.069 0.461 . . . . 2.47 111.414 178.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 29.5 mmmt -103.55 143.23 33.02 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 116.115 -0.493 . . . . 1.06 109.733 179.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.523 ' OG ' ' HB3' ' A' ' 34' ' ' ASP . 11.5 p -114.1 156.73 23.64 Favored 'General case' 0 C--N 1.286 -2.155 0 N-CA-C 107.122 -1.436 . . . . 1.31 107.122 172.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.643 ' HA ' HD12 ' A' ' 36' ' ' LEU . 96.3 m-85 -70.45 -36.23 73.82 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 114.206 1.187 . . . . 1.03 114.206 -168.169 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.588 HG21 ' HB3' ' A' ' 40' ' ' SER . 10.6 t -122.51 11.26 9.89 Favored 'General case' 0 N--CA 1.422 -1.844 0 C-N-CA 119.47 -0.892 . . . . 1.37 111.913 -176.295 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.523 ' HB3' ' OG ' ' A' ' 31' ' ' SER . 36.2 t70 -117.46 -50.52 2.54 Favored 'General case' 0 C--N 1.305 -1.357 0 C-N-CA 119.215 -0.994 . . . . 2.31 111.455 177.249 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.416 ' HB2' ' H ' ' A' ' 31' ' ' SER . 28.7 m-20 -90.14 -21.14 22.38 Favored 'General case' 0 CA--C 1.493 -1.215 0 C-N-CA 120.388 -0.525 . . . . 1.67 110.502 178.167 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.643 HD12 ' HA ' ' A' ' 32' ' ' PHE . 92.8 mt -99.06 171.51 7.99 Favored 'General case' 0 N--CA 1.428 -1.544 0 N-CA-C 109.15 -0.685 . . . . 0.69 109.15 178.38 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -99.33 12.13 37.13 Favored 'General case' 0 C--N 1.309 -1.157 0 CA-C-O 122.758 1.266 . . . . 2.15 109.299 -176.045 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.606 HG21 HG13 ' A' ' 15' ' ' VAL . 23.2 t -85.14 113.93 24.43 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.972 0 CA-C-N 114.266 -1.334 . . . . 2.23 108.797 -176.516 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.418 ' O ' ' HB2' ' A' ' 42' ' ' SER . 22.1 m-20 -62.01 144.17 55.53 Favored 'General case' 0 C--N 1.306 -1.305 0 N-CA-C 107.824 -1.176 . . . . 2.96 107.824 174.155 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.588 ' HB3' HG21 ' A' ' 33' ' ' THR . 26.4 p -62.79 -40.15 96.45 Favored 'General case' 0 C--N 1.285 -2.226 0 N-CA-C 112.633 0.605 . . . . 1.19 112.633 -175.421 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.0 mp -65.54 -19.95 66.13 Favored 'General case' 0 CA--C 1.552 1.035 0 CA-C-O 121.812 0.815 . . . . 1.34 110.17 177.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.418 ' HB2' ' O ' ' A' ' 39' ' ' ASP . 50.9 m -83.95 -32.1 25.23 Favored 'General case' 0 N--CA 1.439 -0.975 0 CA-C-N 115.607 -0.724 . . . . 1.26 110.465 176.746 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.457 ' CE ' ' H5 ' ' A' ' 101' ' ' SXO . 15.7 ttp -65.86 -21.25 66.45 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.374 0.607 . . . . 0.97 109.784 178.062 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.454 ' HA ' HG12 ' A' ' 47' ' ' VAL . 31.1 t -59.99 -23.51 27.18 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.233 0 CA-C-N 116.094 -0.503 . . . . 0.65 110.346 175.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 -80.19 -22.93 41.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.865 0.84 . . . . 2.06 109.321 176.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.649 ' HA ' HG21 ' A' ' 14' ' ' ILE . 98.2 t -80.62 -50.66 16.9 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.964 0 CA-C-N 114.842 -1.072 . . . . 1.43 109.658 -177.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.454 HG12 ' HA ' ' A' ' 44' ' ' VAL . 3.8 p -49.65 -50.16 18.17 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 N-CA-C 113.734 1.013 . . . . 0.53 113.734 -178.233 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -56.78 -51.11 71.38 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.309 0 N-CA-C 108.226 -1.028 . . . . 0.65 108.226 -179.436 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.474 ' O ' ' HG3' ' A' ' 53' ' ' ARG . . . -63.94 -29.45 70.62 Favored 'General case' 0 N--CA 1.423 -1.821 0 CA-C-N 113.623 -1.626 . . . . 0.32 111.426 -176.476 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.7 -39.53 66.92 Favored 'General case' 0 C--N 1.308 -1.235 0 CA-C-N 116.156 -0.474 . . . . 0.36 111.298 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -54.67 -48.19 72.67 Favored 'General case' 0 C--O 1.223 -0.292 0 O-C-N 123.348 0.405 . . . . 0.78 110.299 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -69.82 -43.84 71.17 Favored 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 112.555 0.576 . . . . 0.96 112.555 -178.437 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.474 ' HG3' ' O ' ' A' ' 49' ' ' ALA . 89.3 mtt180 -67.29 -37.99 84.3 Favored 'General case' 0 N--CA 1.462 0.165 0 C-N-CA 120.556 -0.458 . . . . 3.85 112.04 -176.102 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -95.24 0.56 54.05 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 112.191 0.441 . . . . 0.4 112.191 -177.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 61.32 36.92 17.42 Favored 'General case' 0 N--CA 1.486 1.357 0 CA-C-O 121.635 0.731 . . . . 1.95 110.729 -179.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.681 HG22 ' H ' ' A' ' 57' ' ' LYS . 8.7 p -122.49 -171.85 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.452 0 CA-C-N 115.583 -0.735 . . . . 1.37 109.487 -175.002 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.681 ' H ' HG22 ' A' ' 56' ' ' VAL . 68.5 mttm -138.18 131.31 30.15 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 106.141 -1.8 . . . . 3.34 106.141 175.769 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.585 HD13 ' H8A' ' A' ' 101' ' ' SXO . 52.7 mt -133.89 88.61 31.97 Favored Pre-proline 0 C--N 1.298 -1.664 0 N-CA-C 108.263 -1.014 . . . . 0.57 108.263 -178.728 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.414 ' O ' HG23 ' A' ' 63' ' ' VAL . 26.6 Cg_exo -65.43 143.47 76.21 Favored 'Trans proline' 0 N--CA 1.453 -0.866 0 C-N-CA 122.961 2.441 . . . . 0.63 112.137 -178.693 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -58.24 -24.27 58.71 Favored 'General case' 0 C--N 1.317 -0.814 0 C-N-CA 124.242 1.017 . . . . 2.3 113.36 -177.117 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -74.63 -41.48 60.32 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 108.825 -0.806 . . . . 2.38 108.825 177.003 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.495 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 22.8 m-20 -68.79 -33.46 73.91 Favored 'General case' 0 CA--C 1.498 -1.027 0 CA-C-N 115.929 -0.578 . . . . 1.52 110.642 177.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 59' ' ' PRO . 52.7 t -52.89 -54.48 16.33 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.525 0 O-C-N 124.06 0.85 . . . . 0.79 109.9 173.601 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 39.3 mtmm -67.04 -11.85 58.25 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 112.833 0.679 . . . . 1.24 112.833 -177.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -91.94 -20.29 21.55 Favored 'General case' 0 C--N 1.307 -1.254 0 CA-C-O 121.282 0.563 . . . . 2.07 109.685 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.564 HD13 ' HA ' ' A' ' 72' ' ' ALA . 89.0 mt -88.07 166.03 14.72 Favored 'General case' 0 N--CA 1.44 -0.97 0 N-CA-C 109.245 -0.65 . . . . 0.6 109.245 -178.424 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.4 ptpp? -137.43 -56.26 0.7 Allowed 'General case' 0 C--N 1.311 -1.107 0 N-CA-C 113.924 1.083 . . . . 2.69 113.924 -176.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.482 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 68.9 p -105.82 -179.87 4.07 Favored 'General case' 0 C--N 1.309 -1.174 0 O-C-N 121.435 -0.791 . . . . 0.46 109.974 -179.099 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.415 HG12 ' CZ ' ' A' ' 32' ' ' PHE . 19.6 m -77.24 -22.75 14.48 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.948 0 N-CA-C 109.444 -0.576 . . . . 0.66 109.444 176.399 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.554 ' HA2' HD12 ' A' ' 28' ' ' LEU . . . -76.17 -36.61 39.72 Favored Glycine 0 CA--C 1.496 -1.129 0 N-CA-C 109.793 -1.323 . . . . 0.46 109.793 177.543 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.438 ' OD2' ' HA ' ' A' ' 66' ' ' LEU . 21.5 t0 -72.82 -34.49 66.88 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-N 114.835 -0.683 . . . . 1.62 110.278 177.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.564 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -76.01 -37.93 57.88 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.912 -0.585 . . . . 0.51 111.856 -177.695 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.433 ' HA ' HD12 ' A' ' 76' ' ' ILE . 6.0 p -63.58 -24.55 67.85 Favored 'General case' 0 N--CA 1.44 -0.934 0 N-CA-C 113.808 1.04 . . . . 0.46 113.808 -177.371 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -69.98 -39.14 76.12 Favored 'General case' 0 C--O 1.211 -0.948 0 N-CA-C 110.121 -0.325 . . . . 3.54 110.121 178.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 78.4 t80 -68.08 -34.71 76.94 Favored 'General case' 0 C--O 1.25 1.121 0 CA-C-O 121.931 0.872 . . . . 0.83 109.943 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.433 HD12 ' HA ' ' A' ' 73' ' ' THR . 82.2 mt -68.3 -57.44 9.13 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.231 0 CA-C-N 114.977 -1.011 . . . . 0.65 108.855 177.678 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.515 ' HA ' ' CG ' ' A' ' 80' ' ' GLN . 51.7 tp -59.47 -24.42 63.55 Favored 'General case' 0 C--N 1.345 0.406 0 C-N-CA 123.739 0.816 . . . . 1.74 111.504 -178.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -60.14 -36.77 78.27 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 115.212 -0.904 . . . . 1.32 111.142 176.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.464 ' HB2' HG23 ' A' ' 56' ' ' VAL . 76.6 m80 -102.23 -62.56 1.25 Allowed 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 120.511 -0.475 . . . . 2.89 111.207 -175.164 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.515 ' CG ' ' HA ' ' A' ' 77' ' ' LEU . 9.7 mm-40 46.24 -174.45 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 116.262 1.949 . . . . 2.23 116.262 -179.709 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.431 -1.379 0 CA-C-N 114.398 -1.274 . . . . 3.38 107.658 175.262 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' SXO . . . . . 0.585 ' H8A' HD13 ' A' ' 58' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.508 -0.65 0 N-CA-C 108.988 -0.745 . . . . 2.17 108.988 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -104.89 140.93 37.41 Favored 'General case' 0 CA--C 1.489 -1.401 0 CA-C-O 121.553 0.692 . . . . 1.12 110.01 179.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.526 ' O ' HG12 ' A' ' 7' ' ' ILE . 25.0 p -105.12 -174.96 2.66 Favored 'General case' 0 N--CA 1.409 -2.476 0 CA-C-N 114.859 -1.064 . . . . 1.57 112.03 -178.325 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -46.46 -46.42 18.86 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 115.598 1.703 . . . . 1.76 115.598 -171.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -74.91 -25.55 59.0 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-O 121.649 0.738 . . . . 3.05 110.624 -174.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -83.82 -36.79 23.24 Favored 'General case' 0 C--N 1.299 -1.623 0 N-CA-C 108.532 -0.914 . . . . 2.53 108.532 178.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.526 HG12 ' O ' ' A' ' 3' ' ' THR . 35.8 mm -65.73 -59.6 3.82 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.98 0 CA-C-N 114.513 -1.222 . . . . 0.45 111.156 -179.304 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 89.2 t -55.16 -48.0 76.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 O-C-N 122.992 0.182 . . . . 0.57 110.739 -177.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.468 ' O ' ' HG2' ' A' ' 13' ' ' GLU . . . -55.13 -45.6 75.6 Favored 'General case' 0 C--O 1.22 -0.474 0 O-C-N 123.52 0.512 . . . . 0.48 110.969 177.09 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.425 ' HA3' ' CZ ' ' A' ' 54' ' ' PHE . . . -66.21 -40.3 94.8 Favored Glycine 0 C--O 1.221 -0.718 0 N-CA-C 111.058 -0.817 . . . . 0.37 111.058 -179.247 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 97.2 mt -58.34 -47.27 84.29 Favored 'General case' 0 CA--C 1.511 -0.527 0 N-CA-C 109.547 -0.538 . . . . 0.33 109.547 176.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.79 -25.63 64.8 Favored 'General case' 0 C--O 1.201 -1.474 0 CA-C-N 115.474 -0.785 . . . . 0.28 111.897 -179.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.468 ' HG2' ' O ' ' A' ' 9' ' ' ALA . 33.8 mm-40 -59.8 -49.64 76.91 Favored 'General case' 0 C--O 1.239 0.537 0 N-CA-C 109.802 -0.444 . . . . 2.48 109.802 174.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.806 ' HB ' HG23 ' A' ' 46' ' ' VAL . 5.2 mp -73.51 -45.73 50.75 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.977 0 C-N-CA 119.963 -0.695 . . . . 0.44 109.752 177.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.779 HG23 HG21 ' A' ' 46' ' ' VAL . 91.1 t -60.92 -23.71 30.43 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.159 0 N-CA-C 112.554 0.575 . . . . 0.34 112.554 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -65.59 -38.48 89.6 Favored 'General case' 0 C--N 1.313 -0.996 0 O-C-N 121.463 -0.773 . . . . 0.95 110.718 176.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -76.61 -32.61 58.17 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-O 121.232 0.539 . . . . 2.11 109.84 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 65.8 mt -81.63 -53.49 11.98 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.812 0 CA-C-N 115.565 -0.743 . . . . 0.71 112.408 -177.14 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -100.8 -30.52 11.65 Favored 'General case' 0 C--N 1.314 -0.962 0 N-CA-C 112.32 0.489 . . . . 0.68 112.32 -175.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.71 47.07 5.5 Favored Glycine 0 C--N 1.31 -0.893 0 C-N-CA 120.372 -0.918 . . . . 0.93 111.219 -177.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.408 ' CG1' HG12 ' A' ' 15' ' ' VAL . 2.3 pp -106.01 157.46 34.73 Favored Pre-proline 0 C--N 1.31 -1.139 0 N-CA-C 111.612 0.227 . . . . 0.6 111.612 -179.622 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_exo -75.62 135.37 17.88 Favored 'Trans proline' 0 N--CA 1.449 -1.14 0 C-N-CA 122.641 2.227 . . . . 0.75 109.431 174.009 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 32.8 m -68.13 -20.36 25.62 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.175 0 N-CA-C 112.425 0.528 . . . . 1.48 112.425 -176.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -94.74 -5.14 46.02 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-O 120.92 0.39 . . . . 2.03 110.926 178.657 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 39.2 t70 -82.49 -34.52 27.99 Favored 'General case' 0 CA--C 1.496 -1.108 0 N-CA-C 108.296 -1.002 . . . . 1.07 108.296 178.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.704 ' HA ' ' HG3' ' A' ' 30' ' ' LYS . 41.8 t -79.17 88.75 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.338 0 CA-C-N 114.275 -1.33 . . . . 0.73 109.535 178.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -99.29 -178.37 3.89 Favored 'General case' 0 C--N 1.304 -1.407 0 N-CA-C 107.218 -1.401 . . . . 2.83 107.218 172.131 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.613 ' HA ' HG23 ' A' ' 69' ' ' VAL . 5.6 mp -64.88 -20.88 66.66 Favored 'General case' 0 C--N 1.312 -1.062 0 N-CA-C 115.35 1.611 . . . . 1.07 115.35 -169.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -85.96 -0.92 56.68 Favored 'General case' 0 C--N 1.311 -1.088 0 C-N-CA 120.486 -0.486 . . . . 2.47 111.398 -179.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.704 ' HG3' ' HA ' ' A' ' 26' ' ' VAL . 28.4 mmtm -80.45 132.08 35.67 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 112.16 0.43 . . . . 1.06 112.16 -179.077 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.474 ' HB2' HG22 ' A' ' 68' ' ' THR . 30.7 t -111.12 149.45 30.83 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 108.088 -1.078 . . . . 1.31 108.088 173.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.446 ' O ' ' HB2' ' A' ' 36' ' ' LEU . 97.8 m-85 -64.73 -54.59 29.12 Favored 'General case' 0 C--O 1.22 -0.464 0 N-CA-C 113.493 0.923 . . . . 1.03 113.493 -169.62 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.657 HG21 ' HB3' ' A' ' 40' ' ' SER . 8.0 t -128.27 71.99 1.41 Allowed 'General case' 0 C--N 1.29 -1.983 0 CA-C-O 122.958 1.361 . . . . 1.37 109.3 178.198 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -170.19 -42.93 0.02 OUTLIER 'General case' 0 C--N 1.31 -1.15 0 CA-C-N 112.958 -1.928 . . . . 2.31 107.543 -176.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -107.89 -44.87 4.11 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 107.874 -1.158 . . . . 1.67 107.874 176.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.66 HD21 ' HD2' ' A' ' 30' ' ' LYS . 79.0 mt -90.7 174.61 7.39 Favored 'General case' 0 N--CA 1.443 -0.822 0 CA-C-N 114.707 -1.133 . . . . 0.69 110.202 178.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -109.04 29.26 7.66 Favored 'General case' 0 C--N 1.315 -0.928 0 C-N-CA 123.786 0.834 . . . . 2.15 109.599 -178.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.464 ' O ' ' HB ' ' A' ' 33' ' ' THR . 47.1 t -77.93 118.1 24.31 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.118 0 CA-C-N 115.115 -0.948 . . . . 2.23 109.038 -178.659 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.428 ' HB2' ' HB2' ' A' ' 42' ' ' SER . 9.2 m-20 -52.66 130.85 33.59 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 108.86 -0.793 . . . . 2.96 108.86 175.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.657 ' HB3' HG21 ' A' ' 33' ' ' THR . 70.3 p -66.66 -49.49 65.99 Favored 'General case' 0 C--N 1.299 -1.626 0 CA-C-N 116.369 -0.378 . . . . 1.19 111.735 -173.108 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.7 mp -60.67 -26.43 67.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.685 0.755 . . . . 1.34 110.199 178.11 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.428 ' HB2' ' HB2' ' A' ' 39' ' ' ASP . 32.4 m -82.9 -24.32 33.18 Favored 'General case' 0 N--CA 1.432 -1.374 0 CA-C-N 115.558 -0.746 . . . . 1.26 110.892 179.455 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.492 ' O ' HG12 ' A' ' 46' ' ' VAL . 12.5 tmm? -70.85 -25.56 62.88 Favored 'General case' 0 C--O 1.215 -0.738 0 CA-C-O 122.142 0.973 . . . . 0.97 108.444 177.325 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.448 ' HA ' HG12 ' A' ' 47' ' ' VAL . 33.2 t -61.61 -27.92 43.06 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.739 0 CA-C-O 122.067 0.937 . . . . 0.65 108.792 175.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -80.09 -20.41 45.16 Favored 'General case' 0 N--CA 1.424 -1.728 0 CA-C-N 114.668 -1.151 . . . . 2.06 111.314 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.806 HG23 ' HB ' ' A' ' 14' ' ' ILE . 12.6 p -87.95 -35.64 8.43 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.05 0 C-N-CA 119.825 -0.75 . . . . 1.43 110.053 175.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.534 HG21 HG22 ' A' ' 63' ' ' VAL . 12.9 p -66.18 -40.7 87.71 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 C-N-CA 119.872 -0.731 . . . . 0.53 111.36 179.568 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 11.9 p -65.58 -34.53 71.04 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 CA-C-O 121.353 0.596 . . . . 0.65 110.036 177.098 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -75.28 -26.86 59.1 Favored 'General case' 0 C--O 1.21 -1.004 0 CA-C-N 115.982 -0.554 . . . . 0.32 110.335 178.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.38 -34.29 70.28 Favored 'General case' 0 C--N 1.308 -1.225 0 CA-C-N 116.57 -0.286 . . . . 0.36 110.323 179.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.588 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 39.8 mt-10 -59.1 -41.36 87.94 Favored 'General case' 0 C--O 1.217 -0.646 0 O-C-N 123.607 0.567 . . . . 0.78 110.69 179.011 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -83.75 -35.78 24.11 Favored 'General case' 0 C--N 1.307 -1.244 0 CA-C-N 116.16 -0.473 . . . . 0.96 111.839 178.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.5 tpm_? -67.99 -49.24 62.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.165 0.507 . . . . 3.85 111.269 -177.009 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.515 ' HB2' HG12 ' A' ' 56' ' ' VAL . 51.5 m-85 -97.66 -5.39 35.45 Favored 'General case' 0 C--N 1.306 -1.32 0 CA-C-N 115.95 -0.568 . . . . 0.4 111.165 -175.741 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.451 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 30.7 t70 76.57 -12.45 1.04 Allowed 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 124.631 1.172 . . . . 1.95 112.175 178.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.664 HG11 HG23 ' A' ' 76' ' ' ILE . 6.4 p -83.07 110.76 18.44 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.258 0 CA-C-O 121.837 0.827 . . . . 1.37 110.514 178.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 33.5 mtmm -75.27 129.21 37.05 Favored 'General case' 0 C--N 1.289 -2.034 0 CA-C-N 115.316 -0.856 . . . . 3.34 109.356 179.089 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.446 ' H ' ' HG2' ' A' ' 51' ' ' GLU . 46.0 mt -122.31 103.77 38.37 Favored Pre-proline 0 C--N 1.304 -1.373 0 N-CA-C 108.868 -0.79 . . . . 0.57 108.868 -172.405 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.507 ' O ' HG23 ' A' ' 63' ' ' VAL . 27.6 Cg_exo -65.87 152.45 81.45 Favored 'Trans proline' 0 CA--C 1.534 0.499 0 C-N-CA 123.801 3.001 . . . . 0.63 113.341 -178.733 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -52.66 -44.83 66.43 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 125.257 1.423 . . . . 2.3 111.417 -179.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -63.69 -25.3 68.14 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.081 -0.963 . . . . 2.38 111.806 179.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.427 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 54.0 m-20 -86.51 -37.32 18.34 Favored 'General case' 0 CA--C 1.503 -0.864 0 O-C-N 122.252 -0.28 . . . . 1.52 111.23 178.337 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.534 HG22 HG21 ' A' ' 47' ' ' VAL . 64.6 t -54.44 -55.24 15.96 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 123.111 0.564 . . . . 0.79 109.535 177.559 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -66.23 -12.06 53.85 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.408 -0.815 . . . . 1.24 112.347 -178.172 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -95.81 -3.54 45.44 Favored 'General case' 0 C--N 1.308 -1.199 0 CA-C-O 121.113 0.482 . . . . 2.07 110.092 -175.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.486 HD22 ' HB3' ' A' ' 71' ' ' ASP . 78.4 mt -106.95 175.74 5.4 Favored 'General case' 0 C--N 1.313 -1.009 0 C-N-CA 120.399 -0.52 . . . . 0.6 110.398 -178.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 47.6 pttt -139.97 -59.6 0.55 Allowed 'General case' 0 N--CA 1.438 -1.053 0 N-CA-C 113.262 0.838 . . . . 2.69 113.262 178.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.474 HG22 ' HB2' ' A' ' 31' ' ' SER . 68.3 p -98.97 -179.26 4.21 Favored 'General case' 0 C--N 1.309 -1.173 0 O-C-N 121.457 -0.777 . . . . 0.46 110.86 -179.42 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.613 HG23 ' HA ' ' A' ' 28' ' ' LEU . 35.7 m -79.48 -13.11 13.31 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.669 0 CA-C-O 121.395 0.617 . . . . 0.66 109.455 173.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -75.64 -25.83 66.66 Favored Glycine 0 N--CA 1.435 -1.413 0 N-CA-C 109.087 -1.605 . . . . 0.46 109.087 172.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.743 ' HA ' ' HE2' ' A' ' 74' ' ' LYS . 18.8 m-20 -80.67 -34.95 34.37 Favored 'General case' 0 CA--C 1.505 -0.755 0 N-CA-C 109.628 -0.508 . . . . 1.62 109.628 174.602 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.476 ' HB1' ' H8B' ' A' ' 101' ' ' SXO . . . -63.18 -53.24 56.27 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 115.238 -0.892 . . . . 0.51 110.063 -179.567 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.5 p -57.0 -51.0 70.99 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 115.711 -0.677 . . . . 0.46 110.606 177.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.743 ' HE2' ' HA ' ' A' ' 71' ' ' ASP . 37.6 ttpt -49.06 -42.74 39.67 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 124.432 1.093 . . . . 3.54 111.803 177.639 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -73.05 -50.17 24.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.091 0.472 . . . . 0.83 110.742 178.371 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.664 HG23 HG11 ' A' ' 56' ' ' VAL . 56.2 mt -53.9 -57.71 5.03 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.226 0 CA-C-N 115.456 -0.793 . . . . 0.65 112.168 -178.623 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 10.9 mp -58.84 -21.78 57.49 Favored 'General case' 0 C--N 1.317 -0.832 0 C-N-CA 123.641 0.776 . . . . 1.74 112.272 179.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -81.62 -45.7 15.43 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-O 121.594 0.711 . . . . 1.32 110.041 177.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 12.5 t-80 -76.76 -60.45 2.35 Favored 'General case' 0 C--N 1.31 -1.151 0 CA-C-N 114.659 -1.155 . . . . 2.89 110.661 -174.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.438 ' HA ' ' OE1' ' A' ' 80' ' ' GLN . 14.1 mm-40 49.8 105.43 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.565 1.546 . . . . 2.23 113.209 -175.483 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.451 ' HA ' ' O ' ' A' ' 55' ' ' ASP . . . . . . . . 0 C--O 1.254 1.307 0 C-N-CA 124.608 1.163 . . . . 3.38 110.844 -176.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' SXO . . . . . 0.476 ' H8B' ' HB1' ' A' ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.225 0 CA-C-O 120.499 0.19 . . . . 2.17 111.008 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -81.04 140.34 35.2 Favored 'General case' 0 N--CA 1.445 -0.704 0 N-CA-C 106.479 -1.675 . . . . 1.12 106.479 174.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.569 HG22 ' H ' ' A' ' 4' ' ' GLN . 1.2 m -97.09 172.86 7.57 Favored 'General case' 0 C--N 1.295 -1.767 0 C-N-CA 119.031 -1.068 . . . . 1.57 112.771 -171.447 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.569 ' H ' HG22 ' A' ' 3' ' ' THR . 62.2 tt0 -40.01 -56.31 1.87 Allowed 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 126.452 1.901 . . . . 1.76 115.345 -170.3 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -66.23 -37.74 86.25 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 118.816 0.734 . . . . 3.05 111.438 -177.179 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -74.51 -27.52 60.58 Favored 'General case' 0 N--CA 1.438 -1.05 0 N-CA-C 109.077 -0.712 . . . . 2.53 109.077 -178.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.483 HG12 ' O ' ' A' ' 3' ' ' THR . 37.0 mm -68.22 -48.8 72.05 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.105 0 N-CA-C 108.594 -0.891 . . . . 0.45 108.594 173.577 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.472 ' HA ' HD12 ' A' ' 11' ' ' LEU . 88.8 t -53.19 -46.87 56.56 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 CA-C-N 115.881 -0.599 . . . . 0.57 110.233 177.323 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.554 ' O ' ' HG3' ' A' ' 13' ' ' GLU . . . -53.31 -46.6 69.46 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 123.852 0.72 . . . . 0.48 110.807 177.489 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.8 -39.95 93.63 Favored Glycine 0 N--CA 1.444 -0.828 0 N-CA-C 111.529 -0.628 . . . . 0.37 111.529 -179.431 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.472 HD12 ' HA ' ' A' ' 8' ' ' VAL . 91.0 mt -57.86 -51.66 68.69 Favored 'General case' 0 C--O 1.243 0.744 0 C-N-CA 123.257 0.623 . . . . 0.33 111.018 178.642 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.33 -22.35 66.92 Favored 'General case' 0 N--CA 1.443 -0.803 0 CA-C-N 115.371 -0.831 . . . . 0.28 112.797 -176.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.554 ' HG3' ' O ' ' A' ' 9' ' ' ALA . 42.7 mt-10 -62.78 -49.98 72.83 Favored 'General case' 0 C--O 1.243 0.761 0 CA-C-O 120.737 0.303 . . . . 2.48 110.523 178.102 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.562 HG21 ' HA ' ' A' ' 46' ' ' VAL . 3.6 mp -71.39 -35.4 57.09 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 N-CA-C 109.281 -0.637 . . . . 0.44 109.281 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 11' ' ' LEU . 21.5 t -69.42 -26.46 31.38 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.213 0 C-N-CA 120.215 -0.594 . . . . 0.34 110.946 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.478 ' O ' ' HA2' ' A' ' 20' ' ' GLY . 24.8 t-20 -74.24 -28.23 61.14 Favored 'General case' 0 C--O 1.214 -0.794 0 O-C-N 121.785 -0.572 . . . . 0.95 110.26 175.685 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -77.46 -52.36 9.23 Favored 'General case' 0 C--N 1.304 -1.386 0 CA-C-O 121.442 0.639 . . . . 2.11 109.741 178.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.613 HD12 HG22 ' A' ' 46' ' ' VAL . 48.3 mt -73.02 -52.41 22.32 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 CA-C-N 115.533 -0.758 . . . . 0.71 112.637 -176.46 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -97.25 -41.86 8.08 Favored 'General case' 0 C--N 1.31 -1.144 0 CA-C-O 120.999 0.428 . . . . 0.68 111.095 -177.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.478 ' HA2' ' O ' ' A' ' 16' ' ' ASN . . . 93.88 43.28 3.9 Favored Glycine 0 C--N 1.309 -0.961 0 C-N-CA 120.155 -1.022 . . . . 0.93 111.821 -179.081 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 2.4 pp -86.55 159.63 52.36 Favored Pre-proline 0 C--N 1.307 -1.251 0 N-CA-C 111.559 0.207 . . . . 0.6 111.559 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -70.4 133.58 24.72 Favored 'Trans proline' 0 N--CA 1.446 -1.306 0 C-N-CA 121.922 1.748 . . . . 0.75 108.6 171.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.9 m -66.36 -26.5 37.96 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.269 0 C-N-CA 120.43 -0.508 . . . . 1.48 112.271 -177.05 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -83.39 -7.67 59.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.838 0.351 . . . . 2.03 110.88 178.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.429 ' O ' ' HE3' ' A' ' 30' ' ' LYS . 25.9 t70 -78.11 -39.71 40.47 Favored 'General case' 0 CA--C 1.501 -0.917 0 N-CA-C 109.346 -0.612 . . . . 1.07 109.346 -177.757 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 52.6 t -71.01 91.34 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.036 0 CA-C-N 114.658 -1.155 . . . . 0.73 110.793 -178.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -113.77 169.83 8.7 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 107.708 -1.219 . . . . 2.83 107.708 173.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.411 ' HA ' HG23 ' A' ' 69' ' ' VAL . 55.3 mt -52.04 -31.12 28.58 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 114.733 1.382 . . . . 1.07 114.733 -170.351 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -79.24 -5.1 53.58 Favored 'General case' 0 C--N 1.312 -1.032 0 N-CA-C 112.708 0.633 . . . . 2.47 112.708 -179.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.568 ' HB3' ' HG ' ' A' ' 36' ' ' LEU . 73.8 mmtt -87.17 122.22 30.68 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 120.768 0.318 . . . . 1.06 111.387 -178.04 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.672 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 24.1 t -96.22 147.83 23.36 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 107.68 -1.23 . . . . 1.31 107.68 171.768 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.532 ' CZ ' HG12 ' A' ' 69' ' ' VAL . 91.9 m-85 -59.01 -36.96 75.81 Favored 'General case' 0 CA--C 1.513 -0.457 0 N-CA-C 113.316 0.858 . . . . 1.03 113.316 -170.403 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.8 t -136.63 76.2 1.58 Allowed 'General case' 0 N--CA 1.42 -1.929 0 CA-C-O 122.671 1.224 . . . . 1.37 110.999 177.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -173.54 -54.14 0.02 OUTLIER 'General case' 0 CA--C 1.488 -1.438 0 CA-C-N 113.252 -1.795 . . . . 2.31 106.508 175.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -95.97 -47.39 6.13 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 114.537 -1.21 . . . . 1.67 108.168 176.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.568 ' HG ' ' HB3' ' A' ' 30' ' ' LYS . 76.6 mt -77.7 156.29 30.76 Favored 'General case' 0 CA--C 1.494 -1.186 0 CA-C-N 115.562 -0.744 . . . . 0.69 110.287 -179.593 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -102.92 71.75 1.16 Allowed 'General case' 0 C--N 1.297 -1.694 0 CA-C-O 122.402 1.096 . . . . 2.15 109.315 -174.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 45.7 t -126.91 145.07 35.12 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.701 0 N-CA-C 105.409 -2.071 . . . . 2.23 105.409 175.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -59.65 -77.55 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 118.292 0.496 . . . . 2.96 110.37 -179.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 97.0 p -179.17 -72.83 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.329 0.652 . . . . 1.19 111.843 169.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.705 ' HA ' ' H37' ' A' ' 101' ' ' SXO . 9.2 mp -58.64 -23.68 59.6 Favored 'General case' 0 N--CA 1.489 1.475 0 CA-C-O 121.993 0.902 . . . . 1.34 111.374 -179.142 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.0 m -63.75 -23.81 67.51 Favored 'General case' 0 C--N 1.295 -1.772 0 CA-C-N 115.273 -0.876 . . . . 1.26 111.75 178.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.423 ' O ' ' HB ' ' A' ' 46' ' ' VAL . 11.2 tmm? -70.17 -21.97 63.0 Favored 'General case' 0 C--O 1.21 -1.004 0 N-CA-C 109.056 -0.72 . . . . 0.97 109.056 178.637 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.551 ' HA ' HG12 ' A' ' 47' ' ' VAL . 31.3 t -64.21 -23.68 33.95 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.833 0 CA-C-O 121.581 0.705 . . . . 0.65 110.428 178.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.3 mm-40 -79.0 -21.53 46.87 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 121.56 0.695 . . . . 2.06 109.459 175.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.613 HG22 HD12 ' A' ' 18' ' ' ILE . 91.6 t -77.74 -63.23 1.13 Allowed 'Isoleucine or valine' 0 C--O 1.213 -0.854 0 N-CA-C 108.139 -1.06 . . . . 1.43 108.139 177.249 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.551 HG12 ' HA ' ' A' ' 44' ' ' VAL . 13.8 p -50.82 -39.43 18.68 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.79 0 N-CA-C 114.127 1.158 . . . . 0.53 114.127 -174.724 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 14.5 p -66.53 -33.16 61.6 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.957 0 CA-C-O 121.52 0.676 . . . . 0.65 110.737 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -86.25 -16.25 38.24 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.6 -0.727 . . . . 0.32 109.736 178.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -81.37 -53.44 6.32 Favored 'General case' 0 CA--C 1.493 -1.235 0 CA-C-N 115.14 -0.936 . . . . 0.36 110.837 -179.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.452 ' OE1' ' HD2' ' A' ' 57' ' ' LYS . 17.2 pt-20 -55.33 -45.9 76.36 Favored 'General case' 0 C--N 1.315 -0.927 0 O-C-N 123.773 0.671 . . . . 0.78 111.144 -176.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -64.7 -38.9 92.55 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-O 120.776 0.322 . . . . 0.96 111.161 178.047 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.461 ' HA ' ' HE ' ' A' ' 53' ' ' ARG . 1.2 tpm_? -62.95 -41.68 99.58 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 123.483 0.713 . . . . 3.85 110.52 -178.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -90.56 9.58 28.91 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.899 -0.591 . . . . 0.4 112.354 -176.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 62.7 29.66 16.81 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 123.543 0.737 . . . . 1.95 111.148 178.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.529 HG22 ' H ' ' A' ' 57' ' ' LYS . 9.1 p -120.52 -179.95 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.581 0 N-CA-C 109.171 -0.677 . . . . 1.37 109.171 -176.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.529 ' H ' HG22 ' A' ' 56' ' ' VAL . 31.1 tptt -134.03 119.81 19.44 Favored 'General case' 0 N--CA 1.427 -1.586 0 N-CA-C 107.718 -1.216 . . . . 3.34 107.718 174.601 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.599 HD13 ' H8A' ' A' ' 101' ' ' SXO . 58.5 mt -114.4 104.05 54.74 Favored Pre-proline 0 C--N 1.299 -1.604 0 N-CA-C 109.68 -0.489 . . . . 0.57 109.68 -178.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.529 ' O ' HG23 ' A' ' 63' ' ' VAL . 25.7 Cg_exo -63.72 148.29 92.17 Favored 'Trans proline' 0 CA--C 1.537 0.63 0 C-N-CA 123.394 2.73 . . . . 0.63 112.295 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -57.2 -39.96 76.48 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 124.289 1.036 . . . . 2.3 113.654 -172.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -81.03 -30.97 34.77 Favored 'General case' 0 C--N 1.306 -1.325 0 CA-C-O 121.414 0.626 . . . . 2.38 110.31 -178.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -65.49 -29.95 70.66 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.675 -0.693 . . . . 1.52 110.474 176.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 59' ' ' PRO . 92.2 t -58.8 -50.11 80.51 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.555 0 N-CA-C 109.046 -0.724 . . . . 0.79 109.046 173.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 60.6 mttm -64.55 -16.5 62.71 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.716 0.806 . . . . 1.24 111.491 -175.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 17.2 m-80 -85.89 -17.13 36.38 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.708 -0.678 . . . . 2.07 112.397 -178.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.559 HD13 ' HA ' ' A' ' 72' ' ' ALA . 81.6 mt -89.26 173.63 8.29 Favored 'General case' 0 C--N 1.313 -0.997 0 C-N-CA 120.337 -0.545 . . . . 0.6 110.054 -177.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.428 ' HB2' ' OD2' ' A' ' 71' ' ' ASP . 9.4 mtmp? -130.6 -72.84 0.55 Allowed 'General case' 0 C--N 1.311 -1.099 0 CA-C-O 121.019 0.438 . . . . 2.69 111.359 -178.425 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.672 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 45.3 p -97.21 -179.18 4.43 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 122.239 -0.288 . . . . 0.46 111.591 -176.14 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.532 HG12 ' CZ ' ' A' ' 32' ' ' PHE . 34.6 m -74.72 -17.52 16.45 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 N-CA-C 109.337 -0.616 . . . . 0.66 109.337 174.264 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -72.78 -27.42 69.09 Favored Glycine 0 N--CA 1.432 -1.633 0 N-CA-C 109.427 -1.469 . . . . 0.46 109.427 174.053 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.428 ' OD2' ' HB2' ' A' ' 67' ' ' LYS . 59.9 m-20 -83.69 -31.92 25.84 Favored 'General case' 0 C--N 1.311 -1.096 0 O-C-N 122.315 -0.52 . . . . 1.62 110.204 177.552 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.559 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -63.44 -52.47 61.36 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.352 -0.84 . . . . 0.51 109.365 178.17 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.529 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 16.5 p -54.09 -51.48 64.03 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-N 115.121 -0.945 . . . . 0.46 112.444 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.1 mtmm -56.69 -38.97 73.0 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 112.534 0.568 . . . . 3.54 112.534 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 56.6 t80 -70.04 -41.02 74.79 Favored 'General case' 0 C--O 1.242 0.681 0 CA-C-O 121.543 0.687 . . . . 0.83 109.961 -178.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.84 -59.13 4.76 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.049 0 CA-C-N 115.08 -0.963 . . . . 0.65 111.162 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' ' 73' ' ' THR . 3.3 pp -62.7 -22.96 66.89 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 112.993 0.738 . . . . 1.74 112.993 -177.598 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -71.7 -38.5 70.54 Favored 'General case' 0 C--N 1.306 -1.297 0 CA-C-O 121.326 0.584 . . . . 1.32 109.861 177.054 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 11.3 m170 -94.97 1.05 55.17 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.499 -0.773 . . . . 2.89 112.866 -177.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.504 HE21 ' HA ' ' A' ' 77' ' ' LEU . 38.6 mt-30 -82.95 -178.29 7.06 Favored 'General case' 0 C--N 1.314 -0.978 0 O-C-N 121.924 -0.485 . . . . 2.23 111.677 178.589 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.429 -1.482 0 N-CA-C 107.587 -1.264 . . . . 3.38 107.587 177.313 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' SXO . . . . . 0.705 ' H37' ' HA ' ' A' ' 41' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.34 0 CA-C-O 120.773 0.32 . . . . 2.17 110.238 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -154.1 154.7 34.09 Favored 'General case' 0 CA--C 1.473 -1.988 0 N-CA-C 108.343 -0.984 . . . . 1.12 108.343 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.589 ' O ' HG12 ' A' ' 7' ' ' ILE 0.285 7.4 p -95.18 176.82 6.08 Favored 'General case' 0 N--CA 1.403 -2.796 0 N-CA-C 113.518 0.933 . . . . 1.57 113.518 -177.056 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -55.9 -38.7 70.55 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 115.946 1.832 . . . . 1.76 115.946 -168.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -74.12 -33.33 63.54 Favored 'General case' 0 C--N 1.314 -0.935 0 N-CA-C 108.769 -0.826 . . . . 3.05 108.769 -178.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -72.18 -38.18 69.15 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.631 -0.713 . . . . 2.53 109.428 177.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.589 HG12 ' O ' ' A' ' 3' ' ' THR . 44.9 mm -60.46 -54.07 40.1 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.705 0 N-CA-C 109.099 -0.704 . . . . 0.45 109.099 177.721 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.601 HG21 HD13 ' A' ' 28' ' ' LEU . 86.6 t -57.26 -42.13 79.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 CA-C-N 116.4 -0.364 . . . . 0.57 111.18 179.392 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.39 -40.89 95.99 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.327 -0.397 . . . . 0.48 110.944 177.364 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.48 -38.31 90.68 Favored Glycine 0 C--O 1.216 -0.971 0 N-CA-C 110.881 -0.888 . . . . 0.37 110.881 178.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.586 HD12 ' HA ' ' A' ' 8' ' ' VAL . 94.4 mt -58.01 -43.74 86.86 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.356 0.598 . . . . 0.33 109.431 176.293 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.56 -25.91 67.64 Favored 'General case' 0 C--O 1.211 -0.952 0 CA-C-N 115.107 -0.951 . . . . 0.28 112.392 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -59.52 -48.74 80.5 Favored 'General case' 0 C--O 1.245 0.847 0 CA-C-O 121.565 0.697 . . . . 2.48 109.159 175.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.764 HD11 ' HG3' ' A' ' 53' ' ' ARG . 3.5 mp -74.38 -41.03 50.07 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.274 0 CA-C-N 115.334 -0.848 . . . . 0.44 109.771 179.517 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.563 HG11 HD13 ' A' ' 36' ' ' LEU . 53.6 t -63.78 -26.34 40.39 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.292 0 O-C-N 121.748 -0.595 . . . . 0.34 111.472 179.394 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -72.28 -31.27 65.6 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 121.253 0.549 . . . . 0.95 109.758 175.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -79.61 -35.91 38.81 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 115.457 -0.792 . . . . 2.11 110.39 -179.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 45.6 mm -82.99 -53.63 11.09 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.072 0 CA-C-N 115.645 -0.707 . . . . 0.71 111.473 -178.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -110.14 -45.15 3.63 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-O 120.706 0.289 . . . . 0.68 111.554 -175.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 102.6 87.17 1.99 Allowed Glycine 0 C--N 1.317 -0.522 0 C-N-CA 120.15 -1.024 . . . . 0.93 112.466 179.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.427 HD11 ' HB ' ' A' ' 15' ' ' VAL . 1.7 pp -136.79 154.77 76.62 Favored Pre-proline 0 C--N 1.303 -1.417 0 C-N-CA 123.031 0.532 . . . . 0.6 109.939 179.203 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -67.23 124.47 12.17 Favored 'Trans proline' 0 N--CA 1.446 -1.292 0 C-N-CA 121.921 1.747 . . . . 0.75 109.968 176.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 27.5 m -64.35 -8.6 4.97 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.03 0 N-CA-C 114.098 1.147 . . . . 1.48 114.098 -177.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.25 -17.42 19.84 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-O 121.115 0.483 . . . . 2.03 110.011 177.176 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -85.92 -28.86 24.05 Favored 'General case' 0 CA--C 1.497 -1.063 0 CA-C-O 121.621 0.724 . . . . 1.07 109.931 -172.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.921 ' HA ' ' HG3' ' A' ' 30' ' ' LYS . 48.6 t -77.66 89.33 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.361 0 N-CA-C 107.741 -1.207 . . . . 0.73 107.741 175.347 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -101.57 -178.29 3.68 Favored 'General case' 0 C--N 1.306 -1.31 0 CA-C-N 114.375 -1.284 . . . . 2.83 108.436 179.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.601 HD13 HG21 ' A' ' 8' ' ' VAL . 3.9 mm? -57.18 -26.37 60.51 Favored 'General case' 0 N--CA 1.482 1.127 0 N-CA-C 114.104 1.15 . . . . 1.07 114.104 -175.517 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -94.59 19.77 9.41 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 113.043 0.757 . . . . 2.47 113.043 -177.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.921 ' HG3' ' HA ' ' A' ' 26' ' ' VAL . 32.4 mmtm -89.4 167.67 12.83 Favored 'General case' 0 C--N 1.296 -1.718 0 CA-C-O 121.184 0.516 . . . . 1.06 110.289 175.008 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.546 ' OG ' ' HB2' ' A' ' 34' ' ' ASP . 12.6 p -146.25 168.43 21.08 Favored 'General case' 0 C--N 1.292 -1.918 0 N-CA-C 105.252 -2.129 . . . . 1.31 105.252 174.55 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.512 ' O ' ' HB2' ' A' ' 36' ' ' LEU . 94.5 m-85 -88.94 -38.92 14.12 Favored 'General case' 0 C--N 1.307 -1.28 0 CA-C-N 119.509 1.05 . . . . 1.03 112.557 -170.574 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.2 t -112.99 -7.69 13.7 Favored 'General case' 0 C--N 1.287 -2.115 0 C-N-CA 118.542 -1.263 . . . . 1.37 112.539 -177.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.546 ' HB2' ' OG ' ' A' ' 31' ' ' SER . 8.6 m-20 -95.95 -55.93 2.82 Favored 'General case' 0 C--N 1.29 -2.021 0 C-N-CA 119.485 -0.886 . . . . 2.31 109.056 -179.096 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -88.48 -37.61 15.65 Favored 'General case' 0 C--N 1.307 -1.24 0 CA-C-N 115.968 -0.56 . . . . 1.67 110.45 -179.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.563 HD13 HG11 ' A' ' 15' ' ' VAL . 78.0 mt -84.89 169.15 14.38 Favored 'General case' 0 CA--C 1.506 -0.728 0 C-N-CA 120.434 -0.506 . . . . 0.69 112.12 -177.258 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -92.77 17.3 10.64 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.43 -0.805 . . . . 2.15 110.696 -178.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.489 ' HB ' ' O ' ' A' ' 32' ' ' PHE . 59.4 t -82.05 123.2 37.89 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.43 0 N-CA-C 106.864 -1.532 . . . . 2.23 106.864 177.669 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -48.83 -69.32 0.12 Allowed 'General case' 0 CA--C 1.493 -1.223 0 O-C-N 124.173 0.921 . . . . 2.96 110.622 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 44.0 p 157.87 -51.05 0.0 OUTLIER 'General case' 0 C--O 1.217 -0.656 0 C-N-CA 127.143 2.177 . . . . 1.19 108.689 173.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.1 mp -59.62 -31.78 69.81 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-O 122.432 1.111 . . . . 1.34 108.638 178.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 36.9 t -68.02 -29.76 68.84 Favored 'General case' 0 CA--C 1.562 1.424 0 CA-C-N 113.979 -1.464 . . . . 1.26 112.214 176.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.421 ' O ' ' HG2' ' A' ' 43' ' ' MET . 27.4 ttp -68.46 -21.06 64.65 Favored 'General case' 0 N--CA 1.483 1.224 0 O-C-N 121.482 -0.761 . . . . 0.97 110.698 -176.591 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.502 ' HA ' HG12 ' A' ' 47' ' ' VAL . 36.5 t -58.53 -25.98 29.6 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.468 0 CA-C-N 115.959 -0.564 . . . . 0.65 111.404 -179.137 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -77.27 -28.03 53.32 Favored 'General case' 0 C--O 1.222 -0.342 0 CA-C-O 121.456 0.646 . . . . 2.06 110.248 175.004 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.606 ' HA ' HG21 ' A' ' 14' ' ' ILE . 57.8 t -73.66 -56.69 8.61 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.068 0 CA-C-N 115.4 -0.818 . . . . 1.43 109.444 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.502 HG12 ' HA ' ' A' ' 44' ' ' VAL . 12.3 p -56.87 -38.01 56.95 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.953 0 N-CA-C 112.743 0.646 . . . . 0.53 112.743 -176.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 9.5 p -69.93 -30.93 46.16 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 CA-C-O 121.142 0.496 . . . . 0.65 110.646 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.496 ' O ' ' HG2' ' A' ' 53' ' ' ARG . . . -79.56 -29.95 41.53 Favored 'General case' 0 C--O 1.212 -0.904 0 CA-C-O 121.41 0.624 . . . . 0.32 109.692 177.764 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.78 -35.11 79.53 Favored 'General case' 0 C--N 1.309 -1.177 0 O-C-N 122.113 -0.367 . . . . 0.36 111.424 179.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -55.66 -47.3 76.93 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-O 120.942 0.401 . . . . 0.78 111.088 178.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -75.54 -37.3 60.13 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 116.3 -0.409 . . . . 0.96 112.036 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.764 ' HG3' HD11 ' A' ' 14' ' ' ILE . 10.3 mmm180 -64.12 -44.54 91.92 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 112.759 0.652 . . . . 3.85 112.759 -176.722 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -99.76 6.75 45.43 Favored 'General case' 0 C--N 1.31 -1.144 0 N-CA-C 112.337 0.495 . . . . 0.4 112.337 -174.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 32.6 t70 57.28 63.81 1.78 Allowed 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 122.444 1.116 . . . . 1.95 109.768 -178.067 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.757 HG22 ' H ' ' A' ' 57' ' ' LYS . 9.3 p -145.64 -170.43 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.426 -1.632 0 CA-C-N 115.169 -0.923 . . . . 1.37 108.797 -175.704 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.757 ' H ' HG22 ' A' ' 56' ' ' VAL . 65.5 tttp -151.87 129.08 11.18 Favored 'General case' 0 C--N 1.297 -1.7 0 N-CA-C 105.794 -1.928 . . . . 3.34 105.794 179.041 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 59.2 mt -131.1 115.22 16.42 Favored Pre-proline 0 C--N 1.294 -1.816 0 N-CA-C 108.854 -0.795 . . . . 0.57 108.854 -175.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.568 ' HD3' ' OH ' ' A' ' 75' ' ' TYR . 7.5 Cg_exo -72.82 136.73 25.82 Favored 'Trans proline' 0 N--CA 1.445 -1.342 0 C-N-CA 122.326 2.017 . . . . 0.63 110.469 178.465 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -56.33 -28.74 59.92 Favored 'General case' 0 N--CA 1.482 1.173 0 CA-C-O 121.701 0.763 . . . . 2.3 110.745 178.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -59.51 -48.08 83.03 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.238 -0.892 . . . . 2.38 110.135 174.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -80.61 -20.08 44.03 Favored 'General case' 0 C--O 1.215 -0.741 0 CA-C-N 115.331 -0.85 . . . . 1.52 110.942 -173.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 59' ' ' PRO . 84.4 t -56.84 -43.29 79.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 N-CA-C 109.168 -0.678 . . . . 0.79 109.168 174.105 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 36.7 mtmm -75.36 -9.12 58.28 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.81 -0.632 . . . . 1.24 112.002 179.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -91.72 -29.21 16.95 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 109.482 -0.562 . . . . 2.07 109.482 178.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 91.5 mt -77.54 170.32 16.77 Favored 'General case' 0 C--O 1.24 0.605 0 CA-C-N 116.19 -0.459 . . . . 0.6 110.147 -179.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.0 pttp -139.72 -80.46 0.29 Allowed 'General case' 0 C--N 1.31 -1.14 0 N-CA-C 114.836 1.421 . . . . 2.69 114.836 -176.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.494 HG22 ' HB3' ' A' ' 31' ' ' SER . 69.1 p -90.75 -178.67 5.32 Favored 'General case' 0 C--N 1.306 -1.313 0 O-C-N 121.724 -0.61 . . . . 0.46 110.238 -176.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 34.2 m -81.09 -15.18 12.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 C-N-CA 120.202 -0.599 . . . . 0.66 109.598 176.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -85.76 -20.19 56.49 Favored Glycine 0 N--CA 1.444 -0.793 0 N-CA-C 109.604 -1.398 . . . . 0.46 109.604 176.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -83.51 -47.01 11.8 Favored 'General case' 0 C--N 1.306 -1.321 0 CA-C-N 114.795 -0.703 . . . . 1.62 109.356 175.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.12 -39.66 87.02 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.148 -0.933 . . . . 0.51 111.319 -178.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -55.72 -44.09 77.18 Favored 'General case' 0 C--O 1.216 -0.686 0 C-N-CA 122.713 0.405 . . . . 0.46 111.945 179.021 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -55.66 -37.0 67.68 Favored 'General case' 0 N--CA 1.451 -0.409 0 O-C-N 123.854 0.721 . . . . 3.54 111.044 -179.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.568 ' OH ' ' HD3' ' A' ' 59' ' ' PRO . 49.4 t80 -80.02 -50.78 9.89 Favored 'General case' 0 N--CA 1.446 -0.636 0 C-N-CA 120.704 -0.398 . . . . 0.83 111.19 177.432 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.409 HG23 HG11 ' A' ' 56' ' ' VAL . 90.7 mt -55.87 -57.57 7.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 C-N-CA 122.78 0.432 . . . . 0.65 110.75 -178.088 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 61.0 tp -57.98 -29.02 64.89 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 123.944 0.898 . . . . 1.74 112.045 -178.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -87.43 -36.01 17.96 Favored 'General case' 0 C--N 1.311 -1.078 0 C-N-CA 119.807 -0.757 . . . . 1.32 111.784 -177.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 17.8 t60 -86.36 -11.1 52.97 Favored 'General case' 0 C--N 1.308 -1.204 0 CA-C-N 116.196 -0.456 . . . . 2.89 111.117 -175.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -89.3 -175.41 4.75 Favored 'General case' 0 C--N 1.311 -1.069 0 O-C-N 121.764 -0.585 . . . . 2.23 110.775 -178.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.43 -1.467 0 N-CA-C 108.772 -0.825 . . . . 3.38 108.772 175.398 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' SXO . . . . . 0.507 HN36 H28A ' A' ' 101' ' ' SXO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.19 0 CA-C-O 120.381 0.134 . . . . 2.17 110.774 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.418 ' HB1' ' HB2' ' A' ' 6' ' ' GLU . . . -119.82 179.11 4.35 Favored 'General case' 0 C--N 1.314 -0.97 0 N-CA-C 108.365 -0.976 . . . . 1.12 108.365 179.184 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.59 ' O ' HG12 ' A' ' 7' ' ' ILE . 3.6 m -119.64 177.71 4.84 Favored 'General case' 0 C--N 1.304 -1.373 0 CA-C-O 117.945 -1.026 . . . . 1.57 108.762 178.753 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.544 ' H ' HG22 ' A' ' 3' ' ' THR . 8.0 tt0 -42.98 -56.49 3.28 Favored 'General case' 0 N--CA 1.485 1.287 0 N-CA-C 114.61 1.337 . . . . 1.76 114.61 -172.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -74.41 -30.22 61.84 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 109.668 -0.493 . . . . 3.05 109.668 -175.056 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.505 ' HB2' ' H ' ' A' ' 3' ' ' THR . 21.2 mm-40 -71.19 -33.06 69.6 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.718 -0.674 . . . . 2.53 109.324 178.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.59 HG12 ' O ' ' A' ' 3' ' ' THR . 41.3 mm -61.49 -54.53 33.71 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.915 0 N-CA-C 107.541 -1.281 . . . . 0.45 107.541 174.637 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 91.5 t -51.52 -53.86 14.49 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 CA-C-N 115.488 -0.778 . . . . 0.57 110.275 177.429 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.48 -38.48 80.93 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.78 -0.645 . . . . 0.48 111.852 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -68.67 -33.64 76.54 Favored Glycine 0 C--O 1.214 -1.154 0 N-CA-C 111.007 -0.837 . . . . 0.37 111.007 179.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.476 ' O ' HG23 ' A' ' 15' ' ' VAL . 90.4 mt -67.59 -55.07 14.83 Favored 'General case' 0 C--N 1.306 -1.287 0 N-CA-C 109.055 -0.72 . . . . 0.33 109.055 175.344 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.413 ' HA ' ' HB ' ' A' ' 15' ' ' VAL . . . -59.82 -30.57 69.03 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.841 -1.072 . . . . 0.28 113.752 -175.051 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.637 ' HG3' HD12 ' A' ' 14' ' ' ILE . 12.2 pt-20 -66.07 -41.2 91.04 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.196 -0.602 . . . . 2.48 111.03 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.637 HD12 ' HG3' ' A' ' 13' ' ' GLU . 4.7 mp -77.86 -32.04 17.46 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.082 0 C-N-CA 118.906 -1.118 . . . . 0.44 109.312 176.103 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 11' ' ' LEU . 75.7 t -62.76 -30.09 48.58 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.397 0 CA-C-O 121.752 0.787 . . . . 0.34 110.448 177.1 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -68.89 -28.67 66.89 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 115.597 -0.729 . . . . 0.95 110.341 175.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -82.24 -42.86 18.36 Favored 'General case' 0 C--N 1.309 -1.177 0 CA-C-N 116.239 -0.437 . . . . 2.11 109.846 178.034 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.698 HG13 ' HB ' ' A' ' 46' ' ' VAL . 48.3 mm -62.8 -53.06 51.75 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 CA-C-N 115.908 -0.587 . . . . 0.71 110.706 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.402 ' HB3' HG12 ' A' ' 38' ' ' VAL . . . -118.04 -58.4 2.01 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-O 120.888 0.375 . . . . 0.68 110.633 -178.379 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 120.12 65.0 0.27 Allowed Glycine 0 N--CA 1.438 -1.169 0 C-N-CA 119.77 -1.205 . . . . 0.93 112.847 -179.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.432 HG13 HG12 ' A' ' 15' ' ' VAL . 1.9 pp -102.87 156.79 34.86 Favored Pre-proline 0 C--N 1.307 -1.245 0 N-CA-C 109.75 -0.463 . . . . 0.6 109.75 174.296 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.653 ' HB2' ' HB2' ' A' ' 25' ' ' ASP . 24.2 Cg_exo -64.93 128.48 20.88 Favored 'Trans proline' 0 N--CA 1.443 -1.452 0 C-N-CA 121.473 1.448 . . . . 0.75 108.975 174.673 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 12.2 p -74.42 -9.22 12.69 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.062 0 CA-C-O 122.206 1.003 . . . . 1.48 110.369 -175.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -92.51 -18.42 23.19 Favored 'General case' 0 C--N 1.305 -1.329 0 CA-C-N 114.554 -1.203 . . . . 2.03 109.958 177.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.653 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 24.8 t70 -84.7 -23.82 29.21 Favored 'General case' 0 CA--C 1.505 -0.771 0 CA-C-N 115.822 -0.626 . . . . 1.07 111.38 -170.476 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.839 ' HA ' ' HG3' ' A' ' 30' ' ' LYS . 38.9 t -78.52 87.13 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.299 -1.6 0 CA-C-O 121.803 0.811 . . . . 0.73 110.716 -176.61 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 47.8 mtmt -94.37 177.92 5.79 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 107.625 -1.25 . . . . 2.83 107.625 173.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.461 ' HA ' HG23 ' A' ' 69' ' ' VAL . 3.6 mm? -65.49 -15.35 62.57 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 113.165 0.802 . . . . 1.07 113.165 -174.182 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -85.29 0.49 51.81 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 111.835 0.309 . . . . 2.47 111.835 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.839 ' HG3' ' HA ' ' A' ' 26' ' ' VAL . 74.7 mmtt -84.81 128.15 34.47 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-N 116.326 -0.397 . . . . 1.06 111.836 -179.144 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.662 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 1.8 p -112.27 154.33 25.8 Favored 'General case' 0 C--N 1.288 -2.09 0 N-CA-C 107.04 -1.467 . . . . 1.31 107.04 173.192 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.658 ' CE1' ' H5A' ' A' ' 101' ' ' SXO . 77.2 m-85 -74.35 -53.48 9.57 Favored 'General case' 0 CA--C 1.479 -1.758 0 N-CA-C 112.645 0.609 . . . . 1.03 112.645 -161.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.55 HG21 ' HB3' ' A' ' 40' ' ' SER . 6.1 p -118.42 30.52 7.17 Favored 'General case' 0 N--CA 1.402 -2.87 0 C-N-CA 118.913 -1.115 . . . . 1.37 110.942 176.305 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.541 ' HB2' ' OG ' ' A' ' 31' ' ' SER . 16.4 m-20 -118.82 -36.64 3.4 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 114.911 -1.04 . . . . 2.31 108.874 176.003 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -123.09 -25.04 4.59 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 120.383 -0.527 . . . . 1.67 111.733 -179.056 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.627 HD12 ' HA ' ' A' ' 32' ' ' PHE . 89.9 mt -84.16 -175.79 5.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.037 0.446 . . . . 0.69 111.951 -177.14 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -129.89 77.84 1.81 Allowed 'General case' 0 CA--C 1.483 -1.603 0 CA-C-N 115.683 -0.69 . . . . 2.15 109.46 -177.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.402 HG12 ' HB3' ' A' ' 19' ' ' ALA . 27.2 m -134.95 175.76 10.3 Favored 'Isoleucine or valine' 0 N--CA 1.414 -2.229 0 CA-C-N 114.926 -1.034 . . . . 2.23 110.621 178.436 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.416 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 11.5 t70 -94.13 132.76 38.33 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 105.711 -1.959 . . . . 2.96 105.711 170.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.55 ' HB3' HG21 ' A' ' 33' ' ' THR . 66.6 p -65.19 -52.59 53.94 Favored 'General case' 0 C--N 1.293 -1.851 0 N-CA-C 112.133 0.42 . . . . 1.19 112.133 -174.323 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.0 mp -61.05 -27.4 68.31 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.547 0.689 . . . . 1.34 110.439 -178.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.416 ' HB2' ' HB3' ' A' ' 39' ' ' ASP . 25.2 m -79.8 -13.39 59.46 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 115.897 -0.592 . . . . 1.26 112.363 176.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.43 ' HA ' HG12 ' A' ' 46' ' ' VAL . 36.6 ttp -68.93 -24.79 64.32 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 107.782 -1.192 . . . . 0.97 107.782 174.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.461 ' HA ' HG12 ' A' ' 47' ' ' VAL . 47.3 t -66.43 -23.53 31.72 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.235 0 CA-C-N 114.663 -1.153 . . . . 0.65 109.579 178.141 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -78.9 -35.45 43.56 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 115.466 -0.788 . . . . 2.06 110.113 178.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.698 ' HB ' HG13 ' A' ' 18' ' ' ILE . 7.6 p -78.13 -41.2 26.67 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.438 0 O-C-N 121.872 -0.517 . . . . 1.43 111.496 178.744 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.495 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 7.5 p -61.27 -39.43 82.58 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 C-N-CA 120.819 -0.352 . . . . 0.53 111.594 -178.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.421 ' HA ' ' OE2' ' A' ' 51' ' ' GLU . 12.7 p -67.72 -25.55 33.03 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.823 0 CA-C-O 121.397 0.618 . . . . 0.65 110.824 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.54 ' O ' ' HG2' ' A' ' 53' ' ' ARG . . . -86.17 -26.19 25.29 Favored 'General case' 0 C--O 1.217 -0.618 0 CA-C-O 121.405 0.621 . . . . 0.32 109.766 177.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.22 -34.1 70.5 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-N 116.086 -0.506 . . . . 0.36 110.531 179.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.538 ' HA ' HG23 ' A' ' 56' ' ' VAL . 42.3 mt-10 -55.61 -45.75 77.43 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 115.853 -0.612 . . . . 0.78 110.882 178.496 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -76.64 -18.88 58.34 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 116.004 -0.544 . . . . 0.96 111.909 -178.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.54 ' HG2' ' O ' ' A' ' 49' ' ' ALA . 80.3 mmt-85 -80.29 -51.61 8.69 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.806 0.336 . . . . 3.85 110.614 179.165 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.443 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 46.9 m-85 -89.25 7.93 32.94 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 113.102 0.779 . . . . 0.4 113.102 -172.736 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 65.11 30.09 11.72 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 121.325 0.583 . . . . 1.95 111.383 178.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.538 HG23 ' HA ' ' A' ' 51' ' ' GLU . 17.3 m -114.64 -173.0 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.286 -0.87 . . . . 1.37 111.774 -178.418 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -148.66 129.26 14.04 Favored 'General case' 0 N--CA 1.421 -1.922 0 N-CA-C 105.52 -2.03 . . . . 3.34 105.52 171.013 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 45.9 mt -123.43 103.3 35.4 Favored Pre-proline 0 C--N 1.288 -2.1 0 N-CA-C 109.169 -0.678 . . . . 0.57 109.169 -175.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -63.92 138.42 62.81 Favored 'Trans proline' 0 N--CA 1.452 -0.92 0 C-N-CA 122.749 2.3 . . . . 0.63 111.007 178.184 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.48 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 6.2 m-20 -53.98 -36.36 62.82 Favored 'General case' 0 C--N 1.317 -0.845 0 C-N-CA 124.174 0.989 . . . . 2.3 113.196 -175.037 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -70.77 -32.57 69.75 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.565 -0.454 . . . . 2.38 111.299 -179.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -70.49 -35.63 73.36 Favored 'General case' 0 CA--C 1.505 -0.783 0 N-CA-C 109.607 -0.516 . . . . 1.52 109.607 177.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.617 ' O ' ' H2 ' ' A' ' 101' ' ' SXO . 94.5 t -56.76 -54.11 33.45 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.587 0 CA-C-N 115.098 -0.955 . . . . 0.79 109.109 176.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.48 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 66.5 mttm -61.07 -19.31 61.27 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.858 0.863 . . . . 1.24 111.694 -174.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -88.63 -12.67 41.89 Favored 'General case' 0 C--N 1.308 -1.237 0 CA-C-N 115.747 -0.66 . . . . 2.07 112.778 -178.296 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.445 HD22 ' HB3' ' A' ' 71' ' ' ASP . 87.7 mt -90.68 178.21 6.13 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 120.447 -0.501 . . . . 0.6 111.433 -177.384 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.478 ' HB2' ' OD1' ' A' ' 71' ' ' ASP . 9.9 mtmp? -130.36 -73.39 0.55 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.388 0.613 . . . . 2.69 111.745 -175.487 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.662 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 77.2 p -102.25 -172.44 2.14 Favored 'General case' 0 N--CA 1.434 -1.272 0 CA-C-O 121.238 0.542 . . . . 0.46 110.842 -175.665 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.474 HG12 ' CZ ' ' A' ' 32' ' ' PHE . 35.5 m -77.89 -13.51 14.0 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.33 0 N-CA-C 108.772 -0.825 . . . . 0.66 108.772 171.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.463 ' O ' ' HG2' ' A' ' 74' ' ' LYS . . . -73.18 -41.69 46.03 Favored Glycine 0 N--CA 1.435 -1.385 0 N-CA-C 108.504 -1.838 . . . . 0.46 108.504 174.448 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.478 ' OD1' ' HB2' ' A' ' 67' ' ' LYS . 5.1 m-20 -66.18 -40.58 90.57 Favored 'General case' 0 CA--C 1.508 -0.664 0 CA-C-O 121.578 0.704 . . . . 1.62 109.249 175.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.439 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -63.84 -48.96 74.68 Favored 'General case' 0 N--CA 1.437 -1.079 0 CA-C-N 114.851 -1.068 . . . . 0.51 109.849 -177.193 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.604 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 8.7 p -58.01 -50.52 73.15 Favored 'General case' 0 N--CA 1.427 -1.589 0 CA-C-O 118.827 -0.606 . . . . 0.46 112.444 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.463 ' HG2' ' O ' ' A' ' 70' ' ' GLY . 46.7 mmtm -49.55 -45.98 48.25 Favored 'General case' 0 N--CA 1.478 0.97 0 O-C-N 123.874 0.734 . . . . 3.54 111.241 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -70.01 -56.73 6.22 Favored 'General case' 0 C--O 1.243 0.751 0 CA-C-N 115.726 -0.67 . . . . 0.83 111.234 179.406 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 99.1 mt -57.99 -56.16 17.54 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.708 0 CA-C-N 115.798 -0.637 . . . . 0.65 112.041 -174.278 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.604 ' HG ' ' O ' ' A' ' 73' ' ' THR . 3.9 pp -60.1 -22.2 62.48 Favored 'General case' 0 CA--C 1.519 -0.224 0 N-CA-C 112.569 0.581 . . . . 1.74 112.569 -174.179 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -79.95 -36.46 36.16 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.449 0.643 . . . . 1.32 110.503 -179.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 54.2 m-70 -91.52 3.19 55.58 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 113.152 0.797 . . . . 2.89 113.152 -174.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -72.42 -178.29 2.5 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 121.934 0.873 . . . . 2.23 111.49 -178.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.417 -2.079 0 N-CA-C 106.412 -1.699 . . . . 3.38 106.412 171.528 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' SXO . . . . . 0.658 ' H5A' ' CE1' ' A' ' 32' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.395 0 N-CA-C 109.201 -0.666 . . . . 2.17 109.201 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -151.04 -175.22 5.06 Favored 'General case' 0 C--O 1.243 0.718 0 N-CA-C 109.426 -0.583 . . . . 1.12 109.426 -175.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.565 ' O ' HG12 ' A' ' 7' ' ' ILE . 0.9 OUTLIER -94.61 177.48 5.91 Favored 'General case' 0 C--O 1.205 -1.247 0 CA-C-O 118.761 -0.638 . . . . 1.57 110.623 -176.424 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.469 ' HG2' ' HB ' ' A' ' 73' ' ' THR . 49.5 mt-30 -45.25 -56.31 4.97 Favored 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 115.459 1.652 . . . . 1.76 115.459 -171.273 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -65.61 -38.73 90.3 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-O 121.391 0.615 . . . . 3.05 110.092 -176.219 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -70.2 -34.81 73.4 Favored 'General case' 0 C--N 1.306 -1.288 0 CA-C-N 114.818 -1.083 . . . . 2.53 109.319 -179.148 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.565 HG12 ' O ' ' A' ' 3' ' ' THR . 36.4 mm -64.09 -53.26 45.88 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.947 0 N-CA-C 108.366 -0.976 . . . . 0.45 108.366 175.426 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.528 ' HA ' HD12 ' A' ' 11' ' ' LEU . 78.0 t -53.03 -47.89 53.41 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 123.576 0.75 . . . . 0.57 110.768 178.765 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.45 -39.75 73.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.886 -0.597 . . . . 0.48 110.683 177.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.422 ' C ' ' HZ ' ' A' ' 54' ' ' PHE . . . -70.98 -43.73 56.95 Favored Glycine 0 C--O 1.214 -1.116 0 N-CA-C 110.767 -0.933 . . . . 0.37 110.767 178.119 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.528 HD12 ' HA ' ' A' ' 8' ' ' VAL . 94.9 mt -52.8 -48.28 67.01 Favored 'General case' 0 CA--C 1.5 -0.968 0 C-N-CA 123.935 0.894 . . . . 0.33 110.859 -179.503 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.68 -36.26 73.92 Favored 'General case' 0 C--O 1.214 -0.805 0 CA-C-N 115.381 -0.827 . . . . 0.28 111.851 -178.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -58.92 -34.27 71.51 Favored 'General case' 0 CA--C 1.517 -0.326 0 O-C-N 123.507 0.504 . . . . 2.48 110.68 -179.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.594 ' HB ' HG23 ' A' ' 46' ' ' VAL . 4.5 mp -84.83 -38.96 13.81 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.376 0 C-N-CA 119.426 -0.91 . . . . 0.44 109.238 176.3 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 11' ' ' LEU . 20.4 t -60.06 -23.89 28.49 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.203 0 O-C-N 121.928 -0.483 . . . . 0.34 111.023 179.376 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 20.7 m120 -63.17 -49.05 75.83 Favored 'General case' 0 CA--C 1.503 -0.85 0 O-C-N 121.879 -0.513 . . . . 0.95 111.361 174.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -78.11 -24.04 47.66 Favored 'General case' 0 C--N 1.304 -1.401 0 C-N-CA 120.344 -0.542 . . . . 2.11 111.73 -176.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.719 HG13 ' HB ' ' A' ' 46' ' ' VAL . 48.1 mm -80.61 -53.0 13.5 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 CA-C-N 116.336 -0.393 . . . . 0.71 110.153 179.224 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -117.18 -57.07 2.19 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-O 120.978 0.418 . . . . 0.68 111.146 -177.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 112.39 95.15 2.21 Favored Glycine 0 C--N 1.305 -1.184 0 N-CA-C 110.496 -1.042 . . . . 0.93 110.496 -176.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.7 pp -133.71 161.93 60.74 Favored Pre-proline 0 C--N 1.3 -1.565 0 N-CA-C 111.916 0.339 . . . . 0.6 111.916 -177.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -77.33 130.05 10.73 Favored 'Trans proline' 0 N--CA 1.437 -1.795 0 N-CA-C 108.07 -1.55 . . . . 0.75 108.07 170.095 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 27.5 m -68.83 -25.15 29.67 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.189 0 N-CA-C 111.969 0.359 . . . . 1.48 111.969 -176.257 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -83.07 -9.04 59.45 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-O 121.579 0.704 . . . . 2.03 110.273 177.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.703 ' O ' ' HE3' ' A' ' 30' ' ' LYS . 17.7 t70 -83.16 -37.23 23.98 Favored 'General case' 0 N--CA 1.432 -1.353 0 N-CA-C 108.113 -1.069 . . . . 1.07 108.113 178.675 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.423 HG12 HG13 ' A' ' 8' ' ' VAL . 33.1 t -72.75 86.64 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-O 121.801 0.81 . . . . 0.73 109.791 179.763 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.563 ' H ' ' HG3' ' A' ' 30' ' ' LYS . 59.2 mttp -97.1 -164.4 1.14 Allowed 'General case' 0 C--N 1.307 -1.273 0 CA-C-N 114.093 -1.412 . . . . 2.83 108.666 178.265 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -79.25 -33.25 43.74 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 113.582 0.956 . . . . 1.07 113.582 -177.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -97.63 71.28 2.26 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-O 122.523 1.154 . . . . 2.47 108.688 177.17 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.703 ' HE3' ' O ' ' A' ' 25' ' ' ASP . 62.3 mmtt -138.34 141.46 39.73 Favored 'General case' 0 C--N 1.305 -1.328 0 CA-C-N 113.279 -1.782 . . . . 1.06 110.073 -179.513 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.573 ' HB3' ' HB3' ' A' ' 34' ' ' ASP . 15.5 t -129.67 150.57 50.93 Favored 'General case' 0 C--N 1.28 -2.445 0 N-CA-C 107.329 -1.36 . . . . 1.31 107.329 175.323 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.621 ' HA ' HD12 ' A' ' 36' ' ' LEU . 85.6 m-85 -69.53 -42.96 73.95 Favored 'General case' 0 CA--C 1.493 -1.219 0 CA-C-O 121.267 0.556 . . . . 1.03 111.563 -166.394 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.552 ' HA ' HG22 ' A' ' 38' ' ' VAL . 34.7 p -110.91 28.82 8.34 Favored 'General case' 0 N--CA 1.405 -2.699 0 C-N-CA 119.594 -0.842 . . . . 1.37 111.787 -178.502 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.573 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 11.3 t70 -133.93 -43.28 0.81 Allowed 'General case' 0 C--N 1.29 -1.986 0 CA-C-N 115.398 -0.819 . . . . 2.31 110.392 178.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.418 ' HB3' ' HD3' ' A' ' 30' ' ' LYS . 1.2 t0 -119.87 0.13 10.78 Favored 'General case' 0 C--N 1.311 -1.096 0 C-N-CA 119.919 -0.712 . . . . 1.67 111.164 -175.52 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.621 HD12 ' HA ' ' A' ' 32' ' ' PHE . 35.4 mt -111.36 -163.75 0.87 Allowed 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.088 -0.645 . . . . 0.69 110.913 -176.397 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -64.01 -23.66 67.42 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.239 0.616 . . . . 2.15 110.267 179.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.552 HG22 ' HA ' ' A' ' 33' ' ' THR . 88.4 t 76.08 84.46 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.437 -1.1 0 C-N-CA 125.32 1.448 . . . . 2.23 112.298 179.034 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.908 ' HB2' ' HB3' ' A' ' 42' ' ' SER . 12.4 p-10 -108.38 102.5 11.6 Favored 'General case' 0 C--N 1.272 -2.797 0 N-CA-C 106.465 -1.68 . . . . 2.96 106.465 167.006 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.669 ' HB2' ' H28' ' A' ' 101' ' ' SXO . 81.6 p -81.55 -53.17 6.49 Favored 'General case' 0 C--N 1.286 -2.163 0 CA-C-N 115.346 -0.843 . . . . 1.19 112.103 -169.554 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.446 ' HA ' HD12 ' A' ' 41' ' ' LEU . 9.0 tp -88.79 -34.92 16.91 Favored 'General case' 0 N--CA 1.396 -3.15 0 CA-C-O 121.98 0.895 . . . . 1.34 109.734 179.729 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.908 ' HB3' ' HB2' ' A' ' 39' ' ' ASP . 28.1 t -63.1 -24.17 67.78 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-N 114.379 -1.282 . . . . 1.26 111.325 -178.207 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.518 ' HB2' ' O ' ' A' ' 39' ' ' ASP . 22.7 ttp -61.24 -22.15 64.54 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 120.911 0.386 . . . . 0.97 111.836 -178.36 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.495 ' HA ' HG12 ' A' ' 47' ' ' VAL . 60.5 t -56.89 -32.7 39.81 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 CA-C-O 121.369 0.604 . . . . 0.65 109.991 178.304 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -72.35 -37.11 68.9 Favored 'General case' 0 N--CA 1.432 -1.325 0 CA-C-N 115.889 -0.596 . . . . 2.06 111.749 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.719 ' HB ' HG13 ' A' ' 18' ' ' ILE . 7.5 p -77.56 -32.12 18.12 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.613 0 C-N-CA 119.792 -0.763 . . . . 1.43 111.209 178.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.495 HG12 ' HA ' ' A' ' 44' ' ' VAL . 14.1 p -70.94 -38.67 73.27 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 C-N-CA 119.329 -0.949 . . . . 0.53 111.098 178.572 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 9.1 p -70.43 -30.68 43.91 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.615 0 CA-C-O 121.426 0.632 . . . . 0.65 109.554 177.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.519 ' O ' ' HG2' ' A' ' 53' ' ' ARG . . . -74.01 -30.2 62.34 Favored 'General case' 0 C--O 1.211 -0.963 0 CA-C-N 116.034 -0.53 . . . . 0.32 110.227 177.517 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.33 -35.85 80.36 Favored 'General case' 0 C--N 1.31 -1.152 0 CA-C-O 120.745 0.307 . . . . 0.36 110.574 179.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.499 ' OE1' ' HG3' ' A' ' 57' ' ' LYS . 32.2 mt-10 -56.19 -56.06 25.5 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.303 0.573 . . . . 0.78 110.468 177.277 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -70.99 -25.7 62.82 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.186 -0.915 . . . . 0.96 112.626 -175.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.519 ' HG2' ' O ' ' A' ' 49' ' ' ALA . 25.4 mmt180 -88.25 -28.61 21.0 Favored 'General case' 0 C--N 1.318 -0.766 0 C-N-CA 120.554 -0.458 . . . . 3.85 112.132 -177.324 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.422 ' HZ ' ' C ' ' A' ' 10' ' ' GLY . 78.4 m-85 -111.41 11.5 21.49 Favored 'General case' 0 C--O 1.242 0.663 0 N-CA-C 113.397 0.888 . . . . 0.4 113.397 -175.128 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 66.53 30.23 8.63 Favored 'General case' 0 N--CA 1.496 1.842 0 C-N-CA 123.321 0.649 . . . . 1.95 110.451 178.233 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.694 HG22 ' H ' ' A' ' 57' ' ' LYS . 9.1 p -123.48 -175.01 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.299 -1.603 0 C-N-CA 120.419 -0.512 . . . . 1.37 110.164 -173.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.694 ' H ' HG22 ' A' ' 56' ' ' VAL . 13.9 ttmm -151.47 134.39 15.76 Favored 'General case' 0 N--CA 1.422 -1.843 0 N-CA-C 107.442 -1.318 . . . . 3.34 107.442 175.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 53.7 mt -133.63 113.59 13.02 Favored Pre-proline 0 C--N 1.31 -1.129 0 N-CA-C 109.381 -0.6 . . . . 0.57 109.381 -176.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.553 ' O ' HG23 ' A' ' 63' ' ' VAL . 39.0 Cg_exo -61.9 143.26 95.42 Favored 'Trans proline' 0 C--O 1.234 0.3 0 C-N-CA 123.303 2.669 . . . . 0.63 111.181 176.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -56.05 -38.49 70.68 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 124.009 0.924 . . . . 2.3 112.483 -175.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -76.08 -25.67 55.74 Favored 'General case' 0 C--N 1.315 -0.905 0 C-N-CA 120.517 -0.473 . . . . 2.38 111.999 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.44 ' HA ' ' HB3' ' A' ' 65' ' ' ASN . 2.2 t70 -79.25 -27.76 42.38 Favored 'General case' 0 C--O 1.219 -0.54 0 N-CA-C 108.607 -0.886 . . . . 1.52 108.607 -178.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 59' ' ' PRO . 58.8 t -57.34 -57.59 9.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 N-CA-C 108.266 -1.013 . . . . 0.79 108.266 174.235 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.45 ' HE3' H37A ' A' ' 101' ' ' SXO . 59.2 mttp -64.24 -17.1 63.26 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 115.198 -0.91 . . . . 1.24 110.933 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.44 ' HB3' ' HA ' ' A' ' 62' ' ' ASP . 2.3 t30 -76.72 -30.43 56.63 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 115.481 -0.781 . . . . 2.07 111.098 177.036 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.556 HD13 ' HA ' ' A' ' 72' ' ' ALA . 90.0 mt -82.77 -177.81 6.87 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.522 -0.547 . . . . 0.6 109.522 -178.547 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.571 ' HG3' ' OD2' ' A' ' 71' ' ' ASP . 19.2 pttp -143.45 -60.61 0.41 Allowed 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 113.023 0.749 . . . . 2.69 113.023 178.735 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.503 HG22 ' HB2' ' A' ' 31' ' ' SER . 48.5 p -101.63 -177.83 3.54 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 119.758 -0.777 . . . . 0.46 110.806 -178.617 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 28.7 m -77.78 -15.9 14.18 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.025 0 N-CA-C 109.029 -0.73 . . . . 0.66 109.029 173.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -74.82 -37.43 44.7 Favored Glycine 0 N--CA 1.432 -1.617 0 N-CA-C 109.602 -1.399 . . . . 0.46 109.602 177.345 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.571 ' OD2' ' HG3' ' A' ' 67' ' ' LYS . 20.5 m-20 -74.73 -34.41 62.56 Favored 'General case' 0 CA--C 1.507 -0.706 0 N-CA-C 108.832 -0.803 . . . . 1.62 108.832 177.715 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.556 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -66.58 -51.55 55.23 Favored 'General case' 0 N--CA 1.436 -1.166 0 CA-C-N 114.62 -1.173 . . . . 0.51 110.504 -177.118 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.549 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 19.6 p -56.45 -40.17 74.35 Favored 'General case' 0 N--CA 1.439 -1.024 0 O-C-N 123.671 0.607 . . . . 0.46 112.52 -178.345 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -59.02 -49.66 77.04 Favored 'General case' 0 CA--C 1.514 -0.425 0 O-C-N 123.606 0.566 . . . . 3.54 110.649 178.13 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -65.87 -41.5 91.54 Favored 'General case' 0 C--O 1.244 0.808 0 CA-C-O 121.223 0.535 . . . . 0.83 110.829 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.626 ' HA ' HG21 ' A' ' 56' ' ' VAL . 92.2 mt -59.69 -57.12 13.03 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.953 0 CA-C-N 115.673 -0.694 . . . . 0.65 111.078 179.522 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' A' ' 73' ' ' THR . 3.8 pp -64.38 -21.82 66.75 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.363 0.601 . . . . 1.74 112.462 -179.158 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -72.57 -41.79 65.34 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 115.122 -0.944 . . . . 1.32 110.556 178.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 55.5 m-70 -103.54 4.46 35.84 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 114.667 1.358 . . . . 2.89 114.667 -179.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.482 ' NE2' ' HA ' ' A' ' 77' ' ' LEU . 4.0 pt20 -71.99 139.83 48.8 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 118.072 0.396 . . . . 2.23 111.908 -176.479 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.26 1.648 0 C-N-CA 125.505 1.522 . . . . 3.38 111.785 175.575 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' SXO . . . . . 0.669 ' H28' ' HB2' ' A' ' 40' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.512 -0.493 0 CA-C-O 120.6 0.238 . . . . 2.17 110.372 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.564 ' HB1' ' HB2' ' A' ' 6' ' ' GLU . . . -136.21 161.68 35.08 Favored 'General case' 0 C--N 1.314 -0.974 0 N-CA-C 108.785 -0.82 . . . . 1.12 108.785 176.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.576 ' O ' HG12 ' A' ' 7' ' ' ILE . 14.6 t -89.09 176.12 7.11 Favored 'General case' 0 C--O 1.194 -1.863 0 C-N-CA 119.456 -0.898 . . . . 1.57 111.668 -177.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -57.76 -29.56 64.9 Favored 'General case' 0 CA--C 1.498 -1.037 0 O-C-N 123.934 0.771 . . . . 1.76 110.037 -178.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -69.38 -42.34 75.28 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-O 121.532 0.682 . . . . 3.05 110.687 -179.512 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.564 ' HB2' ' HB1' ' A' ' 2' ' ' ALA . 38.0 mt-10 -83.04 -24.66 32.68 Favored 'General case' 0 C--N 1.295 -1.799 0 CA-C-N 114.351 -1.295 . . . . 2.53 109.195 -177.471 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.576 HG12 ' O ' ' A' ' 3' ' ' THR . 34.6 mm -72.6 -51.79 26.53 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.047 0 N-CA-C 108.94 -0.763 . . . . 0.45 108.94 179.142 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.512 HG13 HG12 ' A' ' 26' ' ' VAL . 53.0 t -52.51 -46.97 48.69 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 CA-C-N 116.019 -0.537 . . . . 0.57 109.951 177.021 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.534 ' O ' ' HG3' ' A' ' 13' ' ' GLU . . . -53.91 -46.98 71.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.372 -0.831 . . . . 0.48 111.209 179.012 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.97 -43.29 96.13 Favored Glycine 0 C--N 1.338 0.648 0 N-CA-C 111.005 -0.838 . . . . 0.37 111.005 -178.203 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.426 HD21 HD11 ' A' ' 76' ' ' ILE . 96.9 mt -57.15 -47.82 80.22 Favored 'General case' 0 C--O 1.244 0.802 0 C-N-CA 123.443 0.697 . . . . 0.33 110.931 179.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.05 -23.53 62.16 Favored 'General case' 0 N--CA 1.429 -1.496 0 CA-C-N 115.327 -0.851 . . . . 0.28 112.216 -177.345 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.534 ' HG3' ' O ' ' A' ' 9' ' ' ALA . 49.0 mt-10 -62.91 -39.77 95.56 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-N 118.009 0.368 . . . . 2.48 110.681 176.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.862 ' HB ' HG23 ' A' ' 46' ' ' VAL . 5.3 mp -77.44 -47.99 25.26 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.937 0 C-N-CA 119.899 -0.721 . . . . 0.44 109.615 176.376 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.526 HG23 HG21 ' A' ' 46' ' ' VAL . 41.1 t -61.89 -23.8 32.41 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.418 0 CA-C-O 121.265 0.555 . . . . 0.34 112.187 -178.672 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -72.66 -34.49 67.29 Favored 'General case' 0 C--O 1.213 -0.847 0 O-C-N 121.369 -0.832 . . . . 0.95 110.086 176.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -75.29 -38.64 60.26 Favored 'General case' 0 C--N 1.313 -0.988 0 N-CA-C 109.121 -0.696 . . . . 2.11 109.121 177.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 40.0 mm -74.87 -53.9 15.52 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.936 0 CA-C-N 115.43 -0.804 . . . . 0.71 112.135 -178.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -113.12 -32.84 6.2 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 113.12 0.785 . . . . 0.68 113.12 -174.04 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.97 30.57 7.03 Favored Glycine 0 C--N 1.313 -0.726 0 C-N-CA 119.775 -1.202 . . . . 0.93 114.396 176.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.503 HD11 ' HB ' ' A' ' 15' ' ' VAL . 1.9 pp -82.59 140.68 44.51 Favored Pre-proline 0 C--N 1.314 -0.957 0 CA-C-N 117.25 0.525 . . . . 0.6 111.915 176.394 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 21' ' ' ILE . 16.6 Cg_exo -64.5 142.56 78.63 Favored 'Trans proline' 0 N--CA 1.452 -0.963 0 C-N-CA 122.579 2.186 . . . . 0.75 110.374 175.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.7 m -76.05 -5.82 7.88 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.224 0 CA-C-O 121.504 0.669 . . . . 1.48 110.984 179.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -85.17 -21.55 29.14 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-N 115.281 -0.872 . . . . 2.03 108.747 175.144 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -82.66 -37.3 25.05 Favored 'General case' 0 CA--C 1.503 -0.857 0 CA-C-N 115.558 -0.747 . . . . 1.07 109.45 -176.336 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.512 HG12 HG13 ' A' ' 8' ' ' VAL . 27.9 t -73.2 87.43 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.047 0 CA-C-N 114.91 -1.041 . . . . 0.73 111.246 -176.159 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.511 ' H ' ' HG2' ' A' ' 30' ' ' LYS . 95.6 mttt -107.81 166.15 10.91 Favored 'General case' 0 C--N 1.293 -1.872 0 N-CA-C 107.091 -1.448 . . . . 2.83 107.091 174.235 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.417 ' HA ' HG23 ' A' ' 69' ' ' VAL . 3.7 mm? -49.28 -40.66 35.43 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 115.947 1.832 . . . . 1.07 115.947 -169.554 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -88.78 16.2 7.17 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 114.022 1.119 . . . . 2.47 114.022 -176.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.568 ' HD2' ' OD2' ' A' ' 35' ' ' ASP . 18.7 mmtp -84.71 124.59 31.68 Favored 'General case' 0 C--N 1.314 -0.936 0 C-N-CA 119.62 -0.832 . . . . 1.06 110.165 176.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.737 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 7.3 t -95.87 144.56 26.11 Favored 'General case' 0 C--N 1.295 -1.774 0 N-CA-C 109.086 -0.709 . . . . 1.31 109.086 177.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.649 ' HA ' HD12 ' A' ' 36' ' ' LEU . 98.0 m-85 -71.37 24.33 0.04 OUTLIER 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 124.297 1.039 . . . . 1.03 112.855 -176.433 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.756 ' HB ' ' HB3' ' A' ' 40' ' ' SER . 9.7 t -172.48 -48.34 0.02 OUTLIER 'General case' 0 N--CA 1.439 -1.018 0 C-N-CA 122.764 0.425 . . . . 1.37 110.738 175.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.484 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 13.4 t70 -62.05 -39.17 91.44 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-O 121.649 0.738 . . . . 2.31 109.784 -178.757 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.568 ' OD2' ' HD2' ' A' ' 30' ' ' LYS . 20.4 t70 -105.55 -58.05 1.95 Allowed 'General case' 0 C--N 1.308 -1.22 0 CA-C-N 115.541 -0.754 . . . . 1.67 111.27 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.649 HD12 ' HA ' ' A' ' 32' ' ' PHE . 75.2 mt -57.91 147.04 30.07 Favored 'General case' 0 CA--C 1.5 -0.964 0 N-CA-C 114.176 1.176 . . . . 0.69 114.176 -171.517 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -89.74 65.8 6.92 Favored 'General case' 0 C--N 1.296 -1.741 0 CA-C-N 113.613 -1.63 . . . . 2.15 108.089 -177.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.487 HG23 ' H ' ' A' ' 40' ' ' SER . 30.9 m -130.07 -172.33 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.402 -2.831 0 CA-C-N 112.891 -1.958 . . . . 2.23 109.393 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -117.13 25.14 10.69 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-O 121.296 0.569 . . . . 2.96 109.686 175.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.756 ' HB3' ' HB ' ' A' ' 33' ' ' THR . 95.2 p 61.93 -71.25 0.04 OUTLIER 'General case' 0 C--N 1.317 -0.833 0 C-N-CA 127.298 2.239 . . . . 1.19 114.481 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.1 mp -45.9 -24.35 0.39 Allowed 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 125.62 1.568 . . . . 1.34 114.024 -175.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.0 m -60.05 -26.91 66.51 Favored 'General case' 0 C--N 1.304 -1.396 0 C-N-CA 123.702 0.801 . . . . 1.26 111.421 177.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.563 ' SD ' ' H5A' ' A' ' 101' ' ' SXO . 9.3 tmm? -62.13 -22.48 65.87 Favored 'General case' 0 C--O 1.216 -0.7 0 C-N-CA 124.016 0.926 . . . . 0.97 110.66 -179.241 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 58.9 t -56.69 -26.93 24.63 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.108 0 CA-C-O 121.257 0.551 . . . . 0.65 111.113 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -81.1 -28.55 35.17 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 116.23 -0.441 . . . . 2.06 112.037 176.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.862 HG23 ' HB ' ' A' ' 14' ' ' ILE . 12.5 p -82.22 -34.25 12.12 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.076 0 C-N-CA 120.43 -0.508 . . . . 1.43 110.764 -178.558 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.421 ' O ' ' HG2' ' A' ' 51' ' ' GLU . 11.5 p -62.59 -42.46 96.01 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 C-N-CA 120.175 -0.61 . . . . 0.53 111.061 179.537 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 9.3 p -73.86 -21.37 18.13 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.723 0 CA-C-O 121.707 0.765 . . . . 0.65 110.425 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -86.15 -22.85 26.8 Favored 'General case' 0 C--O 1.21 -1.023 0 CA-C-N 115.867 -0.606 . . . . 0.32 110.124 178.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.11 -32.16 66.71 Favored 'General case' 0 C--N 1.305 -1.349 0 CA-C-N 116.359 -0.382 . . . . 0.36 110.008 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.506 ' CD ' ' H ' ' A' ' 58' ' ' ILE . 5.5 mm-40 -50.91 -55.81 15.33 Favored 'General case' 0 C--N 1.314 -0.963 0 C-N-CA 124.628 1.171 . . . . 0.78 110.514 178.553 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -75.38 -27.98 59.32 Favored 'General case' 0 C--N 1.306 -1.297 0 CA-C-N 114.518 -1.219 . . . . 0.96 111.733 -178.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.0 tpm_? -84.99 -36.88 21.03 Favored 'General case' 0 N--CA 1.437 -1.108 0 N-CA-C 112.462 0.542 . . . . 3.85 112.462 -171.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -108.72 6.72 25.95 Favored 'General case' 0 C--N 1.312 -1.057 0 N-CA-C 112.794 0.664 . . . . 0.4 112.794 -175.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 67.38 36.87 3.72 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 123.745 0.653 . . . . 1.95 110.965 -179.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.49 HG23 ' HA ' ' A' ' 51' ' ' GLU . 22.3 m -114.3 -170.46 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.104 0 CA-C-N 116.204 -0.453 . . . . 1.37 112.038 -178.576 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -167.08 101.62 0.53 Allowed 'General case' 0 C--O 1.247 0.94 0 N-CA-C 106.545 -1.65 . . . . 3.34 106.545 179.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.506 ' H ' ' CD ' ' A' ' 51' ' ' GLU . 33.1 mt -108.17 118.99 51.19 Favored Pre-proline 0 C--N 1.287 -2.141 0 CA-C-N 114.846 -1.07 . . . . 0.57 109.791 -172.766 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.454 ' O ' HG23 ' A' ' 63' ' ' VAL . 27.5 Cg_exo -62.41 129.59 27.27 Favored 'Trans proline' 0 N--CA 1.454 -0.813 0 C-N-CA 122.528 2.152 . . . . 0.63 110.115 176.176 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -50.11 -39.68 43.56 Favored 'General case' 0 N--CA 1.48 1.073 0 N-CA-C 115.351 1.611 . . . . 2.3 115.351 -173.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -83.11 -25.3 32.09 Favored 'General case' 0 C--N 1.305 -1.337 0 C-N-CA 119.086 -1.046 . . . . 2.38 112.874 177.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -71.26 -25.05 62.29 Favored 'General case' 0 C--N 1.314 -0.967 0 N-CA-C 109.529 -0.545 . . . . 1.52 109.529 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 59' ' ' PRO . 58.2 t -55.59 -45.04 78.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 CA-C-N 114.992 -1.004 . . . . 0.79 109.749 174.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -63.88 -8.65 11.73 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-N 115.174 -0.921 . . . . 1.24 113.421 -173.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 56.0 t30 -83.16 -20.11 35.36 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-O 121.138 0.494 . . . . 2.07 109.672 178.028 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 62.1 mt -84.55 176.24 8.75 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.823 -0.806 . . . . 0.6 108.823 -178.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.2 pttm -158.48 -55.32 0.07 Allowed 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 112.613 0.597 . . . . 2.69 112.613 -176.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.737 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 57.9 p -97.49 175.58 6.17 Favored 'General case' 0 N--CA 1.431 -1.392 0 C-N-CA 119.834 -0.746 . . . . 0.46 109.83 179.021 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.531 HG12 ' CZ ' ' A' ' 32' ' ' PHE . 33.4 m -76.28 -13.27 14.7 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.184 0 C-N-CA 120.451 -0.5 . . . . 0.66 110.024 175.266 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -75.8 -27.38 62.89 Favored Glycine 0 N--CA 1.442 -0.918 0 N-CA-C 110.442 -1.063 . . . . 0.46 110.442 174.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -78.37 -38.98 40.54 Favored 'General case' 0 CA--C 1.504 -0.82 0 N-CA-C 107.921 -1.14 . . . . 1.62 107.921 174.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.82 -53.1 56.11 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 114.737 -1.12 . . . . 0.51 110.812 -176.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.515 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 7.2 p -54.48 -55.03 33.19 Favored 'General case' 0 N--CA 1.447 -0.593 0 O-C-N 123.679 0.612 . . . . 0.46 111.553 179.324 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.7 tppt? -55.26 -42.54 73.63 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 124.212 0.945 . . . . 3.54 110.901 -179.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.502 ' HE1' HG12 ' A' ' 58' ' ' ILE . 39.8 t80 -65.76 -46.95 76.89 Favored 'General case' 0 C--O 1.242 0.685 0 CA-C-O 120.919 0.39 . . . . 0.83 110.337 178.683 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.426 HD11 HD21 ' A' ' 11' ' ' LEU . 83.4 mt -59.62 -59.62 3.67 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.59 0 CA-C-N 115.889 -0.596 . . . . 0.65 111.343 -179.566 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.515 ' HG ' ' O ' ' A' ' 73' ' ' THR . 3.5 pp -58.16 -22.61 52.04 Favored 'General case' 0 C--O 1.221 -0.401 0 N-CA-C 112.726 0.639 . . . . 1.74 112.726 -177.146 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -72.1 -35.91 69.33 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-N 115.323 -0.853 . . . . 1.32 111.02 178.124 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.425 ' HD2' ' HA ' ' A' ' 56' ' ' VAL . 24.2 t60 -102.5 -16.94 15.99 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 116.011 -0.54 . . . . 2.89 112.042 -175.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.422 ' HG2' ' HA ' ' A' ' 77' ' ' LEU . 26.6 pt20 -70.92 158.06 37.09 Favored 'General case' 0 C--O 1.251 1.171 0 CA-C-O 120.936 0.398 . . . . 2.23 111.075 -175.514 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.426 -1.65 0 N-CA-C 108.105 -1.072 . . . . 3.38 108.105 177.099 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' SXO . . . . . 0.719 ' H42' ' HB2' ' A' ' 40' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.553 0 N-CA-C 109.527 -0.546 . . . . 2.17 109.527 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -140.76 -156.83 0.71 Allowed 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 107.657 -1.238 . . . . 1.12 107.657 -177.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.422 HG22 ' H ' ' A' ' 4' ' ' GLN . 26.2 m -145.16 170.82 15.49 Favored 'General case' 0 C--N 1.307 -1.281 0 N-CA-C 107.987 -1.116 . . . . 1.57 107.987 174.713 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.422 ' H ' HG22 ' A' ' 3' ' ' THR . 15.5 pt20 -47.22 -52.47 15.77 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 114.649 1.352 . . . . 1.76 114.649 -177.018 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -63.64 -44.44 93.86 Favored 'General case' 0 C--O 1.216 -0.685 0 N-CA-C 110.133 -0.321 . . . . 3.05 110.133 -176.013 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -59.27 -38.26 79.67 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 123.631 0.772 . . . . 2.53 111.781 176.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 41.7 mm -68.41 -50.14 59.63 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 N-CA-C 109.214 -0.661 . . . . 0.45 109.214 177.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.442 ' HA ' HD12 ' A' ' 11' ' ' LEU . 93.2 t -59.24 -39.28 78.37 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.036 0 CA-C-O 121.217 0.532 . . . . 0.57 110.839 178.517 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.26 -25.56 66.13 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 123.03 0.532 . . . . 0.48 111.119 177.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -77.52 -44.65 12.44 Favored Glycine 0 N--CA 1.438 -1.204 0 N-CA-C 109.555 -1.418 . . . . 0.37 109.555 175.074 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.442 HD12 ' HA ' ' A' ' 8' ' ' VAL . 95.3 mt -55.51 -47.01 76.91 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.723 0.809 . . . . 0.33 111.136 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.77 -25.17 67.81 Favored 'General case' 0 C--O 1.214 -0.814 0 CA-C-N 115.599 -0.728 . . . . 0.28 112.736 -177.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -61.65 -48.7 79.64 Favored 'General case' 0 C--O 1.25 1.123 0 C-N-CA 121.207 -0.197 . . . . 2.48 110.534 176.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.547 HG21 ' HA ' ' A' ' 46' ' ' VAL . 3.6 mp -73.62 -39.79 53.99 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 109.037 -0.727 . . . . 0.44 109.037 179.662 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.471 HG12 ' CG1' ' A' ' 21' ' ' ILE . 61.7 t -64.26 -29.33 47.05 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.028 0 C-N-CA 119.946 -0.702 . . . . 0.34 111.879 179.162 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -69.84 -41.82 74.41 Favored 'General case' 0 C--N 1.319 -0.759 0 O-C-N 121.555 -0.715 . . . . 0.95 110.591 175.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.476 ' HG2' ' HA ' ' A' ' 14' ' ' ILE . 10.7 pt-20 -74.55 -23.85 58.85 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.145 -0.622 . . . . 2.11 111.628 -178.783 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 47.1 mm -92.29 -54.47 7.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 C-N-CA 120.907 -0.317 . . . . 0.71 111.229 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -102.24 -26.98 13.13 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 113.253 0.835 . . . . 0.68 113.253 -171.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 86.78 44.27 5.81 Favored Glycine 0 C--N 1.314 -0.681 0 C-N-CA 120.34 -0.933 . . . . 0.93 113.041 178.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.471 ' CG1' HG12 ' A' ' 15' ' ' VAL . 2.6 pp -89.09 155.84 49.32 Favored Pre-proline 0 C--N 1.308 -1.207 0 O-C-N 122.686 -0.302 . . . . 0.6 111.643 179.355 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -78.7 138.58 15.2 Favored 'Trans proline' 0 N--CA 1.442 -1.518 0 C-N-CA 122.421 2.081 . . . . 0.75 108.947 172.222 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.2 m -85.91 23.93 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.58 0 CA-C-O 121.969 0.89 . . . . 1.48 113.137 -174.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -110.87 -17.05 13.41 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 107.01 -1.478 . . . . 2.03 107.01 174.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.583 ' O ' ' HE3' ' A' ' 30' ' ' LYS . 3.9 t70 -87.57 -47.83 8.4 Favored 'General case' 0 N--CA 1.441 -0.908 0 CA-C-N 114.7 -1.136 . . . . 1.07 110.502 -171.041 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 46.4 t -68.53 93.46 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.427 -0.806 . . . . 0.73 111.003 -177.104 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.435 ' H ' ' HG3' ' A' ' 30' ' ' LYS . 52.6 mtmt -124.14 178.57 5.26 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 107.895 -1.15 . . . . 2.83 107.895 175.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -51.95 -41.33 61.98 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 114.969 1.47 . . . . 1.07 114.969 -174.149 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -91.31 68.72 5.93 Favored 'General case' 0 C--N 1.312 -1.061 0 C-N-CA 119.18 -1.008 . . . . 2.47 111.08 179.324 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.583 ' HE3' ' O ' ' A' ' 25' ' ' ASP . 66.6 mmtt -143.07 154.5 44.01 Favored 'General case' 0 C--N 1.303 -1.425 0 CA-C-N 114.064 -1.425 . . . . 1.06 108.821 176.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.528 ' OG ' ' HB3' ' A' ' 34' ' ' ASP . 7.4 p -136.01 148.42 48.4 Favored 'General case' 0 C--N 1.287 -2.128 0 N-CA-C 106.492 -1.67 . . . . 1.31 106.492 174.6 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.474 ' O ' ' HB2' ' A' ' 36' ' ' LEU . 99.0 m-85 -66.07 -45.83 79.88 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 114.76 1.393 . . . . 1.03 114.76 -167.781 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.413 HG21 ' HB3' ' A' ' 40' ' ' SER . 8.9 t -120.42 30.86 6.73 Favored 'General case' 0 C--N 1.295 -1.784 0 C-N-CA 118.314 -1.354 . . . . 1.37 112.031 -177.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.528 ' HB3' ' OG ' ' A' ' 31' ' ' SER . 11.7 t70 -128.42 -61.76 1.06 Allowed 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 108.335 -0.987 . . . . 2.31 108.335 175.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -81.85 -34.16 30.26 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 108.688 -0.856 . . . . 1.67 108.688 176.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.477 ' HB3' HG23 ' A' ' 38' ' ' VAL . 91.8 mt -100.16 176.0 5.54 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 116.139 -0.482 . . . . 0.69 110.054 -178.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -109.98 22.45 15.6 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-O 121.814 0.816 . . . . 2.15 109.19 -178.087 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.477 HG23 ' HB3' ' A' ' 36' ' ' LEU . 33.1 t -79.5 106.05 9.92 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.568 0 CA-C-N 114.802 -1.09 . . . . 2.23 108.53 -178.006 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -55.19 126.87 26.64 Favored 'General case' 0 C--N 1.316 -0.851 0 O-C-N 123.862 0.726 . . . . 2.96 109.519 177.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.43 ' O ' HG23 ' A' ' 44' ' ' VAL . 62.1 p -58.11 -47.79 82.18 Favored 'General case' 0 C--N 1.298 -1.657 0 C-N-CA 124.596 1.158 . . . . 1.19 113.364 -173.496 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.6 mp -61.37 -26.8 68.07 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-O 121.601 0.715 . . . . 1.34 109.969 179.068 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 58.1 m -84.32 -25.23 29.41 Favored 'General case' 0 N--CA 1.436 -1.144 0 CA-C-N 115.349 -0.842 . . . . 1.26 111.121 177.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.408 ' O ' ' HB ' ' A' ' 46' ' ' VAL . 7.3 tmm? -70.15 -24.01 63.09 Favored 'General case' 0 C--O 1.217 -0.623 0 N-CA-C 107.795 -1.187 . . . . 0.97 107.795 178.399 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.496 ' HA ' HG12 ' A' ' 47' ' ' VAL . 25.9 t -63.29 -26.42 40.81 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.36 0 CA-C-N 115.119 -0.946 . . . . 0.65 109.053 175.298 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -81.44 -18.9 43.71 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.716 0.77 . . . . 2.06 109.553 177.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.547 ' HA ' HG21 ' A' ' 14' ' ' ILE . 88.2 t -78.99 -56.08 8.09 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.276 0 N-CA-C 108.177 -1.045 . . . . 1.43 108.177 175.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.541 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 14.8 p -56.89 -33.47 41.74 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 N-CA-C 112.968 0.729 . . . . 0.53 112.968 -177.661 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 12.7 p -67.11 -27.98 41.19 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.11 0 C-N-CA 120.017 -0.673 . . . . 0.65 110.511 178.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -86.45 -23.36 26.05 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.699 0.762 . . . . 0.32 109.267 176.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.39 -37.38 71.57 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 115.728 -0.669 . . . . 0.36 110.575 179.041 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.541 ' HG3' ' O ' ' A' ' 47' ' ' VAL . 39.6 mt-10 -57.82 -48.42 79.8 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.318 0.58 . . . . 0.78 110.385 178.311 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -73.23 -35.42 66.28 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.674 -0.694 . . . . 0.96 112.124 -179.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.45 ' HA ' ' HD2' ' A' ' 53' ' ' ARG . 13.3 tpt180 -72.01 -52.1 18.62 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 120.847 0.356 . . . . 3.85 111.85 -178.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -86.92 2.88 47.83 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 116.099 -0.501 . . . . 0.4 111.894 -174.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 26.7 t70 66.38 10.76 7.5 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.256 1.022 . . . . 1.95 111.914 173.165 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.539 ' O ' ' HA ' ' A' ' 51' ' ' GLU . 4.5 p -119.65 121.32 65.94 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.422 0 CA-C-N 115.596 -0.729 . . . . 1.37 109.533 -176.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -70.94 126.87 30.76 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 115.562 -0.745 . . . . 3.34 109.308 179.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.466 ' H ' ' HG2' ' A' ' 51' ' ' GLU . 24.9 mt -129.69 95.78 28.47 Favored Pre-proline 0 C--N 1.298 -1.646 0 N-CA-C 107.615 -1.254 . . . . 0.57 107.615 -176.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.417 ' O ' HG23 ' A' ' 63' ' ' VAL . 31.6 Cg_exo -62.4 125.25 15.84 Favored 'Trans proline' 0 N--CA 1.453 -0.863 0 C-N-CA 122.274 1.983 . . . . 0.63 110.197 -179.424 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.622 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 7.2 p-10 -58.86 -25.75 63.59 Favored 'General case' 0 C--O 1.216 -0.698 0 O-C-N 123.245 0.341 . . . . 2.3 111.13 -177.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -62.81 -34.93 78.33 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 122.768 0.427 . . . . 2.38 111.004 176.119 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -84.11 -30.4 25.98 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 108.826 -0.805 . . . . 1.52 108.826 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.928 HG13 ' H5 ' ' A' ' 101' ' ' SXO . 91.8 t -59.05 -23.87 25.51 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 CA-C-N 114.829 -1.078 . . . . 0.79 110.833 177.051 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.622 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 92.7 mttt -75.54 -3.07 32.05 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.605 -0.725 . . . . 1.24 111.161 -178.144 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 59.9 m-20 -98.54 -20.81 16.84 Favored 'General case' 0 CA--C 1.509 -0.632 0 N-CA-C 109.56 -0.533 . . . . 2.07 109.56 177.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.694 ' HB2' ' H4 ' ' A' ' 101' ' ' SXO . 55.3 mt -86.22 162.31 18.37 Favored 'General case' 0 N--CA 1.439 -1.008 0 C-N-CA 120.692 -0.403 . . . . 0.6 110.915 -172.504 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 51.3 mtpt -131.03 -62.82 0.88 Allowed 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 112.669 0.618 . . . . 2.69 112.669 -176.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 63.2 p -93.09 177.0 6.2 Favored 'General case' 0 C--N 1.306 -1.296 0 C-N-CA 119.925 -0.71 . . . . 0.46 111.216 -178.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.451 HG12 ' CE2' ' A' ' 32' ' ' PHE . 24.1 m -83.97 -16.79 10.75 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.084 0 N-CA-C 109.963 -0.384 . . . . 0.66 109.963 177.334 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -78.6 -29.08 53.71 Favored Glycine 0 N--CA 1.443 -0.834 0 N-CA-C 109.044 -1.622 . . . . 0.46 109.044 174.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -77.73 -28.69 50.85 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 114.274 -0.963 . . . . 1.62 108.745 175.144 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.598 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -73.44 -49.38 27.22 Favored 'General case' 0 C--O 1.245 0.843 0 CA-C-N 115.173 -0.921 . . . . 0.51 110.592 178.32 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.486 ' O ' ' HB2' ' A' ' 77' ' ' LEU . 7.7 p -56.68 -37.89 71.5 Favored 'General case' 0 C--O 1.19 -2.068 0 CA-C-N 116.121 -0.49 . . . . 0.46 111.099 178.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.9 ttpp -51.61 -35.71 42.86 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 123.89 0.876 . . . . 3.54 112.986 179.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -76.67 -54.87 6.07 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.797 0.808 . . . . 0.83 108.987 177.34 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 93.5 mt -55.14 -46.9 77.77 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.089 0 C-N-CA 125.26 1.424 . . . . 0.65 112.123 -177.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.7 HD12 HE21 ' A' ' 80' ' ' GLN . 14.1 tp -51.68 -23.32 4.28 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 127.472 2.309 . . . . 1.74 112.181 -176.14 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -67.5 -41.2 84.87 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.286 0.565 . . . . 1.32 110.863 -178.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -103.28 -56.62 2.18 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-N 116.165 -0.47 . . . . 2.89 111.93 -179.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.7 HE21 HD12 ' A' ' 77' ' ' LEU . 95.5 mt-30 60.65 -177.14 0.11 Allowed 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.449 1.1 . . . . 2.23 113.248 -177.002 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.427 -1.596 0 N-CA-C 107.544 -1.28 . . . . 3.38 107.544 179.097 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' SXO . . . . . 0.928 ' H5 ' HG13 ' A' ' 63' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.578 0 CA-C-O 120.548 0.213 . . . . 2.17 110.691 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.432 ' HB1' ' HB2' ' A' ' 6' ' ' GLU . . . -78.21 163.94 25.36 Favored 'General case' 0 C--O 1.214 -0.783 0 C-N-CA 123.903 0.881 . . . . 1.12 110.591 -178.284 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.59 ' O ' HG12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -102.31 -174.2 2.51 Favored 'General case' 0 C--N 1.306 -1.299 0 C-N-CA 119.356 -0.938 . . . . 1.57 112.744 -174.018 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -44.51 -53.88 6.57 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 114.957 1.466 . . . . 1.76 114.957 -169.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -66.68 -40.97 88.77 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.193 0.521 . . . . 3.05 110.39 -176.016 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.432 ' HB2' ' HB1' ' A' ' 2' ' ' ALA . 1.4 mp0 -65.9 -34.48 78.23 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.147 -0.933 . . . . 2.53 109.836 177.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.59 HG12 ' O ' ' A' ' 3' ' ' THR . 44.7 mm -61.57 -57.7 10.92 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.789 0 N-CA-C 108.876 -0.787 . . . . 0.45 108.876 177.212 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 70.9 t -51.18 -51.41 22.7 Favored 'Isoleucine or valine' 0 C--O 1.243 0.736 0 C-N-CA 123.568 0.747 . . . . 0.57 110.625 178.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.45 -32.44 71.38 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.814 -0.63 . . . . 0.48 111.649 179.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.456 ' C ' ' HZ ' ' A' ' 54' ' ' PHE . . . -77.83 -40.61 21.19 Favored Glycine 0 C--O 1.216 -0.984 0 N-CA-C 111.473 -0.651 . . . . 0.37 111.473 178.765 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' A' ' 7' ' ' ILE . 95.9 mt -54.39 -46.25 73.05 Favored 'General case' 0 CA--C 1.506 -0.725 0 C-N-CA 123.558 0.743 . . . . 0.33 110.497 -179.452 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.415 ' HB2' ' HB ' ' A' ' 26' ' ' VAL . . . -64.98 -23.66 67.28 Favored 'General case' 0 C--O 1.199 -1.599 0 CA-C-N 115.338 -0.846 . . . . 0.28 112.211 -179.501 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -66.69 -43.2 85.06 Favored 'General case' 0 CA--C 1.503 -0.85 0 CA-C-O 120.719 0.295 . . . . 2.48 110.243 178.118 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.601 HG21 ' HA ' ' A' ' 46' ' ' VAL . 4.2 mp -74.21 -39.92 50.14 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.049 0 N-CA-C 108.604 -0.887 . . . . 0.44 108.604 177.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.447 HG12 ' CG1' ' A' ' 21' ' ' ILE . 40.4 t -65.88 -24.03 33.37 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.378 0 C-N-CA 119.987 -0.685 . . . . 0.34 111.026 179.183 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -71.58 -47.72 52.98 Favored 'General case' 0 C--O 1.213 -0.833 0 CA-C-N 116.313 -0.403 . . . . 0.95 110.742 176.269 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -69.09 -23.77 64.05 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.107 0.479 . . . . 2.11 111.553 -178.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 39.9 mm -89.55 -53.63 8.99 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.067 0 CA-C-N 115.894 -0.594 . . . . 0.71 111.832 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -111.28 -5.78 14.63 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 114.51 1.3 . . . . 0.68 114.51 -172.293 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.3 44.48 74.72 Favored Glycine 0 C--N 1.311 -0.826 0 C-N-CA 120.751 -0.738 . . . . 0.93 113.028 -179.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.447 ' CG1' HG12 ' A' ' 15' ' ' VAL . 2.6 pp -94.79 155.92 38.76 Favored Pre-proline 0 C--N 1.306 -1.294 0 O-C-N 122.331 -0.511 . . . . 0.6 111.142 177.734 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_exo -67.76 137.3 41.51 Favored 'Trans proline' 0 N--CA 1.448 -1.175 0 C-N-CA 121.951 1.767 . . . . 0.75 108.803 172.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 35.6 m -85.31 12.4 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.37 0 CA-C-O 122.259 1.028 . . . . 1.48 112.245 -174.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -114.96 -2.72 12.78 Favored 'General case' 0 C--N 1.286 -2.175 0 CA-C-N 114.112 -1.404 . . . . 2.03 108.396 176.491 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.444 ' O ' ' HE3' ' A' ' 30' ' ' LYS . 22.2 t70 -80.7 -42.73 21.47 Favored 'General case' 0 CA--C 1.508 -0.647 0 CA-C-N 115.05 -0.977 . . . . 1.07 108.569 -179.027 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.415 ' HB ' ' HB2' ' A' ' 12' ' ' ALA . 44.9 t -74.95 88.43 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.314 -0.976 0 CA-C-N 114.627 -1.17 . . . . 0.73 110.106 -179.131 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.407 ' HA ' ' HD3' ' A' ' 27' ' ' LYS . 32.8 mmtp -115.01 177.54 4.61 Favored 'General case' 0 C--N 1.31 -1.12 0 N-CA-C 108.845 -0.798 . . . . 2.83 108.845 173.178 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -49.89 -33.51 17.46 Favored 'General case' 0 N--CA 1.486 1.325 0 N-CA-C 115.935 1.828 . . . . 1.07 115.935 -170.405 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -88.41 10.47 19.91 Favored 'General case' 0 C--N 1.309 -1.153 0 N-CA-C 113.495 0.924 . . . . 2.47 113.495 -177.107 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.78 ' HD3' ' HB3' ' A' ' 35' ' ' ASP . 45.0 mmtt -93.67 135.02 35.37 Favored 'General case' 0 C--N 1.301 -1.539 0 CA-C-O 120.617 0.246 . . . . 1.06 111.421 178.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.697 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 29.5 t -111.04 151.32 28.16 Favored 'General case' 0 C--N 1.308 -1.198 0 N-CA-C 106.376 -1.712 . . . . 1.31 106.376 172.271 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.71 ' HA ' HD12 ' A' ' 36' ' ' LEU . 67.4 m-85 -68.09 -36.25 79.48 Favored 'General case' 0 C--O 1.201 -1.461 0 N-CA-C 114.993 1.479 . . . . 1.03 114.993 -166.276 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.518 ' HB ' ' HB3' ' A' ' 40' ' ' SER . 8.1 t -126.48 35.14 4.69 Favored 'General case' 0 C--N 1.273 -2.729 0 CA-C-O 123.449 1.595 . . . . 1.37 109.434 -175.569 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.474 ' HB2' ' HB3' ' A' ' 31' ' ' SER . 5.5 m-20 -136.8 -63.43 0.61 Allowed 'General case' 0 C--N 1.296 -1.725 0 CA-C-N 113.61 -1.632 . . . . 2.31 107.516 -179.533 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.78 ' HB3' ' HD3' ' A' ' 30' ' ' LYS . 8.1 m-20 -90.34 -20.36 22.97 Favored 'General case' 0 CA--C 1.488 -1.413 0 CA-C-N 115.356 -0.838 . . . . 1.67 110.886 -178.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.71 HD12 ' HA ' ' A' ' 32' ' ' PHE . 57.4 mt -91.37 152.07 20.58 Favored 'General case' 0 N--CA 1.418 -2.037 0 CA-C-O 121.566 0.698 . . . . 0.69 111.243 -179.053 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -98.93 37.99 1.45 Allowed 'General case' 0 C--N 1.291 -1.977 0 CA-C-N 114.38 -1.282 . . . . 2.15 109.935 -172.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 14.9 m -105.85 -169.48 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.402 -2.842 0 CA-C-O 121.482 0.658 . . . . 2.23 111.209 -175.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -116.09 119.2 35.08 Favored 'General case' 0 C--N 1.289 -2.05 0 N-CA-C 104.959 -2.237 . . . . 2.96 104.959 169.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.518 ' HB3' ' HB ' ' A' ' 33' ' ' THR . 26.3 p -57.64 -33.22 68.07 Favored 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 112.858 0.688 . . . . 1.19 112.858 -176.44 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.0 mp -61.14 -22.42 64.67 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-O 121.506 0.669 . . . . 1.34 110.482 179.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 35.0 m -84.39 -17.77 38.26 Favored 'General case' 0 N--CA 1.44 -0.936 0 C-N-CA 123.72 0.808 . . . . 1.26 111.337 179.243 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 36.1 ttp -69.14 -21.15 64.03 Favored 'General case' 0 C--O 1.219 -0.518 0 O-C-N 122.09 -0.382 . . . . 0.97 110.788 -175.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 59.6 t -54.35 -48.53 67.99 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.137 0 CA-C-N 116.117 -0.492 . . . . 0.65 109.854 178.059 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -63.35 -29.98 71.2 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.858 0.361 . . . . 2.06 111.317 175.504 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.601 ' HA ' HG21 ' A' ' 14' ' ' ILE . 98.7 t -70.17 -53.41 23.48 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.065 0 CA-C-N 115.938 -0.574 . . . . 1.43 110.244 -179.748 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.519 HG21 HG21 ' A' ' 63' ' ' VAL . 12.7 p -62.13 -38.13 80.15 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 N-CA-C 112.326 0.491 . . . . 0.53 112.326 -177.417 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 14.9 p -70.36 -29.66 39.96 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.799 0 C-N-CA 120.03 -0.668 . . . . 0.65 110.439 178.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.466 ' O ' ' HG2' ' A' ' 53' ' ' ARG . . . -76.23 -31.44 58.38 Favored 'General case' 0 C--O 1.213 -0.846 0 N-CA-C 109.32 -0.622 . . . . 0.32 109.32 176.13 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.19 -40.91 97.63 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-N 116.163 -0.471 . . . . 0.36 109.945 178.04 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.663 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 32.2 mt-10 -55.37 -54.13 47.51 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.27 -0.423 . . . . 0.78 111.426 177.764 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -68.35 -44.23 75.7 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.005 -0.543 . . . . 0.96 112.433 -178.102 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.466 ' HG2' ' O ' ' A' ' 49' ' ' ALA . 14.5 mmt85 -75.38 -36.39 60.91 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 111.981 0.363 . . . . 3.85 111.981 -174.312 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.456 ' HZ ' ' C ' ' A' ' 10' ' ' GLY . 79.4 m-85 -96.08 -2.08 47.37 Favored 'General case' 0 CA--C 1.512 -0.504 0 N-CA-C 113.615 0.969 . . . . 0.4 113.615 -176.392 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 68.5 33.89 3.84 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 123.458 0.474 . . . . 1.95 110.694 176.482 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.814 HG11 HG23 ' A' ' 76' ' ' ILE . 7.0 p -144.97 112.71 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.327 0 CA-C-O 121.439 0.638 . . . . 1.37 110.615 -178.452 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp -78.73 132.94 37.15 Favored 'General case' 0 C--N 1.289 -2.051 0 C-N-CA 119.532 -0.867 . . . . 3.34 111.08 176.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.457 HG23 ' CE1' ' A' ' 75' ' ' TYR . 51.6 mt -129.71 105.83 17.08 Favored Pre-proline 0 C--N 1.295 -1.768 0 CA-C-N 114.426 -1.261 . . . . 0.57 108.169 -172.74 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.505 ' O ' HG23 ' A' ' 63' ' ' VAL . 48.5 Cg_exo -58.52 123.49 13.7 Favored 'Trans proline' 0 C--O 1.24 0.588 0 C-N-CA 123.128 2.552 . . . . 0.63 111.911 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -54.72 -27.45 40.83 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 114.308 1.225 . . . . 2.3 114.308 -175.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -68.91 -38.25 79.45 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 120.552 0.215 . . . . 2.38 111.481 177.194 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -76.35 -34.53 58.96 Favored 'General case' 0 C--O 1.244 0.78 0 CA-C-O 121.205 0.526 . . . . 1.52 109.875 -177.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.666 HG13 ' H6A' ' A' ' 101' ' ' SXO . 85.2 t -49.72 -51.55 15.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 CA-C-N 114.003 -1.453 . . . . 0.79 110.992 179.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -65.44 -11.5 43.49 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 123.344 0.657 . . . . 1.24 112.251 -172.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -94.5 -8.51 38.18 Favored 'General case' 0 C--N 1.298 -1.673 0 CA-C-O 121.16 0.505 . . . . 2.07 111.319 -178.627 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.685 ' HB2' ' H4A' ' A' ' 101' ' ' SXO . 96.0 mt -91.63 -176.95 4.65 Favored 'General case' 0 C--N 1.314 -0.953 0 N-CA-C 108.077 -1.083 . . . . 0.6 108.077 176.2 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 40.8 pttt -148.75 -71.84 0.2 Allowed 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 113.718 1.007 . . . . 2.69 113.718 -179.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.697 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 66.5 p -80.47 170.73 15.97 Favored 'General case' 0 C--N 1.314 -0.973 0 C-N-CA 119.436 -0.905 . . . . 0.46 110.747 -176.117 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 33.9 m -73.42 -13.65 16.22 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.028 0 N-CA-C 109.671 -0.492 . . . . 0.66 109.671 175.381 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -78.39 -37.9 26.53 Favored Glycine 0 N--CA 1.435 -1.418 0 N-CA-C 109.584 -1.407 . . . . 0.46 109.584 175.29 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -71.56 -32.33 67.99 Favored 'General case' 0 CA--C 1.505 -0.754 0 N-CA-C 108.823 -0.806 . . . . 1.62 108.823 177.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.523 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -69.5 -55.02 11.4 Favored 'General case' 0 N--CA 1.431 -1.415 0 CA-C-N 114.607 -1.178 . . . . 0.51 109.762 -179.006 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.655 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 13.8 p -56.57 -39.58 73.72 Favored 'General case' 0 N--CA 1.444 -0.748 0 O-C-N 123.726 0.641 . . . . 0.46 112.02 -178.551 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.8 tppt? -54.4 -44.58 72.45 Favored 'General case' 0 CA--C 1.535 0.377 0 O-C-N 123.909 0.756 . . . . 3.54 110.996 178.078 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.457 ' CE1' HG23 ' A' ' 58' ' ' ILE . 55.9 t80 -73.46 -47.98 37.2 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.087 0.47 . . . . 0.83 110.074 178.102 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.814 HG23 HG11 ' A' ' 56' ' ' VAL . 93.7 mt -52.69 -65.76 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.076 -0.966 . . . . 0.65 111.836 -177.365 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.655 ' HG ' ' O ' ' A' ' 73' ' ' THR . 2.9 pp -64.4 -22.46 66.97 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.733 0.642 . . . . 1.74 112.733 -174.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -75.76 -27.87 58.23 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 121.991 0.901 . . . . 1.32 110.201 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 13.8 t60 -94.81 -6.65 42.41 Favored 'General case' 0 C--N 1.303 -1.425 0 CA-C-N 115.603 -0.726 . . . . 2.89 109.581 -179.265 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.757 ' HG2' ' HB ' ' A' ' 56' ' ' VAL . 27.1 mt-30 -92.33 164.38 13.53 Favored 'General case' 0 C--O 1.244 0.778 0 CA-C-O 121.629 0.728 . . . . 2.23 111.875 -178.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.429 -1.502 0 N-CA-C 107.916 -1.142 . . . . 3.38 107.916 175.279 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' SXO . . . . . 0.685 ' H4A' ' HB2' ' A' ' 66' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.56 0 N-CA-C 108.975 -0.75 . . . . 2.17 108.975 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.475 ' HB1' ' HB2' ' A' ' 6' ' ' GLU . . . -130.71 168.0 17.89 Favored 'General case' 0 C--N 1.297 -1.701 0 N-CA-C 108.286 -1.005 . . . . 1.12 108.286 -179.469 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.556 ' O ' HG12 ' A' ' 7' ' ' ILE . 4.0 m -105.13 171.28 7.4 Favored 'General case' 0 N--CA 1.427 -1.588 0 C-N-CA 120.353 -0.539 . . . . 1.57 110.537 -176.189 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.515 ' H ' HG22 ' A' ' 3' ' ' THR . 15.3 pt20 -40.1 -46.01 2.08 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 115.78 1.77 . . . . 1.76 115.78 -173.236 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -65.64 -53.17 45.18 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 109.5 -0.556 . . . . 3.05 109.5 -178.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.475 ' HB2' ' HB1' ' A' ' 2' ' ' ALA . 1.6 mp0 -62.09 -34.05 75.57 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.191 -0.913 . . . . 2.53 110.159 178.568 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.556 HG12 ' O ' ' A' ' 3' ' ' THR . 35.1 mm -61.17 -56.21 19.42 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.724 0 CA-C-N 116.211 -0.45 . . . . 0.45 109.855 177.698 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.541 ' HA ' HD12 ' A' ' 11' ' ' LEU . 85.4 t -59.11 -38.53 74.71 Favored 'Isoleucine or valine' 0 C--O 1.242 0.701 0 CA-C-O 120.811 0.339 . . . . 0.57 111.15 -179.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.07 -37.74 88.55 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.216 0.532 . . . . 0.48 110.108 176.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.452 ' O ' ' HG2' ' A' ' 13' ' ' GLU . . . -71.73 -26.68 72.35 Favored Glycine 0 C--O 1.207 -1.55 0 N-CA-C 111.268 -0.733 . . . . 0.37 111.268 178.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.541 HD12 ' HA ' ' A' ' 8' ' ' VAL . 96.4 mt -66.18 -44.7 83.25 Favored 'General case' 0 C--N 1.309 -1.178 0 N-CA-C 109.102 -0.703 . . . . 0.33 109.102 175.766 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.22 -27.65 69.5 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 113.623 0.972 . . . . 0.28 113.623 -176.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.715 ' HG3' HD12 ' A' ' 14' ' ' ILE . 10.8 pt-20 -67.92 -31.79 71.8 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 119.774 -0.77 . . . . 2.48 111.081 179.276 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.715 HD12 ' HG3' ' A' ' 13' ' ' GLU . 3.7 mp -86.38 -41.85 15.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 108.694 -0.854 . . . . 0.44 108.694 174.722 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.521 HG12 HG13 ' A' ' 21' ' ' ILE . 84.0 t -61.66 -31.74 51.66 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.244 0 N-CA-C 112.958 0.725 . . . . 0.34 112.958 -178.257 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -71.98 -30.98 65.83 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 121.28 -0.888 . . . . 0.95 110.113 175.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -70.23 -41.96 72.88 Favored 'General case' 0 C--N 1.31 -1.136 0 N-CA-C 109.154 -0.684 . . . . 2.11 109.154 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.425 HG13 HG22 ' A' ' 46' ' ' VAL . 47.2 mm -80.73 -53.47 12.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.4 -0.818 . . . . 0.71 112.228 -176.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -103.69 -49.06 3.76 Favored 'General case' 0 C--N 1.306 -1.296 0 CA-C-O 121.149 0.499 . . . . 0.68 111.132 -175.281 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 101.11 43.75 2.16 Favored Glycine 0 C--N 1.304 -1.202 0 C-N-CA 119.823 -1.179 . . . . 0.93 112.848 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.521 HG13 HG12 ' A' ' 15' ' ' VAL . 1.6 pp -82.31 162.2 57.18 Favored Pre-proline 0 C--N 1.301 -1.519 0 O-C-N 122.998 -0.119 . . . . 0.6 110.751 175.554 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.487 ' HB2' ' HB2' ' A' ' 25' ' ' ASP . 15.1 Cg_exo -71.09 127.43 13.53 Favored 'Trans proline' 0 N--CA 1.442 -1.536 0 N-CA-C 108.135 -1.525 . . . . 0.75 108.135 173.226 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.1 m -76.65 -5.81 8.01 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.385 0 N-CA-C 112.741 0.645 . . . . 1.48 112.741 -175.121 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -88.1 -21.73 24.53 Favored 'General case' 0 C--N 1.314 -0.947 0 N-CA-C 107.552 -1.277 . . . . 2.03 107.552 174.407 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.487 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 20.2 t70 -82.09 -30.54 31.19 Favored 'General case' 0 C--N 1.307 -1.282 0 CA-C-N 115.01 -0.996 . . . . 1.07 110.831 -172.061 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.551 ' HA ' ' HG3' ' A' ' 30' ' ' LYS . 22.0 t -75.75 83.09 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.313 -0.991 0 CA-C-N 115.282 -0.872 . . . . 0.73 109.95 -178.77 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -100.6 177.79 4.9 Favored 'General case' 0 C--N 1.297 -1.677 0 CA-C-N 114.542 -1.208 . . . . 2.83 108.651 177.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.475 HD11 ' HB2' ' A' ' 4' ' ' GLN . 4.2 mm? -59.6 -21.31 60.21 Favored 'General case' 0 N--CA 1.492 1.638 0 N-CA-C 112.865 0.691 . . . . 1.07 112.865 178.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -90.61 32.61 0.96 Allowed 'General case' 0 C--N 1.305 -1.361 0 CA-C-O 120.952 0.406 . . . . 2.47 111.457 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.551 ' HG3' ' HA ' ' A' ' 26' ' ' VAL . 71.6 mmtt -115.47 171.74 7.53 Favored 'General case' 0 C--N 1.303 -1.456 0 CA-C-O 121.717 0.77 . . . . 1.06 112.994 179.68 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.457 ' HB2' HG22 ' A' ' 68' ' ' THR . 19.9 t -149.93 153.52 36.76 Favored 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 105.186 -2.153 . . . . 1.31 105.186 178.273 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -67.37 -51.98 45.53 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 113.442 0.904 . . . . 1.03 113.442 -169.26 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.552 ' HB ' ' O ' ' A' ' 38' ' ' VAL . 11.5 t -123.18 19.49 9.88 Favored 'General case' 0 C--N 1.285 -2.223 0 C-N-CA 118.514 -1.274 . . . . 1.37 110.778 -179.413 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -116.24 -39.78 3.36 Favored 'General case' 0 C--N 1.3 -1.573 0 C-N-CA 119.314 -0.954 . . . . 2.31 110.722 179.019 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -107.61 -29.15 9.32 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 108.81 -0.811 . . . . 1.67 108.81 177.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 93.7 mt -100.04 -171.23 2.0 Favored 'General case' 0 C--O 1.24 0.573 0 N-CA-C 109.236 -0.653 . . . . 0.69 109.236 177.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -128.95 78.41 1.85 Allowed 'General case' 0 C--N 1.308 -1.212 0 N-CA-C 107.439 -1.319 . . . . 2.15 107.439 -178.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.552 ' O ' ' HB ' ' A' ' 33' ' ' THR . 25.3 t -137.94 113.82 10.61 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.435 0 CA-C-N 114.011 -1.449 . . . . 2.23 107.881 -177.43 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -56.16 122.95 12.9 Favored 'General case' 0 CA--C 1.507 -0.69 0 N-CA-C 109.505 -0.554 . . . . 2.96 109.505 175.212 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.451 ' HA ' ' HB2' ' A' ' 43' ' ' MET . 75.3 p -66.6 -32.42 73.74 Favored 'General case' 0 C--N 1.304 -1.404 0 CA-C-O 121.157 0.503 . . . . 1.19 112.238 -175.007 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -61.25 -33.14 73.04 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-O 121.845 0.831 . . . . 1.34 108.986 176.347 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 32.8 m -84.8 -17.41 38.26 Favored 'General case' 0 N--CA 1.44 -0.93 0 C-N-CA 124.537 1.135 . . . . 1.26 111.612 177.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.451 ' HB2' ' HA ' ' A' ' 40' ' ' SER . 8.4 tmm? -69.32 -22.23 63.79 Favored 'General case' 0 C--O 1.217 -0.64 0 N-CA-C 107.952 -1.129 . . . . 0.97 107.952 179.714 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.493 ' HA ' HG12 ' A' ' 47' ' ' VAL . 40.4 t -63.75 -23.79 34.2 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.448 0 CA-C-N 115.329 -0.85 . . . . 0.65 110.056 176.557 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -82.68 -21.98 34.72 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-O 121.717 0.77 . . . . 2.06 109.153 175.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.448 ' HA ' HG21 ' A' ' 14' ' ' ILE . 86.0 t -76.76 -57.35 6.09 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 N-CA-C 108.579 -0.897 . . . . 1.43 108.579 177.675 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.531 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 9.8 p -51.78 -41.21 29.06 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.632 0 N-CA-C 113.079 0.77 . . . . 0.53 113.079 -177.635 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 11.1 p -63.86 -32.43 57.04 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.789 0 C-N-CA 120.57 -0.452 . . . . 0.65 111.129 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.54 ' O ' ' HB2' ' A' ' 53' ' ' ARG . . . -86.01 -16.74 37.29 Favored 'General case' 0 C--O 1.213 -0.816 0 CA-C-N 115.878 -0.601 . . . . 0.32 109.999 179.121 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -81.54 -37.8 27.2 Favored 'General case' 0 C--N 1.306 -1.304 0 CA-C-N 116.025 -0.534 . . . . 0.36 110.008 177.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.531 ' HG3' ' O ' ' A' ' 47' ' ' VAL . 44.1 mt-10 -55.99 -43.29 77.51 Favored 'General case' 0 C--O 1.241 0.651 0 CA-C-O 121.341 0.591 . . . . 0.78 111.215 178.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.77 -32.01 59.74 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.389 -0.823 . . . . 0.96 111.238 179.002 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.54 ' HB2' ' O ' ' A' ' 49' ' ' ALA . 2.5 tpp180 -70.94 -47.33 59.62 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.259 -0.882 . . . . 3.85 110.769 -174.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.552 ' HB2' HG12 ' A' ' 56' ' ' VAL . 65.6 m-85 -97.6 -10.58 24.87 Favored 'General case' 0 C--N 1.311 -1.093 0 N-CA-C 113.184 0.809 . . . . 0.4 113.184 -174.441 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 70.41 50.13 0.41 Allowed 'General case' 0 N--CA 1.494 1.742 0 CA-C-O 121.613 0.72 . . . . 1.95 110.53 -176.662 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.933 HG11 HG23 ' A' ' 76' ' ' ILE . 3.1 p -147.77 106.79 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.297 -1.712 0 CA-C-N 114.993 -1.003 . . . . 1.37 109.7 -179.466 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 59.6 pttt -72.92 131.41 42.18 Favored 'General case' 0 C--N 1.291 -1.935 0 CA-C-N 115.522 -0.763 . . . . 3.34 109.383 177.336 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 59.4 mt -125.01 97.87 37.29 Favored Pre-proline 0 C--N 1.288 -2.105 0 CA-C-N 114.819 -1.082 . . . . 0.57 108.374 -175.25 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.417 ' HD2' ' HB2' ' A' ' 62' ' ' ASP . 33.0 Cg_exo -62.74 156.29 54.15 Favored 'Trans proline' 0 C--O 1.248 0.986 0 C-N-CA 122.397 2.065 . . . . 0.63 110.442 177.445 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.569 ' HA ' HG12 ' A' ' 63' ' ' VAL . 24.4 t70 -57.57 -38.73 75.29 Favored 'General case' 0 C--N 1.305 -1.364 0 CA-C-O 121.358 0.599 . . . . 2.3 111.292 -178.222 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -61.96 -36.7 82.2 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 115.484 -0.78 . . . . 2.38 111.491 177.121 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.417 ' HB2' ' HD2' ' A' ' 59' ' ' PRO . 1.7 m-20 -80.36 -32.92 37.65 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.894 -0.594 . . . . 1.52 112.462 -179.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.569 HG12 ' HA ' ' A' ' 60' ' ' ASP . 7.9 p -69.47 -45.24 78.94 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.499 0 CA-C-O 121.101 0.477 . . . . 0.79 110.355 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -64.77 -13.39 55.1 Favored 'General case' 0 C--N 1.31 -1.152 0 CA-C-N 115.284 -0.871 . . . . 1.24 112.554 177.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -83.05 -19.54 36.68 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-O 121.133 0.492 . . . . 2.07 110.426 -178.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.587 HD13 ' HA ' ' A' ' 72' ' ' ALA . 77.0 mt -95.86 174.5 6.92 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 116.169 -0.469 . . . . 0.6 110.338 -174.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -143.71 -58.25 0.4 Allowed 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 113.9 1.074 . . . . 2.69 113.9 -178.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.457 HG22 ' HB2' ' A' ' 31' ' ' SER . 64.0 p -99.21 -175.61 3.07 Favored 'General case' 0 N--CA 1.437 -1.121 0 O-C-N 121.674 -0.641 . . . . 0.46 109.556 -177.234 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.457 HG22 ' O ' ' A' ' 30' ' ' LYS . 33.4 m -84.62 -24.73 7.22 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.118 0 C-N-CA 119.727 -0.789 . . . . 0.66 109.752 177.186 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -82.51 -21.99 59.2 Favored Glycine 0 C--N 1.34 0.796 0 N-CA-C 110.691 -0.964 . . . . 0.46 110.691 178.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -78.83 -34.81 44.89 Favored 'General case' 0 C--N 1.305 -1.367 0 CA-C-N 114.873 -0.664 . . . . 1.62 109.29 175.564 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.587 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -77.05 -42.44 38.42 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 114.934 -1.03 . . . . 0.51 112.966 -177.374 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.546 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 1.6 p -49.47 -42.71 43.93 Favored 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 113.429 0.9 . . . . 0.46 113.429 -176.426 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -60.74 -44.13 97.05 Favored 'General case' 0 C--O 1.217 -0.612 0 O-C-N 123.645 0.59 . . . . 3.54 111.471 -178.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -65.28 -43.91 89.7 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.01 0.433 . . . . 0.83 110.003 177.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.933 HG23 HG11 ' A' ' 56' ' ' VAL . 93.5 mt -58.02 -65.78 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 114.769 -1.105 . . . . 0.65 111.036 -178.338 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.557 ' HA ' ' NE2' ' A' ' 80' ' ' GLN . 3.4 pp -61.83 -22.61 65.64 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 113.184 0.809 . . . . 1.74 113.184 -175.569 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -78.53 -32.59 48.03 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-N 115.932 -0.576 . . . . 1.32 111.026 179.082 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.834 ' HB3' HG23 ' A' ' 56' ' ' VAL . 13.0 t-80 -98.68 -5.04 32.39 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 116.168 -0.469 . . . . 2.89 110.538 -173.328 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.589 ' HG3' ' O ' ' A' ' 76' ' ' ILE . 23.1 mt-30 -66.43 141.67 57.84 Favored 'General case' 0 CA--C 1.495 -1.139 0 N-CA-C 113.471 0.915 . . . . 2.23 113.471 -178.481 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.434 -1.243 0 CA-C-N 113.971 -1.468 . . . . 3.38 107.663 175.317 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' SXO . . . . . 0.464 ' N36' H28A ' A' ' 101' ' ' SXO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.546 ' N ' ' HB3' ' A' ' 55' ' ' ASP . . . . . . . . 0 N--CA 1.449 -0.52 0 N-CA-C 109.559 -0.534 . . . . 2.17 109.559 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.433 ' HB3' HD13 ' A' ' 7' ' ' ILE . . . -105.7 145.06 31.58 Favored 'General case' 0 N--CA 1.432 -1.333 0 N-CA-C 108.342 -0.984 . . . . 1.12 108.342 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.422 ' O ' HG12 ' A' ' 7' ' ' ILE . 4.0 m -92.55 166.66 12.4 Favored 'General case' 0 C--N 1.281 -2.374 0 C-N-CA 118.387 -1.325 . . . . 1.57 109.703 -177.209 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -43.92 -51.64 7.45 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 114.997 1.48 . . . . 1.76 114.997 -170.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -63.53 -29.32 70.6 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-O 121.666 0.746 . . . . 3.05 111.34 -178.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -85.79 -30.56 22.92 Favored 'General case' 0 N--CA 1.432 -1.353 0 CA-C-N 115.148 -0.933 . . . . 2.53 109.157 -178.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.5 HG21 HG22 ' A' ' 73' ' ' THR . 37.1 mm -63.14 -60.63 2.46 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.702 0 N-CA-C 108.343 -0.984 . . . . 0.45 108.343 175.151 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 97.9 t -52.13 -50.37 36.04 Favored 'Isoleucine or valine' 0 C--O 1.244 0.806 0 C-N-CA 123.775 0.83 . . . . 0.57 111.458 -178.106 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.57 -42.32 82.82 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.202 -0.454 . . . . 0.48 111.16 179.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -71.16 -41.21 60.49 Favored Glycine 0 N--CA 1.436 -1.36 0 CA-C-N 115.849 -0.614 . . . . 0.37 111.574 -178.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' A' ' 7' ' ' ILE . 91.5 mt -54.46 -47.98 72.28 Favored 'General case' 0 CA--C 1.507 -0.707 0 C-N-CA 123.142 0.577 . . . . 0.33 110.442 178.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.72 -23.52 67.4 Favored 'General case' 0 N--CA 1.44 -0.973 0 CA-C-N 115.38 -0.827 . . . . 0.28 112.601 -178.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -63.89 -49.23 73.51 Favored 'General case' 0 C--O 1.245 0.841 0 CA-C-O 120.776 0.322 . . . . 2.48 110.564 177.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.74 HG21 ' HA ' ' A' ' 46' ' ' VAL . 3.9 mp -72.69 -42.43 62.28 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.05 0 N-CA-C 108.542 -0.91 . . . . 0.44 108.542 179.507 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.433 HG12 ' CG1' ' A' ' 21' ' ' ILE . 88.8 t -59.1 -40.45 80.91 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.827 0 N-CA-C 112.457 0.54 . . . . 0.34 112.457 -178.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.474 ' HA ' ' H ' ' A' ' 21' ' ' ILE . 50.1 t-20 -65.84 -41.37 91.81 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.456 -0.572 . . . . 0.95 109.456 178.301 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -67.25 -46.41 73.82 Favored 'General case' 0 C--N 1.309 -1.191 0 CA-C-O 121.47 0.653 . . . . 2.11 110.447 -179.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 28.4 mm -70.92 -53.76 20.44 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.079 0 CA-C-N 115.598 -0.728 . . . . 0.71 112.519 -176.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -115.98 -35.17 4.51 Favored 'General case' 0 C--N 1.309 -1.173 0 N-CA-C 112.633 0.605 . . . . 0.68 112.633 -173.399 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.72 95.59 2.12 Favored Glycine 0 N--CA 1.436 -1.31 0 C-N-CA 119.77 -1.205 . . . . 0.93 112.243 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.474 ' H ' ' HA ' ' A' ' 16' ' ' ASN . 2.5 pp -132.27 160.95 65.85 Favored Pre-proline 0 C--N 1.297 -1.713 0 N-CA-C 109.255 -0.646 . . . . 0.6 109.255 176.503 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.45 ' HB2' ' HB2' ' A' ' 25' ' ' ASP . 15.9 Cg_exo -73.86 142.81 32.27 Favored 'Trans proline' 0 CA--C 1.548 1.193 0 C-N-CA 122.095 1.864 . . . . 0.75 110.604 172.51 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 32.1 m -80.04 7.92 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 N-CA-C 113.041 0.756 . . . . 1.48 113.041 -174.219 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -130.44 9.22 5.1 Favored 'General case' 0 C--N 1.294 -1.805 0 N-CA-C 108.559 -0.904 . . . . 2.03 108.559 177.255 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.604 ' O ' ' HE3' ' A' ' 30' ' ' LYS . 25.8 t70 -92.24 -33.7 14.56 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-O 121.413 0.625 . . . . 1.07 110.709 -176.286 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.521 ' HA ' ' HG3' ' A' ' 30' ' ' LYS . 45.2 t -77.0 88.95 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.296 -1.728 0 CA-C-N 115.217 -0.901 . . . . 0.73 111.956 -174.691 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -94.39 -174.0 3.22 Favored 'General case' 0 C--N 1.306 -1.304 0 N-CA-C 106.732 -1.581 . . . . 2.83 106.732 167.18 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.528 HD12 ' HA2' ' A' ' 70' ' ' GLY . 3.1 mm? -68.72 -31.81 71.15 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 118.506 0.594 . . . . 1.07 111.882 -174.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -81.65 36.91 0.45 Allowed 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.806 0.842 . . . . 2.47 111.49 -176.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.604 ' HE3' ' O ' ' A' ' 25' ' ' ASP . 60.3 mmtt -122.54 121.11 35.75 Favored 'General case' 0 C--N 1.314 -0.936 0 C-N-CA 123.609 0.763 . . . . 1.06 109.993 -179.8 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.656 ' HB2' HG22 ' A' ' 68' ' ' THR . 32.4 t -104.53 141.55 36.19 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 108.552 -0.907 . . . . 1.31 108.552 177.503 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.614 ' HA ' HD12 ' A' ' 36' ' ' LEU . 98.4 m-85 -56.34 -44.65 80.26 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 114.509 1.299 . . . . 1.03 114.509 -168.511 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.471 HG22 H43A ' A' ' 101' ' ' SXO . 9.5 t -122.28 41.13 3.49 Favored 'General case' 0 C--N 1.285 -2.199 0 CA-C-O 122.575 1.179 . . . . 1.37 110.792 -179.4 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.412 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 13.6 t70 -137.03 -61.38 0.66 Allowed 'General case' 0 C--N 1.294 -1.832 0 N-CA-C 107.887 -1.153 . . . . 2.31 107.887 174.603 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -87.48 -35.84 18.0 Favored 'General case' 0 CA--C 1.491 -1.303 0 CA-C-N 114.524 -1.216 . . . . 1.67 109.109 179.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.614 HD12 ' HA ' ' A' ' 32' ' ' PHE . 84.3 mt -92.83 156.74 16.79 Favored 'General case' 0 N--CA 1.43 -1.433 0 CA-C-N 115.458 -0.792 . . . . 0.69 110.316 -175.448 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -93.9 40.71 1.08 Allowed 'General case' 0 C--N 1.309 -1.161 0 CA-C-O 122.638 1.209 . . . . 2.15 108.954 -177.388 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.484 HG23 ' HB3' ' A' ' 36' ' ' LEU . 39.5 t -99.15 115.37 39.63 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.437 0 CA-C-N 115.269 -0.878 . . . . 2.23 110.846 -175.104 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -58.46 118.62 5.79 Favored 'General case' 0 CA--C 1.509 -0.625 0 N-CA-C 105.959 -1.867 . . . . 2.96 105.959 168.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . 0.417 2.8 p -67.32 -30.0 69.72 Favored 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 117.767 2.506 . . . . 1.19 117.767 -170.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.9 mp -64.75 -24.09 67.45 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 118.791 -1.164 . . . . 1.34 110.442 172.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.3 m -84.17 -14.35 50.4 Favored 'General case' 0 N--CA 1.43 -1.435 0 CA-C-N 115.618 -0.719 . . . . 1.26 110.8 179.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.515 ' HE1' ' H5A' ' A' ' 101' ' ' SXO . 5.1 tmm? -72.39 -23.11 61.06 Favored 'General case' 0 C--O 1.215 -0.74 0 N-CA-C 107.815 -1.18 . . . . 0.97 107.815 179.256 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.517 ' HA ' HG12 ' A' ' 47' ' ' VAL . 47.9 t -62.64 -28.12 44.22 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.256 0 CA-C-N 115.821 -0.627 . . . . 0.65 110.201 177.737 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -74.73 -25.17 58.93 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.7 -0.852 . . . . 2.06 108.7 178.248 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.74 ' HA ' HG21 ' A' ' 14' ' ' ILE . 59.7 t -76.71 -60.63 2.16 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 CA-C-N 114.929 -1.032 . . . . 1.43 108.939 179.503 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.517 HG12 ' HA ' ' A' ' 44' ' ' VAL . 11.8 p -52.91 -42.05 42.24 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.105 0 N-CA-C 113.113 0.783 . . . . 0.53 113.113 -177.166 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 9.0 p -68.47 -26.67 34.08 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.13 0 CA-C-O 121.327 0.584 . . . . 0.65 111.179 -178.42 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -86.3 -26.84 24.71 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.767 0.794 . . . . 0.32 109.685 178.237 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.52 -36.87 76.84 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-N 115.506 -0.77 . . . . 0.36 111.039 -179.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -50.78 -56.68 10.96 Favored 'General case' 0 CA--C 1.533 0.315 0 O-C-N 123.713 0.633 . . . . 0.78 111.622 179.447 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -66.98 -39.91 87.3 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 115.621 -0.718 . . . . 0.96 112.832 -178.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -70.89 -38.97 73.06 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.704 0.631 . . . . 3.85 112.704 -174.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -94.01 -11.4 30.87 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.03 0.381 . . . . 0.4 112.03 -177.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.546 ' HB3' ' N ' ' A' ' 1' ' ' ALA . 38.6 t70 69.79 68.81 0.24 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 122.448 1.118 . . . . 1.95 110.329 -177.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.773 ' HB ' ' HG2' ' A' ' 80' ' ' GLN . 13.7 p -155.01 163.65 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.402 0 CA-C-N 114.04 -1.437 . . . . 1.37 107.208 -179.77 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.413 ' HE3' ' HB3' ' A' ' 57' ' ' LYS . 22.5 mtpp -129.76 131.59 46.3 Favored 'General case' 0 C--N 1.291 -1.96 0 N-CA-C 109.638 -0.504 . . . . 3.34 109.638 172.393 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 61.4 mt -125.03 105.73 28.94 Favored Pre-proline 0 C--N 1.297 -1.711 0 CA-C-N 115.281 -0.872 . . . . 0.57 108.767 -176.172 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.445 ' O ' HG23 ' A' ' 63' ' ' VAL . 15.2 Cg_exo -71.16 156.89 58.72 Favored 'Trans proline' 0 N--CA 1.461 -0.431 0 C-N-CA 123.362 2.708 . . . . 0.63 112.238 179.307 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -45.26 -43.08 10.18 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 125.716 1.606 . . . . 2.3 112.325 -178.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -67.75 -27.84 67.12 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 115.644 -0.707 . . . . 2.38 111.834 -177.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.426 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 37.0 m-20 -86.59 -37.58 17.97 Favored 'General case' 0 C--N 1.308 -1.209 0 O-C-N 122.12 -0.363 . . . . 1.52 110.757 178.689 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.544 ' O ' ' H2 ' ' A' ' 101' ' ' SXO . 87.5 t -53.39 -52.65 30.03 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.08 0 O-C-N 123.728 0.642 . . . . 0.79 109.481 177.588 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.719 ' HG2' ' H37' ' A' ' 101' ' ' SXO . 88.8 mttt -72.42 -9.64 58.78 Favored 'General case' 0 C--N 1.31 -1.139 0 N-CA-C 113.109 0.781 . . . . 1.24 113.109 -177.764 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -91.91 -31.04 15.82 Favored 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 111.91 0.337 . . . . 2.07 111.91 -176.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.474 HD13 ' HA ' ' A' ' 72' ' ' ALA . 60.4 mt -73.04 175.4 6.71 Favored 'General case' 0 C--N 1.319 -0.755 0 C-N-CA 121.33 -0.148 . . . . 0.6 110.797 -175.408 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -141.18 -68.89 0.39 Allowed 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 113.408 0.892 . . . . 2.69 113.408 -178.228 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.656 HG22 ' HB2' ' A' ' 31' ' ' SER . 36.0 p -93.34 178.62 5.66 Favored 'General case' 0 N--CA 1.435 -1.183 0 N-CA-C 109.465 -0.568 . . . . 0.46 109.465 178.245 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.483 ' O ' HG23 ' A' ' 73' ' ' THR . 34.3 m -75.35 -26.15 18.41 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.299 0 N-CA-C 108.759 -0.83 . . . . 0.66 108.759 173.574 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.528 ' HA2' HD12 ' A' ' 28' ' ' LEU . . . -69.77 -46.2 54.68 Favored Glycine 0 N--CA 1.44 -1.051 0 N-CA-C 110.264 -1.135 . . . . 0.46 110.264 176.419 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -62.31 -28.84 70.01 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-O 121.717 0.77 . . . . 1.62 109.734 178.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.474 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -78.9 -45.8 19.81 Favored 'General case' 0 N--CA 1.43 -1.439 0 CA-C-N 115.034 -0.985 . . . . 0.51 110.811 -179.558 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.5 HG22 HG21 ' A' ' 7' ' ' ILE . 38.8 p -51.41 -38.34 53.0 Favored 'General case' 0 C--N 1.351 0.649 0 N-CA-C 113.608 0.966 . . . . 0.46 113.608 -176.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.7 tmtt? -63.01 -53.2 57.64 Favored 'General case' 0 C--O 1.211 -0.93 0 N-CA-C 108.603 -0.888 . . . . 3.54 108.603 179.336 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -59.35 -45.13 92.26 Favored 'General case' 0 N--CA 1.466 0.335 0 O-C-N 123.201 0.313 . . . . 0.83 111.157 -178.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.614 HD11 ' H8B' ' A' ' 101' ' ' SXO . 79.5 mt -57.6 -64.34 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 109.434 -0.58 . . . . 0.65 109.434 179.717 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 49.9 tp -55.1 -29.09 56.9 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.751 0.821 . . . . 1.74 111.752 -178.069 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -74.82 -43.96 51.86 Favored 'General case' 0 C--N 1.309 -1.168 0 CA-C-N 115.453 -0.794 . . . . 1.32 110.861 -179.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 24.7 t-80 -90.45 -19.51 23.81 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.815 -0.629 . . . . 2.89 111.81 -172.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.773 ' HG2' ' HB ' ' A' ' 56' ' ' VAL . 23.2 mt-30 -53.64 122.92 10.82 Favored 'General case' 0 N--CA 1.482 1.171 0 N-CA-C 114.04 1.126 . . . . 2.23 114.04 -178.74 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.092 0 C-N-CA 127.579 2.351 . . . . 3.38 104.993 176.662 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' SXO . . . . . 0.719 ' H37' ' HG2' ' A' ' 64' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.558 0 CA-C-O 120.548 0.213 . . . . 2.17 110.922 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -158.54 152.4 23.58 Favored 'General case' 0 CA--C 1.516 -0.365 0 N-CA-C 108.821 -0.807 . . . . 1.12 108.821 178.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.698 ' O ' HG12 ' A' ' 7' ' ' ILE . 1.2 m -109.65 -162.45 0.81 Allowed 'General case' 0 C--N 1.313 -1.005 0 CA-C-O 118.666 -0.683 . . . . 1.57 110.082 179.741 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.472 ' H ' HG22 ' A' ' 3' ' ' THR . 8.7 tt0 -53.85 -56.73 14.96 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 115.01 1.485 . . . . 1.76 115.01 -165.65 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -67.22 -35.98 80.71 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 120.893 0.378 . . . . 3.05 110.777 -176.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -68.55 -32.18 71.93 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 115.576 -0.738 . . . . 2.53 111.196 177.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.698 HG12 ' O ' ' A' ' 3' ' ' THR . 43.0 mm -67.88 -51.68 47.47 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.544 0 N-CA-C 107.884 -1.154 . . . . 0.45 107.884 177.743 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.531 HG11 ' HD3' ' A' ' 27' ' ' LYS . 56.5 t -49.06 -47.48 17.31 Favored 'Isoleucine or valine' 0 C--O 1.242 0.688 0 C-N-CA 123.994 0.918 . . . . 0.57 111.092 177.58 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.416 ' O ' ' HG3' ' A' ' 13' ' ' GLU . . . -61.84 -44.41 96.9 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.834 -0.621 . . . . 0.48 111.174 179.476 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -69.08 -37.29 82.29 Favored Glycine 0 N--CA 1.445 -0.743 0 CA-C-N 115.9 -0.591 . . . . 0.37 111.93 -177.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 7' ' ' ILE . 91.3 mt -57.28 -46.61 82.94 Favored 'General case' 0 CA--C 1.506 -0.725 0 CA-C-O 121.047 0.451 . . . . 0.33 110.032 178.286 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.641 ' HB2' ' HB ' ' A' ' 26' ' ' VAL . . . -70.63 -24.85 62.8 Favored 'General case' 0 N--CA 1.429 -1.488 0 CA-C-N 115.619 -0.719 . . . . 0.28 111.816 -179.086 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.416 ' HG3' ' O ' ' A' ' 9' ' ' ALA . 47.3 mt-10 -61.47 -47.28 86.38 Favored 'General case' 0 CA--C 1.509 -0.63 0 C-N-CA 121.04 -0.264 . . . . 2.48 110.444 176.042 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.512 HG21 ' HA ' ' A' ' 46' ' ' VAL . 3.1 mp -73.26 -44.01 56.08 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.882 0 C-N-CA 119.734 -0.786 . . . . 0.44 109.584 177.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.493 HG12 HG13 ' A' ' 21' ' ' ILE . 48.3 t -63.58 -23.72 34.05 Favored 'Isoleucine or valine' 0 CA--C 1.571 1.763 0 C-N-CA 120.107 -0.637 . . . . 0.34 112.268 -179.323 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -70.14 -39.46 75.39 Favored 'General case' 0 N--CA 1.477 0.899 0 O-C-N 121.466 -0.771 . . . . 0.95 110.977 176.502 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -79.19 -28.73 42.65 Favored 'General case' 0 C--N 1.318 -0.769 0 C-N-CA 119.735 -0.786 . . . . 2.11 111.176 179.407 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 46.2 mm -81.95 -53.78 11.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 116.497 -0.32 . . . . 0.71 111.687 179.592 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -107.38 -18.23 13.92 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 113.378 0.881 . . . . 0.68 113.378 -173.132 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.54 24.95 40.8 Favored Glycine 0 C--N 1.318 -0.468 0 C-N-CA 120.669 -0.777 . . . . 0.93 113.568 177.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.493 HG13 HG12 ' A' ' 15' ' ' VAL . 2.5 pp -80.3 155.1 74.54 Favored Pre-proline 0 C--N 1.311 -1.068 0 N-CA-C 112.017 0.377 . . . . 0.6 112.017 -179.809 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_exo -65.37 148.3 88.09 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 122.075 1.85 . . . . 0.75 109.274 172.123 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.432 HG23 ' HB3' ' A' ' 12' ' ' ALA . 13.1 p -71.22 -16.8 19.55 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.018 0 CA-C-O 121.701 0.762 . . . . 1.48 111.228 -176.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -87.78 -6.58 58.09 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.851 -0.613 . . . . 2.03 110.463 176.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.497 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 35.6 t70 -79.36 -43.39 23.57 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-O 120.742 0.306 . . . . 1.07 111.335 -174.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.641 ' HB ' ' HB2' ' A' ' 12' ' ' ALA . 70.3 t -82.1 92.67 2.41 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.061 0 N-CA-C 109.172 -0.677 . . . . 0.73 109.172 179.124 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.531 ' HD3' HG11 ' A' ' 8' ' ' VAL . 53.1 mmtt -125.6 176.95 6.51 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 115.432 -0.804 . . . . 2.83 109.928 179.048 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.585 HD12 ' HA2' ' A' ' 70' ' ' GLY . 3.1 mm? -54.89 -35.51 64.18 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.931 0.892 . . . . 1.07 112.777 -172.46 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -77.59 -3.77 42.48 Favored 'General case' 0 C--N 1.316 -0.883 0 C-N-CA 123.588 0.755 . . . . 2.47 112.601 -175.533 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.497 ' HG3' ' O ' ' A' ' 25' ' ' ASP . 35.8 mmtp -103.03 142.24 34.45 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 122.207 -0.308 . . . . 1.06 111.299 -176.562 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.682 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 26.8 t -108.73 149.73 28.6 Favored 'General case' 0 C--O 1.255 1.359 0 N-CA-C 107.579 -1.267 . . . . 1.31 107.579 168.737 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.635 ' HA ' HD12 ' A' ' 36' ' ' LEU . 65.8 m-85 -61.71 -49.82 74.93 Favored 'General case' 0 C--O 1.215 -0.713 0 N-CA-C 115.089 1.515 . . . . 1.03 115.089 -167.71 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.596 HG21 ' HB3' ' A' ' 40' ' ' SER . 13.5 t -119.06 46.07 1.96 Allowed 'General case' 0 C--N 1.295 -1.796 0 C-N-CA 117.912 -1.515 . . . . 1.37 110.308 177.154 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.595 ' HB2' ' HB3' ' A' ' 31' ' ' SER . 22.4 m-20 -136.05 -47.84 0.66 Allowed 'General case' 0 CA--C 1.496 -1.119 0 CA-C-N 114.035 -1.439 . . . . 2.31 108.498 175.663 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -107.86 -32.22 7.69 Favored 'General case' 0 CA--C 1.481 -1.685 0 CA-C-N 115.294 -0.866 . . . . 1.67 110.322 -178.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.635 HD12 ' HA ' ' A' ' 32' ' ' PHE . 77.2 mt -89.69 156.26 18.67 Favored 'General case' 0 N--CA 1.426 -1.633 0 N-CA-C 107.875 -1.157 . . . . 0.69 107.875 178.344 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -92.88 18.84 8.4 Favored 'General case' 0 C--N 1.302 -1.498 0 CA-C-O 122.828 1.299 . . . . 2.15 109.437 -179.254 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.493 HG23 ' HB3' ' A' ' 36' ' ' LEU . 21.7 t -89.53 100.63 11.12 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.015 0 CA-C-N 113.731 -1.577 . . . . 2.23 107.856 -178.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -56.64 149.2 18.16 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 109.74 -0.467 . . . . 2.96 109.74 177.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.596 ' HB3' HG21 ' A' ' 33' ' ' THR . 35.8 p -60.74 -40.23 91.65 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 112.654 0.613 . . . . 1.19 112.654 -175.182 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.1 mp -65.84 -23.03 66.59 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.505 0.669 . . . . 1.34 110.415 -179.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 48.9 m -81.99 -30.58 31.54 Favored 'General case' 0 N--CA 1.435 -1.178 0 CA-C-N 115.349 -0.841 . . . . 1.26 110.684 178.163 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.466 ' SD ' ' H5A' ' A' ' 101' ' ' SXO . 9.0 tmm? -70.08 -23.0 62.99 Favored 'General case' 0 C--O 1.219 -0.509 0 N-CA-C 108.95 -0.759 . . . . 0.97 108.95 -178.566 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.606 HG22 ' H37' ' A' ' 101' ' ' SXO . 43.2 t -57.12 -31.89 38.6 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.165 0 CA-C-N 115.526 -0.761 . . . . 0.65 110.533 178.38 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -74.67 -29.1 61.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.72 0.772 . . . . 2.06 109.733 178.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.512 ' HA ' HG21 ' A' ' 14' ' ' ILE . 93.8 t -75.21 -58.91 3.82 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.068 0 CA-C-N 114.787 -1.097 . . . . 1.43 110.394 -178.243 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.429 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 12.1 p -51.7 -42.07 30.34 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.924 0 N-CA-C 113.327 0.862 . . . . 0.53 113.327 -175.589 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 11.5 p -69.94 -23.11 25.15 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.994 0 CA-C-O 121.576 0.703 . . . . 0.65 111.018 -178.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -86.21 -29.16 23.39 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.595 0.712 . . . . 0.32 109.233 177.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.64 -27.73 63.28 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.684 -0.689 . . . . 0.36 111.491 -179.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.431 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 91.7 mt-10 -53.95 -51.22 64.5 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-O 121.698 0.761 . . . . 0.78 110.247 177.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -79.74 -31.7 41.05 Favored 'General case' 0 C--N 1.307 -1.264 0 CA-C-N 115.391 -0.822 . . . . 0.96 111.453 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -62.86 -45.87 90.55 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 122.765 0.426 . . . . 3.85 110.98 -176.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.541 ' HB2' HG12 ' A' ' 56' ' ' VAL . 59.1 m-85 -104.05 6.52 36.05 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 120.541 -0.464 . . . . 0.4 112.137 -176.269 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 31.8 t70 63.34 38.17 10.4 Favored 'General case' 0 N--CA 1.489 1.487 0 CA-C-O 122.886 1.327 . . . . 1.95 110.454 177.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.956 HG11 HG23 ' A' ' 76' ' ' ILE . 6.8 p -131.97 104.66 8.48 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.277 0 CA-C-N 115.027 -0.988 . . . . 1.37 110.929 -176.273 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -72.77 93.95 1.73 Allowed 'General case' 0 C--N 1.292 -1.912 0 CA-C-N 115.124 -0.944 . . . . 3.34 108.946 176.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.589 HD11 HG12 ' A' ' 76' ' ' ILE . 73.7 mt -88.42 112.7 51.58 Favored Pre-proline 0 C--N 1.305 -1.337 0 CA-C-N 115.474 -0.785 . . . . 0.57 109.37 -179.118 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.45 ' O ' HG23 ' A' ' 63' ' ' VAL . 34.6 Cg_exo -63.8 146.78 92.27 Favored 'Trans proline' 0 N--CA 1.456 -0.711 0 C-N-CA 122.7 2.267 . . . . 0.63 110.798 179.377 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -53.88 -33.11 55.5 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.418 0.687 . . . . 2.3 111.149 -179.518 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -62.99 -44.55 95.71 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.672 -0.695 . . . . 2.38 110.767 177.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.525 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 6.7 m-20 -71.67 -29.8 65.01 Favored 'General case' 0 CA--C 1.499 -0.992 0 CA-C-N 116.159 -0.473 . . . . 1.52 111.988 -178.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 59' ' ' PRO . 59.9 t -60.5 -41.18 86.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 109.078 -0.712 . . . . 0.79 109.078 176.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -76.41 -13.41 60.12 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.214 -0.903 . . . . 1.24 111.136 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -89.88 -24.17 21.44 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-O 120.927 0.394 . . . . 2.07 110.888 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' A' ' 62' ' ' ASP . 91.2 mt -77.55 169.53 18.14 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.361 -0.381 . . . . 0.6 110.286 -178.131 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.423 ' HG3' ' H ' ' A' ' 68' ' ' THR . 38.4 pttt -148.86 -75.09 0.17 Allowed 'General case' 0 C--N 1.311 -1.081 0 N-CA-C 112.368 0.507 . . . . 2.69 112.368 -177.809 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.682 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 69.5 p -85.96 175.32 8.67 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.906 -0.496 . . . . 0.46 110.213 -179.304 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 88.8 t -70.51 -37.09 68.85 Favored 'Isoleucine or valine' 0 N--CA 1.408 -2.538 0 N-CA-C 107.225 -1.398 . . . . 0.66 107.225 173.178 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.585 ' HA2' HD12 ' A' ' 28' ' ' LEU . . . -63.13 -37.38 94.82 Favored Glycine 0 N--CA 1.45 -0.409 0 CA-C-N 115.553 -0.749 . . . . 0.46 112.634 177.744 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -77.16 -36.64 55.04 Favored 'General case' 0 C--N 1.315 -0.921 0 O-C-N 122.332 -0.51 . . . . 1.62 110.411 179.058 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.434 ' HA ' HD22 ' A' ' 66' ' ' LEU . . . -66.03 -53.78 34.22 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.544 -0.753 . . . . 0.51 110.791 -177.624 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.404 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 14.6 p -50.06 -53.01 29.92 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 123.869 0.868 . . . . 0.46 111.525 -178.821 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 21.5 tptm -51.14 -40.19 57.99 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.316 1.446 . . . . 3.54 111.416 -178.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.481 ' HE2' HG23 ' A' ' 58' ' ' ILE . 61.5 t80 -76.55 -48.21 20.07 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 120.755 0.312 . . . . 0.83 110.639 177.073 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.956 HG23 HG11 ' A' ' 56' ' ' VAL . 94.5 mt -50.4 -57.53 2.41 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 C-N-CA 123.982 0.913 . . . . 0.65 111.341 -178.782 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.455 ' HA ' ' NE2' ' A' ' 80' ' ' GLN . 4.5 pp -64.76 -21.84 66.85 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 112.905 0.705 . . . . 1.74 112.905 -178.021 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -88.14 -29.35 20.63 Favored 'General case' 0 C--N 1.3 -1.583 0 C-N-CA 120.523 -0.471 . . . . 1.32 111.303 -178.164 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 52.0 t60 -93.47 -7.82 43.34 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-O 120.959 0.409 . . . . 2.89 111.448 -177.028 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.691 ' HB3' ' HB ' ' A' ' 56' ' ' VAL . 9.8 pt20 -91.56 -173.9 3.71 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 109.415 -0.587 . . . . 2.23 109.415 176.4 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.43 -1.467 0 N-CA-C 108.547 -0.909 . . . . 3.38 108.547 175.68 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' SXO . . . . . 0.673 ' H8B' HD11 ' A' ' 76' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.711 0 N-CA-C 108.241 -1.022 . . . . 2.17 108.241 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -82.88 120.19 25.35 Favored 'General case' 0 C--N 1.304 -1.376 0 CA-C-O 120.833 0.349 . . . . 1.12 110.339 -179.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.508 ' O ' HG12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -92.6 -164.67 1.21 Allowed 'General case' 0 C--N 1.307 -1.246 0 CA-C-O 119.14 -0.457 . . . . 1.57 110.285 -178.2 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.594 ' HB2' HD11 ' A' ' 28' ' ' LEU . 0.3 OUTLIER -60.64 -40.22 91.16 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 114.431 1.271 . . . . 1.76 114.431 -170.375 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -68.06 -45.22 74.45 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.408 0.623 . . . . 3.05 109.457 179.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -64.66 -37.65 88.3 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 114.581 -1.19 . . . . 2.53 110.372 -179.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.508 HG12 ' O ' ' A' ' 3' ' ' THR . 39.2 mm -71.24 -52.84 23.96 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.378 0 CA-C-N 116.124 -0.489 . . . . 0.45 110.262 179.213 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.495 ' HA ' HD12 ' A' ' 11' ' ' LEU . 93.3 t -59.94 -36.98 70.2 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 N-CA-C 112.071 0.397 . . . . 0.57 112.071 -178.558 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.69 -34.02 76.27 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 121.127 0.489 . . . . 0.48 110.54 176.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.523 ' O ' ' HB3' ' A' ' 13' ' ' GLU . . . -77.53 -36.91 32.35 Favored Glycine 0 N--CA 1.439 -1.112 0 N-CA-C 110.684 -0.966 . . . . 0.37 110.684 176.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.495 HD12 ' HA ' ' A' ' 8' ' ' VAL . 95.1 mt -58.58 -51.72 68.69 Favored 'General case' 0 CA--C 1.51 -0.565 0 CA-C-O 121.294 0.569 . . . . 0.33 109.661 177.164 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.413 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -67.71 -18.67 64.99 Favored 'General case' 0 C--O 1.202 -1.442 0 CA-C-N 115.25 -0.886 . . . . 0.28 112.095 -178.424 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.523 ' HB3' ' O ' ' A' ' 10' ' ' GLY . 7.6 tp10 -66.27 -52.61 45.79 Favored 'General case' 0 N--CA 1.425 -1.724 0 N-CA-C 109.05 -0.722 . . . . 2.48 109.05 177.354 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.529 HG21 ' HA ' ' A' ' 46' ' ' VAL . 3.8 mp -72.41 -35.66 52.45 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.941 0 C-N-CA 119.614 -0.835 . . . . 0.44 109.607 178.133 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 56.2 t -67.07 -23.3 30.48 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.18 0 CA-C-O 121.274 0.559 . . . . 0.34 111.582 178.39 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.458 ' O ' ' HA2' ' A' ' 20' ' ' GLY . 28.1 t-20 -72.0 -29.86 64.64 Favored 'General case' 0 C--N 1.313 -1.018 0 O-C-N 121.473 -0.767 . . . . 0.95 109.946 175.497 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -80.86 -40.03 25.46 Favored 'General case' 0 C--N 1.302 -1.462 0 CA-C-N 115.619 -0.719 . . . . 2.11 109.738 178.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.479 HG13 HG22 ' A' ' 46' ' ' VAL . 47.2 mm -78.82 -53.46 13.62 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.267 0 CA-C-N 115.936 -0.574 . . . . 0.71 111.514 -177.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -100.04 -49.52 4.28 Favored 'General case' 0 C--N 1.302 -1.48 0 CA-C-O 120.802 0.334 . . . . 0.68 110.786 -176.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.458 ' HA2' ' O ' ' A' ' 16' ' ' ASN . . . 116.35 3.58 18.85 Favored Glycine 0 C--N 1.315 -0.608 0 C-N-CA 119.653 -1.261 . . . . 0.93 114.192 178.252 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.609 HG21 HD22 ' A' ' 36' ' ' LEU . 2.2 pp -64.63 146.95 98.15 Favored Pre-proline 0 C--N 1.317 -0.829 0 N-CA-C 112.513 0.56 . . . . 0.6 112.513 178.566 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 21' ' ' ILE . 13.4 Cg_exo -70.22 135.11 28.55 Favored 'Trans proline' 0 N--CA 1.445 -1.325 0 C-N-CA 122.299 1.999 . . . . 0.75 109.811 177.293 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.413 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 33.7 m -63.88 -28.88 45.88 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.951 0 CA-C-O 121.351 0.596 . . . . 1.48 110.599 -178.224 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -74.48 -14.84 60.88 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.329 -0.851 . . . . 2.03 110.788 -179.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -92.83 -19.12 22.04 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-O 121.271 0.558 . . . . 1.07 110.84 -175.14 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.721 ' HA ' ' HG3' ' A' ' 30' ' ' LYS . 39.8 t -94.03 94.96 4.85 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.583 0 CA-C-N 116.016 -0.538 . . . . 0.73 110.922 -176.139 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -93.68 -169.62 2.15 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 107.156 -1.424 . . . . 2.83 107.156 172.012 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.594 HD11 ' HB2' ' A' ' 4' ' ' GLN . 4.4 mm? -73.22 -11.91 60.68 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 112.353 0.501 . . . . 1.07 112.353 -178.524 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -90.3 18.46 6.04 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 121.535 0.683 . . . . 2.47 110.818 -177.135 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.721 ' HG3' ' HA ' ' A' ' 26' ' ' VAL . 72.3 mmtt -104.38 166.78 10.17 Favored 'General case' 0 C--N 1.303 -1.445 0 CA-C-O 121.574 0.702 . . . . 1.06 110.372 179.255 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.45 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 30.8 t -140.28 161.92 36.52 Favored 'General case' 0 C--N 1.286 -2.191 0 N-CA-C 106.162 -1.792 . . . . 1.31 106.162 176.226 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.501 ' CE2' ' H5 ' ' A' ' 101' ' ' SXO . 97.6 m-85 -77.67 -48.43 16.79 Favored 'General case' 0 CA--C 1.48 -1.716 0 C-N-CA 120.708 -0.397 . . . . 1.03 110.033 -171.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.621 HG21 ' OG ' ' A' ' 40' ' ' SER . 76.4 p -119.43 -2.24 10.6 Favored 'General case' 0 N--CA 1.412 -2.361 0 C-N-CA 118.033 -1.467 . . . . 1.37 113.64 -179.295 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -91.93 -25.49 18.87 Favored 'General case' 0 CA--C 1.484 -1.586 0 C-N-CA 120.007 -0.677 . . . . 2.31 110.059 176.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.411 ' HB3' ' H ' ' A' ' 31' ' ' SER . 10.8 t70 -117.88 -52.08 2.44 Favored 'General case' 0 C--N 1.309 -1.191 0 C-N-CA 120.082 -0.647 . . . . 1.67 109.557 178.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.609 HD22 HG21 ' A' ' 21' ' ' ILE . 82.9 mt -75.07 168.06 20.71 Favored 'General case' 0 C--O 1.241 0.647 0 CA-C-O 121.153 0.501 . . . . 0.69 110.813 -176.778 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -92.22 10.9 27.59 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 115.9 -0.591 . . . . 2.15 110.687 -173.145 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.533 HG11 ' HB2' ' A' ' 43' ' ' MET . 47.0 t -52.41 130.92 13.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 C-N-CA 123.706 0.802 . . . . 2.23 111.016 -177.106 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -70.35 16.73 0.07 Allowed 'General case' 0 CA--C 1.568 1.65 0 C-N-CA 125.621 1.568 . . . . 2.96 112.474 -176.399 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.621 ' OG ' HG21 ' A' ' 33' ' ' THR . 3.5 m 63.48 -74.13 0.04 OUTLIER 'General case' 0 CA--C 1.513 -0.475 0 N-CA-C 115.161 1.541 . . . . 1.19 115.161 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.9 mp -61.88 -25.8 67.76 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 122.212 1.006 . . . . 1.34 109.758 -176.375 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 41.3 m -74.95 -20.12 59.82 Favored 'General case' 0 C--N 1.301 -1.506 0 CA-C-N 114.34 -1.3 . . . . 1.26 112.268 179.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.533 ' HB2' HG11 ' A' ' 38' ' ' VAL . 8.0 tmm? -74.54 -21.6 59.44 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 108.454 -0.943 . . . . 0.97 108.454 -179.187 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 37.2 t -61.27 -27.19 41.32 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.488 0 CA-C-N 115.621 -0.718 . . . . 0.65 109.778 178.138 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -79.93 -18.4 50.6 Favored 'General case' 0 C--N 1.34 0.18 0 CA-C-N 115.937 -0.574 . . . . 2.06 111.187 175.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.529 ' HA ' HG21 ' A' ' 14' ' ' ILE . 94.8 t -77.58 -58.18 4.63 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.003 0 N-CA-C 108.093 -1.076 . . . . 1.43 108.093 176.286 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.418 HG11 HG11 ' A' ' 63' ' ' VAL . 11.9 p -57.46 -34.45 46.71 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.235 0 N-CA-C 113.486 0.921 . . . . 0.53 113.486 -176.777 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 14.8 p -66.58 -31.12 52.12 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.827 0 CA-C-O 121.507 0.67 . . . . 0.65 110.165 177.355 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.544 ' O ' ' HB2' ' A' ' 53' ' ' ARG . . . -82.7 -25.01 33.38 Favored 'General case' 0 N--CA 1.443 -0.806 0 N-CA-C 109.223 -0.658 . . . . 0.32 109.223 178.253 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.43 -38.13 80.9 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-N 115.751 -0.658 . . . . 0.36 111.43 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.439 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 41.0 mt-10 -53.32 -54.02 42.48 Favored 'General case' 0 C--O 1.214 -0.814 0 CA-C-O 121.275 0.56 . . . . 0.78 110.742 178.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -72.62 -31.92 65.53 Favored 'General case' 0 C--N 1.306 -1.316 0 CA-C-N 115.567 -0.742 . . . . 0.96 111.749 -179.009 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.544 ' HB2' ' O ' ' A' ' 49' ' ' ALA . 4.0 tpt180 -66.59 -40.51 88.94 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.166 0.507 . . . . 3.85 110.36 -176.602 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.447 ' HB2' HG12 ' A' ' 56' ' ' VAL . 36.4 m-85 -104.32 1.25 30.12 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 116.191 -0.459 . . . . 0.4 110.981 -177.578 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.435 ' HB3' ' CB ' ' A' ' 81' ' ' ALA . 29.8 t70 60.89 34.11 19.68 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.963 1.305 . . . . 1.95 110.73 177.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.587 HG11 HG23 ' A' ' 76' ' ' ILE . 5.6 p -138.1 109.03 5.36 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.129 0 CA-C-N 114.971 -1.013 . . . . 1.37 109.273 -178.41 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -74.03 143.26 45.6 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 115.326 -0.852 . . . . 3.34 112.732 -177.115 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.497 HG12 ' HE2' ' A' ' 75' ' ' TYR . 28.9 mt -132.54 100.35 15.09 Favored Pre-proline 0 C--N 1.306 -1.302 0 CA-C-N 114.593 -1.185 . . . . 0.57 108.492 -174.733 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.485 ' O ' HG23 ' A' ' 63' ' ' VAL . 52.3 Cg_exo -57.03 137.41 81.83 Favored 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 123.123 2.549 . . . . 0.63 111.676 178.395 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -47.99 -41.62 25.83 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 125.461 1.504 . . . . 2.3 112.673 -175.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -59.48 -43.95 93.15 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.866 -0.606 . . . . 2.38 111.777 178.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.438 ' HA ' ' ND2' ' A' ' 65' ' ' ASN . 10.8 t70 -86.2 -19.65 29.71 Favored 'General case' 0 C--N 1.314 -0.96 0 C-N-CA 120.657 -0.417 . . . . 1.52 111.562 -174.098 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 59' ' ' PRO . 83.4 t -53.87 -56.83 7.32 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.107 0 N-CA-C 108.887 -0.783 . . . . 0.79 108.887 174.782 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt -72.16 -2.07 17.32 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.162 -0.927 . . . . 1.24 112.817 -173.441 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.438 ' ND2' ' HA ' ' A' ' 62' ' ' ASP . 92.7 m-20 -83.26 -14.44 53.15 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.793 -0.639 . . . . 2.07 109.534 175.237 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.616 ' HB2' ' H4A' ' A' ' 101' ' ' SXO . 77.2 mt -87.75 177.07 7.12 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 109.162 -0.681 . . . . 0.6 109.162 179.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.429 ' HG3' ' H ' ' A' ' 68' ' ' THR . 14.9 ptpt -149.33 -70.61 0.2 Allowed 'General case' 0 C--N 1.312 -1.032 0 N-CA-C 113.691 0.997 . . . . 2.69 113.691 -177.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.448 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 73.8 p -88.77 -178.74 5.84 Favored 'General case' 0 N--CA 1.438 -1.066 0 O-C-N 121.657 -0.652 . . . . 0.46 109.431 -178.517 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 28.6 m -83.59 -13.56 11.8 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 C-N-CA 119.455 -0.898 . . . . 0.66 109.002 175.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.576 ' HA2' HD12 ' A' ' 28' ' ' LEU . . . -83.42 -29.8 32.12 Favored Glycine 0 N--CA 1.439 -1.147 0 N-CA-C 110.029 -1.229 . . . . 0.46 110.029 175.663 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.491 ' OD2' ' HA ' ' A' ' 66' ' ' LEU . 35.7 t70 -83.07 -34.78 26.11 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 120.981 0.419 . . . . 1.62 110.292 176.653 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.572 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -64.82 -32.59 74.36 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.292 0.568 . . . . 0.51 111.125 -179.645 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.9 p -72.73 -21.58 61.01 Favored 'General case' 0 N--CA 1.413 -2.284 0 CA-C-N 115.766 -0.652 . . . . 0.46 112.61 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 55.5 tptt -61.21 -50.17 74.18 Favored 'General case' 0 C--O 1.219 -0.501 0 C-N-CA 123.032 0.533 . . . . 3.54 110.444 -179.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.497 ' HE2' HG12 ' A' ' 58' ' ' ILE . 85.9 t80 -62.19 -41.12 98.05 Favored 'General case' 0 C--O 1.244 0.799 0 CA-C-O 121.848 0.832 . . . . 0.83 110.869 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.587 HG23 HG11 ' A' ' 56' ' ' VAL . 93.8 mt -66.68 -65.37 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.455 0 CA-C-N 114.718 -1.128 . . . . 0.65 110.384 -178.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.501 ' HA ' ' CG ' ' A' ' 80' ' ' GLN . 10.8 mp -54.55 -21.98 11.81 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 125.191 1.396 . . . . 1.74 112.986 178.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -65.05 -46.67 80.29 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-O 120.907 0.384 . . . . 1.32 110.644 174.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -98.76 -60.56 1.52 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.618 0.247 . . . . 2.89 111.129 -178.374 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.501 ' CG ' ' HA ' ' A' ' 77' ' ' LEU . 38.6 mt-30 62.76 173.07 0.15 Allowed 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 126.038 1.735 . . . . 2.23 113.109 -179.129 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.435 ' CB ' ' HB3' ' A' ' 55' ' ' ASP . . . . . . . . 0 C--N 1.3 -1.566 0 CA-C-N 115.48 -0.782 . . . . 3.38 109.142 176.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' SXO . . . . . 0.616 ' H4A' ' HB2' ' A' ' 66' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.487 ' HA ' ' OE1' ' A' ' 80' ' ' GLN . . . . . . . . 0 C--O 1.241 0.627 0 CA-C-O 120.981 0.419 . . . . 2.17 111.768 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -90.73 147.88 22.95 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 107.576 -1.268 . . . . 1.12 107.576 175.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.601 ' O ' HG12 ' A' ' 7' ' ' ILE . 0.3 OUTLIER -93.18 175.72 6.67 Favored 'General case' 0 C--N 1.3 -1.558 0 C-N-CA 118.956 -1.098 . . . . 1.57 111.862 -174.873 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.481 ' H ' HG22 ' A' ' 3' ' ' THR . 3.9 pt20 -54.22 -41.02 68.2 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 114.206 1.188 . . . . 1.76 114.206 -170.065 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -65.69 -45.21 83.66 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.426 -0.583 . . . . 3.05 109.426 178.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 -59.97 -41.02 91.07 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 115.54 -0.755 . . . . 2.53 109.859 176.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.601 HG12 ' O ' ' A' ' 3' ' ' THR . 48.7 mm -62.18 -58.74 6.21 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.236 0 CA-C-N 115.428 -0.805 . . . . 0.45 109.625 179.612 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.549 ' HA ' HD12 ' A' ' 11' ' ' LEU . 94.2 t -54.42 -49.96 61.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 123.447 0.699 . . . . 0.57 111.68 -178.247 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.43 -36.74 74.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.435 -0.348 . . . . 0.48 110.934 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.433 ' C ' ' HZ ' ' A' ' 54' ' ' PHE . . . -70.68 -39.82 66.46 Favored Glycine 0 N--CA 1.445 -0.758 0 N-CA-C 110.74 -0.944 . . . . 0.37 110.74 178.66 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.549 HD12 ' HA ' ' A' ' 8' ' ' VAL . 96.9 mt -55.56 -46.24 77.2 Favored 'General case' 0 C--O 1.24 0.556 0 C-N-CA 123.342 0.657 . . . . 0.33 110.059 178.748 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.42 -23.9 67.06 Favored 'General case' 0 N--CA 1.44 -0.936 0 CA-C-N 115.275 -0.875 . . . . 0.28 112.259 -178.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -66.31 -43.77 85.27 Favored 'General case' 0 CA--C 1.508 -0.642 0 N-CA-C 110.454 -0.202 . . . . 2.48 110.454 177.36 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.839 ' HB ' HG23 ' A' ' 46' ' ' VAL . 4.6 mp -78.46 -36.85 20.77 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.876 0 C-N-CA 119.016 -1.074 . . . . 0.44 109.089 178.175 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.596 HG23 HG21 ' A' ' 46' ' ' VAL . 97.8 t -63.73 -23.18 32.7 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.316 0 CA-C-O 121.589 0.709 . . . . 0.34 111.618 177.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -66.36 -28.48 68.68 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.301 0.572 . . . . 0.95 110.159 174.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -83.43 -43.82 15.44 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 109.054 -0.721 . . . . 2.11 109.054 174.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.613 HG13 ' HB ' ' A' ' 46' ' ' VAL . 51.0 mm -58.04 -52.64 55.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.291 -0.868 . . . . 0.71 111.01 -178.259 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -124.23 -42.67 2.11 Favored 'General case' 0 C--N 1.313 -1.008 0 N-CA-C 112.196 0.443 . . . . 0.68 112.196 -177.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 106.23 52.82 0.76 Allowed Glycine 0 C--N 1.316 -0.567 0 C-N-CA 119.506 -1.33 . . . . 0.93 112.621 -179.365 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.466 HG13 HG12 ' A' ' 15' ' ' VAL . 1.8 pp -98.87 161.49 24.74 Favored Pre-proline 0 C--N 1.307 -1.254 0 O-C-N 122.72 -0.283 . . . . 0.6 110.926 177.682 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.449 ' HB2' ' HB2' ' A' ' 25' ' ' ASP . 16.3 Cg_exo -73.38 131.37 16.24 Favored 'Trans proline' 0 N--CA 1.451 -0.987 0 C-N-CA 122.547 2.164 . . . . 0.75 109.787 175.457 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 14.0 p -61.24 -33.03 54.63 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.143 0 N-CA-C 112.305 0.483 . . . . 1.48 112.305 -176.162 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -89.12 -2.9 58.74 Favored 'General case' 0 C--N 1.32 -0.685 0 O-C-N 122.08 -0.388 . . . . 2.03 111.532 -179.066 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.449 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 24.7 t70 -85.1 -28.56 25.51 Favored 'General case' 0 C--O 1.24 0.598 0 CA-C-O 121.903 0.859 . . . . 1.07 109.552 -177.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 32.9 t -82.06 95.35 3.07 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.581 0 CA-C-N 114.385 -1.28 . . . . 0.73 109.472 -179.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -106.95 178.34 4.59 Favored 'General case' 0 C--N 1.309 -1.188 0 N-CA-C 109.134 -0.691 . . . . 2.83 109.134 173.226 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.451 HD13 HG21 ' A' ' 8' ' ' VAL . 3.8 mm? -51.29 -36.91 44.68 Favored 'General case' 0 N--CA 1.484 1.27 0 N-CA-C 114.659 1.355 . . . . 1.07 114.659 -172.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -85.0 10.96 10.46 Favored 'General case' 0 C--N 1.304 -1.376 0 N-CA-C 112.939 0.718 . . . . 2.47 112.939 -176.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.518 ' HD2' ' HB3' ' A' ' 35' ' ' ASP . 74.9 mmtt -98.17 140.97 31.69 Favored 'General case' 0 C--N 1.309 -1.182 0 O-C-N 122.268 -0.27 . . . . 1.06 110.655 179.138 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.67 ' OG ' ' HB2' ' A' ' 34' ' ' ASP . 8.7 p -113.89 163.77 14.65 Favored 'General case' 0 C--N 1.295 -1.793 0 N-CA-C 107.808 -1.182 . . . . 1.31 107.808 175.232 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.456 ' O ' ' HB2' ' A' ' 36' ' ' LEU . 91.1 m-85 -74.02 -39.64 63.44 Favored 'General case' 0 N--CA 1.445 -0.689 0 N-CA-C 113.396 0.888 . . . . 1.03 113.396 -170.392 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.644 HG21 ' HB3' ' A' ' 40' ' ' SER . 8.9 t -128.42 30.66 5.14 Favored 'General case' 0 C--N 1.298 -1.656 0 CA-C-O 122.885 1.326 . . . . 1.37 111.594 -175.771 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.67 ' HB2' ' OG ' ' A' ' 31' ' ' SER . 2.8 m-20 -126.94 -61.72 1.16 Allowed 'General case' 0 C--N 1.298 -1.636 0 CA-C-N 114.788 -1.097 . . . . 2.31 108.139 174.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.518 ' HB3' ' HD2' ' A' ' 30' ' ' LYS . 2.8 m-20 -80.9 -39.75 25.79 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 116.316 -0.402 . . . . 1.67 110.793 174.296 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.456 ' HB2' ' O ' ' A' ' 32' ' ' PHE . 77.4 mt -90.93 177.97 6.15 Favored 'General case' 0 N--CA 1.43 -1.464 0 C-N-CA 120.25 -0.58 . . . . 0.69 109.504 -179.059 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -124.3 72.48 1.19 Allowed 'General case' 0 C--N 1.294 -1.842 0 N-CA-C 106.416 -1.698 . . . . 2.15 106.416 -178.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 48.6 t -131.46 113.72 23.96 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.702 0 CA-C-N 113.411 -1.722 . . . . 2.23 107.865 -173.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -49.41 125.09 10.44 Favored 'General case' 0 CA--C 1.51 -0.589 0 O-C-N 124.236 0.96 . . . . 2.96 109.533 176.583 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.644 ' HB3' HG21 ' A' ' 33' ' ' THR . 78.6 p -72.22 -35.58 68.93 Favored 'General case' 0 C--N 1.279 -2.477 0 CA-C-N 115.008 -0.996 . . . . 1.19 112.064 -172.737 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.7 mp -64.83 -30.06 71.05 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.036 -1.098 . . . . 1.34 108.036 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 27.6 m -80.41 -15.3 57.15 Favored 'General case' 0 N--CA 1.434 -1.25 0 CA-C-N 114.106 -1.407 . . . . 1.26 111.692 179.272 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 30.4 ttp -67.73 -22.16 65.26 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-O 121.291 0.567 . . . . 0.97 110.341 -177.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.507 ' HA ' HG12 ' A' ' 47' ' ' VAL . 59.2 t -54.1 -40.2 45.25 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.468 0 CA-C-N 115.597 -0.729 . . . . 0.65 109.779 177.595 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -66.5 -29.89 70.1 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.93 -0.577 . . . . 2.06 111.97 -178.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.839 HG23 ' HB ' ' A' ' 14' ' ' ILE . 7.4 p -86.7 -37.05 10.97 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.838 0 C-N-CA 120.21 -0.596 . . . . 1.43 111.692 178.65 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.507 HG12 ' HA ' ' A' ' 44' ' ' VAL . 13.8 p -64.8 -39.9 87.22 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.705 0 C-N-CA 120.16 -0.616 . . . . 0.53 111.626 -178.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 12.4 p -69.84 -22.89 25.14 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.936 0 CA-C-O 121.676 0.751 . . . . 0.65 110.599 179.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -86.22 -29.16 23.38 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 121.712 0.768 . . . . 0.32 109.752 178.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.61 -32.92 73.14 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 115.427 -0.806 . . . . 0.36 111.287 -178.3 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -53.6 -59.34 4.72 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.578 0.704 . . . . 0.78 109.766 178.22 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -69.8 -36.0 75.32 Favored 'General case' 0 C--N 1.296 -1.732 0 CA-C-N 115.33 -0.85 . . . . 0.96 113.084 -177.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -67.6 -38.51 84.09 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.005 0.431 . . . . 3.85 110.211 -176.355 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.433 ' HZ ' ' C ' ' A' ' 10' ' ' GLY . 61.8 m-85 -103.88 14.71 30.27 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 112.86 0.689 . . . . 0.4 112.86 -174.702 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.782 ' HB3' ' HB3' ' A' ' 81' ' ' ALA . 20.8 m-20 58.82 49.55 9.79 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 124.143 0.902 . . . . 1.95 110.422 178.06 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.744 HG22 ' H ' ' A' ' 57' ' ' LYS . 7.5 p -141.25 -169.76 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.295 -1.796 0 N-CA-C 109.458 -0.571 . . . . 1.37 109.458 -177.428 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.744 ' H ' HG22 ' A' ' 56' ' ' VAL . 5.4 tmtm? -146.28 133.3 20.29 Favored 'General case' 0 C--N 1.294 -1.842 0 N-CA-C 103.963 -2.606 . . . . 3.34 103.963 176.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.499 ' N ' ' HD3' ' A' ' 57' ' ' LYS . 43.5 mt -130.52 98.07 20.82 Favored Pre-proline 0 C--N 1.303 -1.424 0 N-CA-C 108.655 -0.868 . . . . 0.57 108.655 -177.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.437 ' O ' HG23 ' A' ' 63' ' ' VAL . 17.8 Cg_endo -61.16 131.15 35.26 Favored 'Trans proline' 0 N--CA 1.457 -0.675 0 C-N-CA 122.875 2.384 . . . . 0.63 111.024 179.029 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -52.82 -32.61 45.14 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.866 0.867 . . . . 2.3 112.666 -177.255 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -65.96 -34.2 77.57 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-O 120.876 0.37 . . . . 2.38 111.252 178.371 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -86.53 -23.01 26.03 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.644 -0.502 . . . . 1.52 109.644 -175.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.626 HG13 ' H5A' ' A' ' 101' ' ' SXO . 81.2 t -54.98 -58.53 3.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 CA-C-N 115.168 -0.924 . . . . 0.79 109.595 175.522 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 57.0 mttp -61.32 -16.18 43.28 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 116.049 -0.523 . . . . 1.24 112.111 -178.009 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -85.0 -23.09 28.82 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-O 120.671 0.272 . . . . 2.07 110.844 -176.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.655 HD13 ' HA ' ' A' ' 72' ' ' ALA . 77.3 mt -91.16 -176.05 4.47 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.799 -0.445 . . . . 0.6 109.799 -179.456 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.506 ' HE3' ' HB2' ' A' ' 67' ' ' LYS . 17.7 ptmt -148.27 -67.38 0.24 Allowed 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 115.584 1.698 . . . . 2.69 115.584 178.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.487 HG22 ' HB3' ' A' ' 31' ' ' SER . 65.0 p -87.03 176.5 7.6 Favored 'General case' 0 N--CA 1.44 -0.94 0 N-CA-C 109.682 -0.488 . . . . 0.46 109.682 -176.629 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 22.3 m -79.08 -19.14 12.92 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.275 0 C-N-CA 120.393 -0.523 . . . . 0.66 109.814 177.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -80.1 -30.38 42.48 Favored Glycine 0 N--CA 1.444 -0.795 0 N-CA-C 110.066 -1.214 . . . . 0.46 110.066 174.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -76.52 -31.54 57.71 Favored 'General case' 0 C--N 1.311 -1.078 0 N-CA-C 108.35 -0.981 . . . . 1.62 108.35 176.017 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.655 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -73.92 -48.02 33.65 Favored 'General case' 0 CA--C 1.505 -0.758 0 CA-C-N 114.816 -1.084 . . . . 0.51 111.636 -178.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.403 HG22 ' CG2' ' A' ' 7' ' ' ILE . 13.2 p -61.17 -23.15 65.36 Favored 'General case' 0 N--CA 1.436 -1.151 0 N-CA-C 113.042 0.756 . . . . 0.46 113.042 -177.669 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -70.1 -26.98 64.24 Favored 'General case' 0 C--N 1.319 -0.732 0 O-C-N 123.351 0.407 . . . . 3.54 110.133 -179.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.407 ' HE2' ' HA ' ' A' ' 58' ' ' ILE . 79.8 t80 -84.58 -47.34 10.65 Favored 'General case' 0 C--O 1.246 0.917 0 CA-C-O 121.671 0.748 . . . . 0.83 109.548 176.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.654 HG23 HG11 ' A' ' 56' ' ' VAL . 79.7 mt -57.15 -55.51 20.14 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.008 0 CA-C-N 114.703 -1.135 . . . . 0.65 110.316 -179.534 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.511 ' HA ' ' HG2' ' A' ' 80' ' ' GLN . 67.7 tp -65.9 -24.01 66.75 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 123.299 0.64 . . . . 1.74 111.55 -179.352 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -70.84 -42.46 70.13 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 120.742 -0.383 . . . . 1.32 111.523 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 -84.24 -62.44 1.56 Allowed 'General case' 0 C--N 1.318 -0.802 0 C-N-CA 119.325 -0.95 . . . . 2.89 110.901 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.511 ' HG2' ' HA ' ' A' ' 77' ' ' LEU . 69.3 mm-40 48.38 174.92 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 117.348 2.351 . . . . 2.23 117.348 178.298 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.782 ' HB3' ' HB3' ' A' ' 55' ' ' ASP . . . . . . . . 0 N--CA 1.436 -1.132 0 CA-C-N 113.47 -1.696 . . . . 3.38 106.634 173.327 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' SXO . . . . . 0.626 ' H5A' HG13 ' A' ' 63' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.239 0.549 0 CA-C-O 120.629 0.252 . . . . 2.17 110.639 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -158.61 137.81 11.51 Favored 'General case' 0 CA--C 1.499 -0.992 0 N-CA-C 110.241 -0.281 . . . . 1.12 110.241 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.629 ' O ' HG12 ' A' ' 7' ' ' ILE . 8.9 t -80.05 171.0 15.67 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 120.55 -0.46 . . . . 1.57 111.214 179.172 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.48 ' HG2' HD11 ' A' ' 28' ' ' LEU . 31.5 tt0 -57.52 -28.43 63.47 Favored 'General case' 0 N--CA 1.434 -1.269 0 C-N-CA 124.118 0.967 . . . . 1.76 109.844 179.335 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -71.95 -49.03 40.98 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 109.109 -0.7 . . . . 3.05 109.109 179.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -65.46 -35.89 82.25 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 114.909 -1.041 . . . . 2.53 109.859 179.569 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.629 HG12 ' O ' ' A' ' 3' ' ' THR . 37.2 mm -59.12 -56.76 14.87 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.323 0 O-C-N 123.794 0.684 . . . . 0.45 109.583 179.401 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.47 ' HA ' HD12 ' A' ' 11' ' ' LEU . 88.3 t -56.04 -47.9 79.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 CA-C-N 115.995 -0.548 . . . . 0.57 110.465 179.594 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.404 ' O ' ' HG3' ' A' ' 13' ' ' GLU . . . -56.27 -38.59 71.38 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 115.925 -0.579 . . . . 0.48 111.345 178.698 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -69.61 -39.59 78.23 Favored Glycine 0 C--O 1.227 -0.343 0 N-CA-C 111.089 -0.805 . . . . 0.37 111.089 179.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.47 HD12 ' HA ' ' A' ' 8' ' ' VAL . 96.6 mt -58.25 -46.22 86.37 Favored 'General case' 0 C--O 1.24 0.58 0 CA-C-O 121.407 0.623 . . . . 0.33 109.973 178.34 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.5 -23.66 67.49 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 114.988 -1.005 . . . . 0.28 112.648 -178.139 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.404 ' HG3' ' O ' ' A' ' 9' ' ' ALA . 43.5 mt-10 -64.28 -47.3 80.05 Favored 'General case' 0 CA--C 1.509 -0.624 0 N-CA-C 109.72 -0.474 . . . . 2.48 109.72 178.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.776 ' HB ' HG23 ' A' ' 46' ' ' VAL . 3.6 mp -79.42 -30.88 13.97 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.631 0 C-N-CA 119.53 -0.868 . . . . 0.44 109.572 179.396 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 59.0 t -65.58 -23.38 32.57 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.276 0 O-C-N 121.197 -0.94 . . . . 0.34 110.564 176.295 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -68.71 -39.98 80.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 122.012 -0.43 . . . . 0.95 109.995 176.062 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -80.99 -28.76 35.41 Favored 'General case' 0 C--N 1.318 -0.798 0 C-N-CA 120.545 -0.462 . . . . 2.11 111.062 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.613 HG13 ' HB ' ' A' ' 46' ' ' VAL . 46.5 mm -76.3 -53.8 14.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.889 0.376 . . . . 0.71 110.251 178.67 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -110.36 -56.8 2.29 Favored 'General case' 0 C--N 1.305 -1.333 0 CA-C-N 116.179 -0.464 . . . . 0.68 111.092 -175.148 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 113.81 80.33 0.95 Allowed Glycine 0 C--N 1.3 -1.444 0 C-N-CA 119.917 -1.135 . . . . 0.93 111.715 -177.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.427 ' O ' HD12 ' A' ' 21' ' ' ILE . 1.9 pp -139.34 150.22 63.35 Favored Pre-proline 0 C--N 1.3 -1.566 0 C-N-CA 123.442 0.697 . . . . 0.6 109.274 178.297 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -64.77 141.42 71.93 Favored 'Trans proline' 0 N--CA 1.45 -1.069 0 C-N-CA 121.731 1.621 . . . . 0.75 109.507 176.088 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 35.6 m -72.32 6.86 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.348 0 N-CA-C 113.558 0.947 . . . . 1.48 113.558 -177.246 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -112.97 -10.33 13.52 Favored 'General case' 0 N--CA 1.437 -1.115 0 CA-C-N 115.668 -0.696 . . . . 2.03 109.493 176.282 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -76.31 -34.01 59.05 Favored 'General case' 0 C--O 1.243 0.757 0 CA-C-O 121.851 0.834 . . . . 1.07 109.619 -177.518 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.476 HG22 HD21 ' A' ' 36' ' ' LEU . 24.5 t -79.42 92.3 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.447 0 CA-C-N 114.285 -1.325 . . . . 0.73 108.327 -179.652 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.541 ' H ' ' HG3' ' A' ' 30' ' ' LYS . 63.2 mttp -99.87 -177.93 3.7 Favored 'General case' 0 C--N 1.296 -1.721 0 N-CA-C 108.114 -1.069 . . . . 2.83 108.114 175.56 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.48 HD11 ' HG2' ' A' ' 4' ' ' GLN . 4.1 mm? -60.26 -42.03 94.47 Favored 'General case' 0 C--O 1.245 0.856 0 N-CA-C 115.35 1.611 . . . . 1.07 115.35 -171.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -99.6 64.18 1.28 Allowed 'General case' 0 C--N 1.299 -1.587 0 C-N-CA 118.175 -1.41 . . . . 2.47 110.71 -178.284 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.541 ' HG3' ' H ' ' A' ' 27' ' ' LYS . 27.4 mmmt -132.41 123.36 26.56 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 113.843 -1.526 . . . . 1.06 107.502 177.166 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.697 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 50.5 p -95.86 156.55 16.28 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 109.047 -0.723 . . . . 1.31 109.047 177.345 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.694 ' HA ' HD12 ' A' ' 36' ' ' LEU . 95.1 m-85 -75.2 28.47 0.09 Allowed 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 124.326 1.05 . . . . 1.03 113.076 -173.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.463 ' CG2' H43A ' A' ' 101' ' ' SXO . 6.0 t -165.94 -56.96 0.03 OUTLIER 'General case' 0 N--CA 1.44 -0.974 0 N-CA-C 112.028 0.381 . . . . 1.37 112.028 -178.418 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -75.19 -41.45 57.88 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-O 121.136 0.493 . . . . 2.31 111.218 -175.509 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.495 ' HB3' ' HD2' ' A' ' 30' ' ' LYS . 9.4 m-20 -90.9 -47.89 7.33 Favored 'General case' 0 C--N 1.308 -1.213 0 CA-C-N 116.171 -0.468 . . . . 1.67 110.245 179.139 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.694 HD12 ' HA ' ' A' ' 32' ' ' PHE . 37.5 mt -72.33 156.35 39.19 Favored 'General case' 0 N--CA 1.436 -1.15 0 CA-C-N 115.86 -0.609 . . . . 0.69 112.05 -177.324 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -91.62 66.68 5.36 Favored 'General case' 0 CA--C 1.487 -1.466 0 N-CA-C 106.786 -1.561 . . . . 2.15 106.786 178.542 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.469 HG23 ' HB3' ' A' ' 36' ' ' LEU . 48.8 t -136.91 131.81 46.96 Favored 'Isoleucine or valine' 0 C--N 1.276 -2.6 0 CA-C-N 113.069 -1.878 . . . . 2.23 106.733 -179.022 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -41.52 -71.63 0.08 Allowed 'General case' 0 N--CA 1.477 0.878 0 O-C-N 124.646 1.216 . . . . 2.96 108.592 170.063 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.875 ' HB2' ' H42' ' A' ' 101' ' ' SXO . 88.6 p 151.39 -48.76 0.01 OUTLIER 'General case' 0 CA--C 1.475 -1.915 0 C-N-CA 127.163 2.185 . . . . 1.19 109.389 167.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.406 HD12 ' OG ' ' A' ' 40' ' ' SER . 6.7 mp -63.14 -21.43 66.19 Favored 'General case' 0 C--O 1.212 -0.88 0 CA-C-O 121.569 0.7 . . . . 1.34 110.015 -176.552 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.7 m -68.76 -19.34 64.32 Favored 'General case' 0 CA--C 1.558 1.278 0 C-N-CA 124.238 1.015 . . . . 1.26 111.53 176.585 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.543 ' HA ' HG12 ' A' ' 46' ' ' VAL . 9.6 tmm? -66.14 -24.76 66.72 Favored 'General case' 0 C--O 1.216 -0.679 0 CA-C-O 121.109 0.48 . . . . 0.97 110.183 -178.452 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.423 ' HA ' HG12 ' A' ' 47' ' ' VAL . 47.0 t -56.75 -33.64 41.26 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.198 0 CA-C-O 121.078 0.466 . . . . 0.65 110.674 179.319 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -73.54 -28.41 61.86 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 116.3 -0.409 . . . . 2.06 112.055 177.093 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.776 HG23 ' HB ' ' A' ' 14' ' ' ILE . 11.4 p -83.14 -36.67 13.06 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.549 0 C-N-CA 119.97 -0.692 . . . . 1.43 111.264 178.757 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.423 HG12 ' HA ' ' A' ' 44' ' ' VAL . 13.5 p -63.21 -41.29 92.24 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.738 0 C-N-CA 120.651 -0.419 . . . . 0.53 111.788 -179.422 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 13.2 p -71.56 -21.97 21.71 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.904 0 CA-C-O 121.771 0.796 . . . . 0.65 110.66 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.437 ' O ' ' HG2' ' A' ' 53' ' ' ARG . . . -86.16 -29.52 23.18 Favored 'General case' 0 N--CA 1.442 -0.841 0 CA-C-O 121.433 0.635 . . . . 0.32 109.814 178.456 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.63 -25.03 63.74 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 116.163 -0.471 . . . . 0.36 111.217 -178.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.506 ' HA ' HG23 ' A' ' 56' ' ' VAL . 43.9 mt-10 -57.38 -46.92 82.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.511 -0.313 . . . . 0.78 110.736 179.415 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -74.13 -36.32 64.16 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.136 0.493 . . . . 0.96 110.173 178.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.565 ' HG3' HD11 ' A' ' 14' ' ' ILE . 30.0 mmm180 -71.18 -24.8 62.3 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.943 0.72 . . . . 3.85 112.943 -173.572 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -116.43 10.1 14.54 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 112.458 0.54 . . . . 0.4 112.458 -179.082 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 60.22 41.94 15.97 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 123.7 0.625 . . . . 1.95 110.361 179.278 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.506 HG23 ' HA ' ' A' ' 51' ' ' GLU . 31.3 m -127.07 -171.25 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.023 0 CA-C-N 116.002 -0.545 . . . . 1.37 111.003 -177.66 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.459 ' HA ' ' HD2' ' A' ' 57' ' ' LYS . 42.7 tptt -155.79 125.34 6.34 Favored 'General case' 0 N--CA 1.428 -1.567 0 N-CA-C 104.24 -2.504 . . . . 3.34 104.24 173.606 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.438 HD13 ' H8A' ' A' ' 101' ' ' SXO . 60.1 mt -121.17 116.01 31.29 Favored Pre-proline 0 C--N 1.308 -1.203 0 C-N-CA 120.889 -0.324 . . . . 0.57 110.99 -171.394 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.426 ' O ' HG23 ' A' ' 63' ' ' VAL . 26.3 Cg_exo -63.96 135.31 47.19 Favored 'Trans proline' 0 C--O 1.24 0.592 0 C-N-CA 123.245 2.63 . . . . 0.63 111.226 179.202 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -58.57 -33.15 69.61 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 112.884 0.698 . . . . 2.3 112.884 -175.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -65.95 -30.56 71.15 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 116.349 -0.387 . . . . 2.38 110.061 179.648 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.425 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 5.6 t70 -85.05 -30.72 23.88 Favored 'General case' 0 N--CA 1.438 -1.029 0 N-CA-C 109.337 -0.616 . . . . 1.52 109.337 -175.318 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 59' ' ' PRO . 88.3 t -52.93 -60.79 1.01 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.363 0 CA-C-N 114.885 -1.052 . . . . 0.79 109.302 175.263 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -66.71 -7.79 23.39 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 112.809 0.67 . . . . 1.24 112.809 -178.558 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -87.9 -25.7 23.11 Favored 'General case' 0 C--N 1.305 -1.327 0 CA-C-O 120.907 0.384 . . . . 2.07 111.154 -179.497 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.614 HD13 ' HA ' ' A' ' 72' ' ' ALA . 79.7 mt -82.96 176.39 9.31 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 116.158 -0.474 . . . . 0.6 110.699 -176.376 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -135.4 -71.21 0.48 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.196 0.522 . . . . 2.69 111.992 -176.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.697 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 67.4 p -96.62 179.1 5.11 Favored 'General case' 0 N--CA 1.429 -1.48 0 CA-C-N 116.355 -0.384 . . . . 0.46 110.702 -177.29 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.506 HG12 ' CZ ' ' A' ' 32' ' ' PHE . 32.1 m -74.75 -17.81 16.45 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.108 0 N-CA-C 109.571 -0.529 . . . . 0.66 109.571 175.41 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -69.85 -32.69 70.23 Favored Glycine 0 N--CA 1.436 -1.306 0 N-CA-C 110.064 -1.214 . . . . 0.46 110.064 174.652 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -77.89 -37.55 47.76 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.98 -0.748 . . . . 1.62 108.98 177.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.614 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -65.92 -45.97 79.98 Favored 'General case' 0 CA--C 1.507 -0.701 0 CA-C-N 114.855 -1.066 . . . . 0.51 111.336 -176.603 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.659 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 17.3 p -59.0 -39.6 82.34 Favored 'General case' 0 N--CA 1.432 -1.339 0 CA-C-N 115.548 -0.751 . . . . 0.46 112.411 -178.194 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 60.5 tttm -60.65 -33.97 73.59 Favored 'General case' 0 CA--C 1.533 0.298 0 O-C-N 123.622 0.576 . . . . 3.54 110.577 -178.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -77.23 -48.5 17.37 Favored 'General case' 0 C--O 1.241 0.62 0 CA-C-O 121.355 0.598 . . . . 0.83 109.893 176.347 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.408 HG13 ' O ' ' A' ' 72' ' ' ALA . 83.1 mt -57.97 -56.84 13.39 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.95 0 CA-C-N 115.703 -0.68 . . . . 0.65 111.891 -175.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.659 ' HG ' ' O ' ' A' ' 73' ' ' THR . 2.9 pp -62.68 -21.28 65.62 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.666 0.617 . . . . 1.74 112.666 -178.714 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -72.9 -44.04 61.72 Favored 'General case' 0 C--N 1.307 -1.26 0 CA-C-N 115.608 -0.724 . . . . 1.32 110.371 178.336 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 51.1 m170 -102.71 4.82 38.5 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 114.756 1.391 . . . . 2.89 114.756 -178.539 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.527 ' NE2' HD11 ' A' ' 7' ' ' ILE . 3.9 pt20 -65.83 136.09 55.71 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 112.265 0.469 . . . . 2.23 112.265 -176.659 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.898 0 C-N-CA 125.565 1.546 . . . . 3.38 112.737 175.913 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' SXO . . . . . 0.875 ' H42' ' HB2' ' A' ' 40' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.516 -0.335 0 N-CA-C 108.597 -0.89 . . . . 2.17 108.597 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.535 ' HB1' ' HB2' ' A' ' 6' ' ' GLU . . . -140.88 171.58 13.88 Favored 'General case' 0 N--CA 1.435 -1.199 0 N-CA-C 109.345 -0.613 . . . . 1.12 109.345 -176.381 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.625 HG22 ' H ' ' A' ' 4' ' ' GLN . 4.7 m -97.37 175.83 6.11 Favored 'General case' 0 C--N 1.307 -1.273 0 CA-C-O 119.009 -0.52 . . . . 1.57 110.014 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.625 ' H ' HG22 ' A' ' 3' ' ' THR . 61.1 tt0 -39.76 -57.64 1.5 Allowed 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 116.003 1.853 . . . . 1.76 116.003 -172.039 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -74.09 -34.25 63.91 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 119.002 -1.079 . . . . 3.05 111.699 -175.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.535 ' HB2' ' HB1' ' A' ' 2' ' ' ALA . 56.4 mm-40 -65.9 -33.75 76.54 Favored 'General case' 0 N--CA 1.457 -0.12 0 N-CA-C 109.112 -0.699 . . . . 2.53 109.112 176.25 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.564 HG12 ' O ' ' A' ' 3' ' ' THR . 32.1 mm -62.46 -54.64 31.36 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.665 0 CA-C-N 115.435 -0.802 . . . . 0.45 109.546 175.509 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 4' ' ' GLN . 42.6 t -55.33 -48.56 76.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 N-CA-C 110.087 -0.338 . . . . 0.57 110.087 179.669 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.425 ' O ' ' HG3' ' A' ' 13' ' ' GLU . . . -60.48 -36.25 77.86 Favored 'General case' 0 C--O 1.22 -0.484 0 CA-C-N 115.912 -0.585 . . . . 0.48 110.828 178.733 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.483 ' HA2' ' OE2' ' A' ' 13' ' ' GLU . . . -66.88 -38.56 93.0 Favored Glycine 0 CA--C 1.505 -0.571 0 N-CA-C 111.216 -0.754 . . . . 0.37 111.216 179.11 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.459 HD12 ' HA ' ' A' ' 8' ' ' VAL . 89.8 mt -60.33 -46.96 88.05 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 108.599 -0.889 . . . . 0.33 108.599 176.052 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.428 ' HB2' ' HB ' ' A' ' 26' ' ' VAL . . . -65.83 -24.96 67.01 Favored 'General case' 0 N--CA 1.439 -1.023 0 CA-C-N 114.966 -1.016 . . . . 0.28 112.156 -179.532 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.483 ' OE2' ' HA2' ' A' ' 10' ' ' GLY . 49.4 mt-10 -57.86 -47.23 83.31 Favored 'General case' 0 CA--C 1.508 -0.641 0 CA-C-O 121.12 0.486 . . . . 2.48 109.764 177.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.888 ' HB ' HG23 ' A' ' 46' ' ' VAL . 3.6 mp -84.72 -36.36 11.37 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.575 0 C-N-CA 119.47 -0.892 . . . . 0.44 110.184 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.524 HG22 HG11 ' A' ' 46' ' ' VAL . 61.0 t -61.43 -23.26 29.99 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.408 0 CA-C-O 122.127 0.965 . . . . 0.34 110.786 178.431 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -66.29 -41.12 90.24 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.716 -0.674 . . . . 0.95 111.652 175.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -82.85 -31.6 27.94 Favored 'General case' 0 C--N 1.309 -1.154 0 C-N-CA 119.947 -0.701 . . . . 2.11 110.836 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.52 HG12 ' O ' ' A' ' 14' ' ' ILE . 50.0 mm -71.34 -53.67 20.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.034 -0.53 . . . . 0.71 110.029 179.134 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -102.91 -60.87 1.48 Allowed 'General case' 0 C--N 1.306 -1.285 0 CA-C-N 115.817 -0.628 . . . . 0.68 110.925 -176.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 132.59 8.4 2.51 Favored Glycine 0 C--N 1.312 -0.771 0 C-N-CA 119.334 -1.412 . . . . 0.93 113.875 -178.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.415 ' HA ' ' HD3' ' A' ' 22' ' ' PRO . 2.3 pp -74.28 148.82 86.49 Favored Pre-proline 0 C--N 1.318 -0.776 0 N-CA-C 112.555 0.576 . . . . 0.6 112.555 179.572 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 21' ' ' ILE . 33.7 Cg_exo -63.28 139.62 72.76 Favored 'Trans proline' 0 C--O 1.247 0.936 0 C-N-CA 122.479 2.12 . . . . 0.75 111.013 176.195 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 26.9 m -72.78 18.09 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 N-CA-C 113.35 0.87 . . . . 1.48 113.35 -178.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -137.24 2.59 2.54 Favored 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 108.803 -0.814 . . . . 2.03 108.803 178.311 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.434 ' O ' ' HE2' ' A' ' 30' ' ' LYS . 33.6 t70 -89.79 -35.99 15.39 Favored 'General case' 0 CA--C 1.502 -0.89 0 CA-C-O 122.115 0.959 . . . . 1.07 108.828 -178.131 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.492 ' HA ' ' HG3' ' A' ' 30' ' ' LYS . 60.3 t -78.99 98.7 2.88 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.489 0 CA-C-N 114.345 -1.298 . . . . 0.73 108.232 177.257 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -111.98 -167.08 1.14 Allowed 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 107.714 -1.217 . . . . 2.83 107.714 174.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.408 HD13 ' HA ' ' A' ' 28' ' ' LEU 0.275 4.2 mm? -59.67 -33.12 71.14 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 117.012 2.227 . . . . 1.07 117.012 -172.514 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -91.8 69.71 5.59 Favored 'General case' 0 C--N 1.302 -1.458 0 CA-C-O 121.991 0.9 . . . . 2.47 111.291 178.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.54 ' HD2' HD21 ' A' ' 36' ' ' LEU . 34.7 mmtm -140.84 136.95 32.9 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-N 114.288 -1.324 . . . . 1.06 110.99 179.538 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.584 ' H ' ' HB3' ' A' ' 35' ' ' ASP . 52.0 p -118.26 157.19 27.49 Favored 'General case' 0 C--N 1.306 -1.307 0 N-CA-C 107.434 -1.321 . . . . 1.31 107.434 171.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.575 ' CZ ' HG12 ' A' ' 69' ' ' VAL . 83.8 m-85 -85.5 30.94 0.6 Allowed 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 113.545 0.943 . . . . 1.03 113.545 -169.495 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.565 ' HA ' ' O ' ' A' ' 38' ' ' VAL . 4.4 t -175.65 -54.68 0.01 OUTLIER 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 116.506 -0.315 . . . . 1.37 111.289 177.52 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -69.54 -47.18 64.59 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 112.148 0.425 . . . . 2.31 112.148 -175.119 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.584 ' HB3' ' H ' ' A' ' 31' ' ' SER . 17.8 t70 -83.34 -40.77 19.02 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.21 0.529 . . . . 1.67 110.314 179.47 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.54 HD21 ' HD2' ' A' ' 30' ' ' LYS . 67.8 mt -82.69 -171.63 3.61 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-N 115.936 -0.575 . . . . 0.69 111.775 -178.641 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -117.45 1.91 12.38 Favored 'General case' 0 C--N 1.31 -1.152 0 CA-C-O 121.957 0.884 . . . . 2.15 109.154 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.565 ' O ' ' HA ' ' A' ' 33' ' ' THR . 7.6 p -89.28 126.25 42.26 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.574 0 N-CA-C 106.794 -1.558 . . . . 2.23 106.794 175.756 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -74.34 164.09 27.01 Favored 'General case' 0 C--N 1.301 -1.507 0 C-N-CA 120.519 -0.473 . . . . 2.96 111.761 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.534 ' CB ' ' H42' ' A' ' 101' ' ' SXO . 33.8 p -66.88 -43.67 82.9 Favored 'General case' 0 C--N 1.298 -1.647 0 CA-C-N 115.685 -0.689 . . . . 1.19 110.226 -179.706 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.8 mp -61.83 -23.85 66.52 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-O 121.816 0.817 . . . . 1.34 109.638 177.598 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 46.8 t -84.12 -37.95 21.33 Favored 'General case' 0 N--CA 1.429 -1.512 0 CA-C-N 115.056 -0.975 . . . . 1.26 109.733 178.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.569 ' SD ' ' H6A' ' A' ' 101' ' ' SXO . 35.5 ttp -59.74 -23.24 63.04 Favored 'General case' 0 C--N 1.359 1.011 0 CA-C-O 121.28 0.562 . . . . 0.97 110.457 177.691 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.49 ' HA ' HG12 ' A' ' 47' ' ' VAL . 57.7 t -56.47 -24.06 18.02 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.349 0 C-N-CA 123.101 0.56 . . . . 0.65 111.473 178.477 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 -78.94 -38.07 38.14 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.999 0.428 . . . . 2.06 111.039 177.173 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.888 HG23 ' HB ' ' A' ' 14' ' ' ILE . 3.6 p -84.47 -32.99 8.27 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.792 0 N-CA-C 113.006 0.743 . . . . 1.43 113.006 -178.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.536 HG23 ' H7A' ' A' ' 101' ' ' SXO . 13.9 p -61.41 -40.25 85.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 O-C-N 122.212 -0.305 . . . . 0.53 111.714 -177.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 14.9 p -70.12 -31.77 48.66 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.765 0 CA-C-O 121.473 0.654 . . . . 0.65 110.121 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.69 -17.95 46.15 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.548 -0.751 . . . . 0.32 110.277 -179.342 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.63 -29.97 63.92 Favored 'General case' 0 C--N 1.31 -1.139 0 CA-C-N 116.197 -0.456 . . . . 0.36 110.046 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.511 ' HA ' HG23 ' A' ' 56' ' ' VAL . 42.2 mt-10 -58.57 -49.89 75.79 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 115.93 -0.577 . . . . 0.78 111.023 179.671 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -68.96 -42.96 75.93 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.137 -0.483 . . . . 0.96 111.25 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.74 ' HG3' HD11 ' A' ' 14' ' ' ILE . 27.3 mmt180 -62.58 -39.9 95.17 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 112.852 0.686 . . . . 3.85 112.852 -177.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -101.95 -4.69 25.71 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 113.752 1.019 . . . . 0.4 113.752 -175.077 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 70.64 46.15 0.55 Allowed 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 123.322 0.649 . . . . 1.95 109.779 -178.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.511 HG23 ' HA ' ' A' ' 51' ' ' GLU . 17.3 m -126.06 -174.26 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.507 0.67 . . . . 1.37 112.338 -178.344 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -139.51 123.13 17.38 Favored 'General case' 0 N--CA 1.43 -1.426 0 N-CA-C 105.984 -1.858 . . . . 3.34 105.984 174.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 38.4 mt -129.67 100.36 19.64 Favored Pre-proline 0 C--N 1.304 -1.401 0 N-CA-C 108.82 -0.808 . . . . 0.57 108.82 -177.598 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.548 ' O ' HG23 ' A' ' 63' ' ' VAL . 16.9 Cg_exo -70.84 149.51 60.09 Favored 'Trans proline' 0 C--O 1.235 0.363 0 C-N-CA 123.316 2.677 . . . . 0.63 111.989 178.624 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -53.18 -41.53 65.32 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 124.719 1.207 . . . . 2.3 112.075 -176.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -73.58 -34.26 65.02 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 120.707 0.289 . . . . 2.38 110.958 -178.642 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -71.88 -32.97 67.98 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.848 -0.615 . . . . 1.52 109.461 -175.084 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 59' ' ' PRO . 86.8 t -51.75 -47.15 39.6 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 CA-C-N 115.427 -0.806 . . . . 0.79 110.115 176.039 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -67.78 -5.04 14.35 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 115.443 -0.798 . . . . 1.24 112.422 -176.518 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -94.59 -10.14 32.94 Favored 'General case' 0 C--N 1.317 -0.834 0 O-C-N 121.975 -0.453 . . . . 2.07 110.546 -177.147 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.552 HD13 ' HA ' ' A' ' 72' ' ' ALA . 83.8 mt -101.97 -177.55 3.45 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 108.743 -0.836 . . . . 0.6 108.743 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.4 ' HG2' ' OD1' ' A' ' 71' ' ' ASP . 7.9 ptpp? -146.58 -52.75 0.23 Allowed 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 119.558 -0.857 . . . . 2.69 112.943 -178.067 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 71.6 p -112.74 -176.41 2.9 Favored 'General case' 0 C--O 1.247 0.946 0 O-C-N 121.662 -0.649 . . . . 0.46 109.871 179.285 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.575 HG12 ' CZ ' ' A' ' 32' ' ' PHE . 33.5 m -76.01 -14.03 15.01 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.09 0 N-CA-C 109.392 -0.595 . . . . 0.66 109.392 174.595 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.417 ' O ' ' HG2' ' A' ' 74' ' ' LYS . . . -72.08 -33.13 62.52 Favored Glycine 0 N--CA 1.437 -1.266 0 N-CA-C 110.23 -1.148 . . . . 0.46 110.23 176.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.4 ' OD1' ' HG2' ' A' ' 67' ' ' LYS . 5.0 m-20 -80.21 -40.18 27.65 Favored 'General case' 0 CA--C 1.503 -0.838 0 N-CA-C 108.623 -0.88 . . . . 1.62 108.623 178.236 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.552 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -61.36 -46.84 88.52 Favored 'General case' 0 CA--C 1.501 -0.932 0 CA-C-N 114.557 -1.202 . . . . 0.51 110.615 -176.017 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.582 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 6.5 p -55.04 -45.95 75.27 Favored 'General case' 0 N--CA 1.44 -0.959 0 O-C-N 123.903 0.752 . . . . 0.46 112.061 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.417 ' HG2' ' O ' ' A' ' 70' ' ' GLY . 42.0 mmtm -59.26 -47.96 83.4 Favored 'General case' 0 C--O 1.219 -0.534 0 O-C-N 123.905 0.753 . . . . 3.54 110.417 -179.791 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -65.76 -42.46 90.86 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 123.629 0.581 . . . . 0.83 111.877 -178.093 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.568 ' O ' ' HG3' ' A' ' 80' ' ' GLN . 89.2 mt -62.18 -65.01 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.309 -1.18 0 CA-C-O 119.021 -0.514 . . . . 0.65 111.172 -177.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.582 ' HG ' ' O ' ' A' ' 73' ' ' THR 0.271 1.8 pp -57.27 -21.11 32.2 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 113.194 0.813 . . . . 1.74 113.194 177.677 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -70.73 -42.89 69.95 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 115.86 -0.609 . . . . 1.32 110.622 174.395 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -98.27 4.32 48.77 Favored 'General case' 0 C--N 1.312 -1.026 0 N-CA-C 113.935 1.087 . . . . 2.89 113.935 -174.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.568 ' HG3' ' O ' ' A' ' 76' ' ' ILE . 25.5 mt-30 -64.89 154.69 36.57 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 111.841 0.311 . . . . 2.23 111.841 179.135 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.849 0 C-N-CA 125.618 1.567 . . . . 3.38 113.146 -178.603 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' SXO . . . . . 0.569 ' H6A' ' SD ' ' A' ' 43' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.239 0.538 0 N-CA-C 108.529 -0.915 . . . . 2.17 108.529 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -78.9 131.39 36.38 Favored 'General case' 0 C--N 1.308 -1.223 0 N-CA-C 108.425 -0.954 . . . . 1.12 108.425 176.351 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.547 ' O ' HG12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -93.83 -167.26 1.65 Allowed 'General case' 0 C--N 1.299 -1.617 0 C-N-CA 118.852 -1.139 . . . . 1.57 110.952 -177.682 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.436 ' H ' HG22 ' A' ' 3' ' ' THR . 9.8 tt0 -53.66 -49.87 67.03 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 113.709 1.003 . . . . 1.76 113.709 -169.04 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -61.37 -39.88 92.26 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 123.162 0.289 . . . . 3.05 111.231 -179.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -73.06 -32.27 64.93 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.831 -0.622 . . . . 2.53 110.083 -177.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.547 HG12 ' O ' ' A' ' 3' ' ' THR . 38.1 mm -61.77 -59.1 4.84 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.838 0 N-CA-C 108.293 -1.002 . . . . 0.45 108.293 175.413 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 91.5 t -53.79 -52.89 30.69 Favored 'Isoleucine or valine' 0 C--O 1.242 0.688 0 C-N-CA 123.604 0.762 . . . . 0.57 110.84 179.32 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.49 -39.84 77.31 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 116.097 -0.501 . . . . 0.48 111.143 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.85 -41.54 88.13 Favored Glycine 0 N--CA 1.437 -1.255 0 N-CA-C 110.944 -0.863 . . . . 0.37 110.944 -179.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.516 ' O ' HG23 ' A' ' 15' ' ' VAL . 96.5 mt -56.8 -48.69 77.36 Favored 'General case' 0 CA--C 1.503 -0.858 0 C-N-CA 123.088 0.555 . . . . 0.33 109.584 177.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.33 -27.81 62.55 Favored 'General case' 0 C--O 1.207 -1.141 0 CA-C-N 115.125 -0.943 . . . . 0.28 112.708 -178.088 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -68.0 -38.76 83.01 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 120.99 -0.284 . . . . 2.48 111.542 178.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.543 ' HB ' HG23 ' A' ' 46' ' ' VAL . 3.9 mp -82.55 -27.32 8.61 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.99 0 C-N-CA 119.561 -0.856 . . . . 0.44 109.004 176.309 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 11' ' ' LEU . 47.8 t -69.16 -26.84 32.92 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.014 0 CA-C-O 121.648 0.737 . . . . 0.34 109.334 175.726 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -72.91 -31.67 64.81 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 123.409 0.684 . . . . 0.95 109.696 173.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.4 ' HB3' ' O ' ' A' ' 14' ' ' ILE . 9.7 tp10 -68.49 -38.63 81.16 Favored 'General case' 0 C--N 1.308 -1.205 0 N-CA-C 108.719 -0.845 . . . . 2.11 108.719 178.102 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.437 HG12 ' O ' ' A' ' 14' ' ' ILE . 49.1 mm -83.66 -52.4 12.98 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.923 0 CA-C-N 114.897 -1.047 . . . . 0.71 112.407 -177.362 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.539 ' HB1' ' HB3' ' A' ' 37' ' ' ASP . . . -116.5 -1.98 12.11 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 114.138 1.162 . . . . 0.68 114.138 -172.718 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.02 27.68 73.61 Favored Glycine 0 C--N 1.31 -0.893 0 N-CA-C 115.048 0.779 . . . . 0.93 115.048 177.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.495 HD11 ' HB ' ' A' ' 15' ' ' VAL . 2.3 pp -80.16 151.53 72.87 Favored Pre-proline 0 C--N 1.32 -0.708 0 CA-C-N 117.758 0.779 . . . . 0.6 111.758 178.622 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.429 ' HG2' ' HB2' ' A' ' 25' ' ' ASP . 36.9 Cg_endo -71.11 144.71 47.6 Favored 'Trans proline' 0 N--CA 1.443 -1.483 0 C-N-CA 121.738 1.626 . . . . 0.75 110.232 173.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.1 m -79.98 8.06 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.313 -0.982 0 CA-C-O 121.587 0.708 . . . . 1.48 112.651 -175.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -100.76 -17.22 17.03 Favored 'General case' 0 C--N 1.308 -1.231 0 N-CA-C 108.43 -0.952 . . . . 2.03 108.43 178.153 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.672 ' O ' ' HE3' ' A' ' 30' ' ' LYS . 19.9 t70 -77.06 -44.16 31.71 Favored 'General case' 0 CA--C 1.505 -0.775 0 CA-C-N 115.586 -0.734 . . . . 1.07 109.666 -176.565 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.594 ' HA ' ' HG3' ' A' ' 30' ' ' LYS . 40.6 t -70.48 94.9 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.151 0 CA-C-N 114.82 -1.082 . . . . 0.73 111.336 -177.29 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -107.03 -164.12 0.96 Allowed 'General case' 0 C--N 1.3 -1.577 0 CA-C-N 113.875 -1.511 . . . . 2.83 107.175 171.634 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 77.8 mt -74.92 -31.15 61.46 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 112.525 0.565 . . . . 1.07 112.525 -174.472 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -88.47 61.25 6.04 Favored 'General case' 0 C--N 1.306 -1.309 0 CA-C-O 121.984 0.897 . . . . 2.47 110.395 178.371 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.672 ' HE3' ' O ' ' A' ' 25' ' ' ASP . 65.5 mmtt -137.6 156.55 47.94 Favored 'General case' 0 C--N 1.298 -1.652 0 CA-C-N 114.544 -1.207 . . . . 1.06 107.957 178.63 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.472 ' HB3' HG22 ' A' ' 68' ' ' THR . 13.5 p -141.22 165.82 26.47 Favored 'General case' 0 C--N 1.286 -2.179 0 N-CA-C 107.809 -1.182 . . . . 1.31 107.809 -177.381 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.961 ' HB3' ' HG3' ' A' ' 43' ' ' MET . 97.0 m-85 -88.96 23.19 2.45 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 113.437 0.902 . . . . 1.03 113.437 -169.072 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.6 t -165.75 -53.98 0.03 OUTLIER 'General case' 0 C--N 1.309 -1.193 0 CA-C-N 115.773 -0.649 . . . . 1.37 110.911 173.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -63.41 -49.71 72.7 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 112.533 0.568 . . . . 2.31 112.533 -178.252 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.57 ' HB3' ' HD3' ' A' ' 30' ' ' LYS . 12.3 m-20 -97.83 2.39 49.3 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 113.688 0.995 . . . . 1.67 113.688 -179.084 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.42 HD13 HG11 ' A' ' 15' ' ' VAL . 68.3 mt -124.94 168.81 12.78 Favored 'General case' 0 C--N 1.309 -1.177 0 N-CA-C 112.935 0.717 . . . . 0.69 112.935 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.539 ' HB3' ' HB1' ' A' ' 19' ' ' ALA . 12.9 t70 -82.81 -13.48 56.15 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-N 114.659 -1.155 . . . . 2.15 109.131 -176.434 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.2 m -75.89 126.79 36.99 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.204 0 CA-C-N 115.105 -0.952 . . . . 2.23 110.977 -178.516 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -73.54 156.24 38.34 Favored 'General case' 0 C--N 1.283 -2.323 0 N-CA-C 106.237 -1.764 . . . . 2.96 106.237 171.544 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.423 ' HB2' ' H42' ' A' ' 101' ' ' SXO . 78.0 p -64.42 -48.81 73.98 Favored 'General case' 0 C--N 1.295 -1.766 0 C-N-CA 120.948 -0.301 . . . . 1.19 110.964 -174.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.3 mp -62.3 -23.23 66.62 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-O 121.152 0.501 . . . . 1.34 111.124 179.111 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.3 m -81.48 -33.79 31.73 Favored 'General case' 0 N--CA 1.439 -1.017 0 C-N-CA 123.356 0.662 . . . . 1.26 110.279 178.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.961 ' HG3' ' HB3' ' A' ' 32' ' ' PHE . 13.6 tmm? -61.28 -26.34 67.71 Favored 'General case' 0 C--O 1.223 -0.339 0 C-N-CA 123.604 0.762 . . . . 0.97 110.412 -179.718 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.459 ' HA ' HG12 ' A' ' 47' ' ' VAL . 23.9 t -56.63 -23.58 17.53 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.41 0 CA-C-N 116.241 -0.436 . . . . 0.65 111.269 178.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -82.57 -28.17 31.1 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 122.096 -0.377 . . . . 2.06 111.644 177.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.543 HG23 ' HB ' ' A' ' 14' ' ' ILE . 7.1 p -83.85 -36.34 12.14 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 C-N-CA 120.257 -0.577 . . . . 1.43 110.978 178.775 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.459 HG12 ' HA ' ' A' ' 44' ' ' VAL . 11.8 p -62.03 -42.32 94.45 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.791 0 C-N-CA 120.89 -0.324 . . . . 0.53 111.657 -179.59 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 13.0 p -69.51 -28.92 39.77 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.817 0 CA-C-O 121.298 0.57 . . . . 0.65 110.707 -179.397 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.405 ' HB3' HG21 ' A' ' 14' ' ' ILE . . . -80.57 -29.77 37.01 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.298 0.57 . . . . 0.32 110.462 -179.337 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.91 -30.43 71.42 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 116.063 -0.517 . . . . 0.36 111.563 -179.346 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -55.47 -55.94 25.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.674 0.273 . . . . 0.78 111.311 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.513 ' HG3' ' N ' ' A' ' 53' ' ' ARG . 5.0 pt-20 -67.06 -37.24 83.68 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.952 0.406 . . . . 0.96 111.23 -178.309 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.547 ' HA ' ' CZ ' ' A' ' 53' ' ' ARG . 3.0 mmp_? -72.82 -32.78 65.77 Favored 'General case' 0 N--CA 1.443 -0.791 0 N-CA-C 112.642 0.608 . . . . 3.85 112.642 -172.638 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -102.74 4.82 38.43 Favored 'General case' 0 C--N 1.308 -1.219 0 N-CA-C 112.113 0.412 . . . . 0.4 112.113 -179.7 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 38.7 t70 63.2 33.31 14.41 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-O 122.954 1.359 . . . . 1.95 109.879 176.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.59 HG11 HG23 ' A' ' 76' ' ' ILE . 7.6 p -126.96 177.68 5.33 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.116 0 CA-C-N 114.559 -1.201 . . . . 1.37 109.801 -172.746 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.465 ' H ' HG22 ' A' ' 56' ' ' VAL . 50.8 mtpt -121.77 141.5 51.14 Favored 'General case' 0 C--N 1.305 -1.365 0 N-CA-C 108.254 -1.017 . . . . 3.34 108.254 174.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.51 HD13 ' H8A' ' A' ' 101' ' ' SXO . 45.9 mt -133.09 88.39 36.64 Favored Pre-proline 0 C--N 1.288 -2.08 0 N-CA-C 108.414 -0.958 . . . . 0.57 108.414 176.394 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.528 ' O ' HG23 ' A' ' 63' ' ' VAL . 29.3 Cg_exo -65.25 151.34 85.69 Favored 'Trans proline' 0 C--O 1.238 0.509 0 C-N-CA 123.419 2.746 . . . . 0.63 111.471 179.756 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -50.88 -42.99 59.49 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.381 1.072 . . . . 2.3 111.92 -177.05 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -66.02 -41.68 90.67 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.086 -0.506 . . . . 2.38 110.596 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.526 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 11.4 m-20 -69.46 -29.72 67.47 Favored 'General case' 0 CA--C 1.499 -1.018 0 CA-C-N 116.016 -0.538 . . . . 1.52 112.258 -179.745 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.651 ' O ' ' H2 ' ' A' ' 101' ' ' SXO . 80.6 t -58.65 -60.61 2.09 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.909 0 N-CA-C 108.339 -0.985 . . . . 0.79 108.339 174.785 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -62.18 -13.75 30.6 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.4 1.08 . . . . 1.24 112.46 -176.173 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 12.3 t30 -85.66 -14.17 46.36 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-O 121.627 0.727 . . . . 2.07 110.972 179.016 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.526 ' HG ' ' O ' ' A' ' 62' ' ' ASP . 67.4 mt -96.24 -174.61 3.12 Favored 'General case' 0 C--N 1.317 -0.848 0 N-CA-C 108.979 -0.749 . . . . 0.6 108.979 -178.755 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.415 ' HG2' ' OD2' ' A' ' 71' ' ' ASP . 4.2 ptpp? -163.61 -54.02 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.622 0.248 . . . . 2.69 111.175 179.18 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.472 HG22 ' HB3' ' A' ' 31' ' ' SER . 52.5 p -104.4 -178.61 3.71 Favored 'General case' 0 N--CA 1.427 -1.583 0 N-CA-C 108.484 -0.932 . . . . 0.46 108.484 176.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.5 HG12 ' CZ ' ' A' ' 32' ' ' PHE . 25.4 m -79.49 -13.69 13.32 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.145 0 C-N-CA 120.227 -0.589 . . . . 0.66 109.416 176.003 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -74.73 -19.2 80.0 Favored Glycine 0 C--O 1.215 -1.038 0 N-CA-C 110.405 -1.078 . . . . 0.46 110.405 176.438 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.415 ' OD2' ' HG2' ' A' ' 67' ' ' LYS . 3.0 m-20 -83.44 -47.02 11.83 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 108.569 -0.9 . . . . 1.62 108.569 175.107 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.516 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -62.87 -49.52 74.52 Favored 'General case' 0 CA--C 1.506 -0.714 0 CA-C-N 113.957 -1.474 . . . . 0.51 112.045 -173.433 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.685 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 2.1 p -48.56 -56.0 9.57 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.238 0.961 . . . . 0.46 112.631 -177.001 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 62.9 mmtt -54.58 -39.76 68.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.393 1.058 . . . . 3.54 111.262 -174.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 82.9 t80 -75.07 -47.13 30.32 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.255 -0.43 . . . . 0.83 110.404 -179.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.59 HG23 HG11 ' A' ' 56' ' ' VAL . 91.2 mt -58.95 -63.39 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.621 -0.718 . . . . 0.65 110.841 -178.708 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.685 ' HG ' ' O ' ' A' ' 73' ' ' THR . 2.7 pp -58.77 -22.44 58.06 Favored 'General case' 0 C--O 1.236 0.379 0 N-CA-C 113.646 0.98 . . . . 1.74 113.646 -173.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -83.12 -25.52 31.86 Favored 'General case' 0 C--N 1.306 -1.311 0 CA-C-N 116.041 -0.527 . . . . 1.32 111.396 -177.253 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.408 ' HB2' HG23 ' A' ' 56' ' ' VAL . 16.1 m-70 -100.38 -0.55 38.0 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 113.229 0.825 . . . . 2.89 113.229 -177.604 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.453 ' NE2' ' HA ' ' A' ' 77' ' ' LEU . 34.5 mt-30 -75.85 164.78 25.88 Favored 'General case' 0 C--O 1.248 0.98 0 N-CA-C 109.843 -0.429 . . . . 2.23 109.843 -178.672 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.241 0.639 0 O-C-N 124.382 1.051 . . . . 3.38 111.639 175.908 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' SXO . . . . . 0.651 ' H2 ' ' O ' ' A' ' 63' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.461 0.112 0 N-CA-C 110.136 -0.32 . . . . 2.17 110.136 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 179.62 142.34 0.14 Allowed 'General case' 0 CA--C 1.502 -0.902 0 N-CA-C 107.849 -1.167 . . . . 1.12 107.849 178.398 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.459 ' O ' HG12 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -102.15 -170.5 1.82 Allowed 'General case' 0 C--N 1.3 -1.547 0 C-N-CA 119.974 -0.691 . . . . 1.57 109.527 178.706 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.559 ' HG3' HD22 ' A' ' 77' ' ' LEU . 55.5 mt-30 -62.02 -38.13 87.5 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 113.01 0.744 . . . . 1.76 113.01 -172.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -62.74 -50.75 69.85 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.772 0.32 . . . . 3.05 110.396 177.39 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -66.65 -36.16 81.89 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 115.828 -0.623 . . . . 2.53 110.601 -179.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.459 HG12 ' O ' ' A' ' 3' ' ' THR . 25.9 mm -64.42 -51.83 63.08 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.882 0 N-CA-C 109.046 -0.724 . . . . 0.45 109.046 179.316 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.537 ' HA ' HD12 ' A' ' 11' ' ' LEU . 89.9 t -63.41 -35.5 72.61 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.771 0 CA-C-N 116.238 -0.437 . . . . 0.57 111.22 179.345 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.43 -42.44 96.06 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-O 121.081 0.467 . . . . 0.48 110.034 176.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.27 -40.81 92.13 Favored Glycine 0 N--CA 1.435 -1.421 0 N-CA-C 110.728 -0.949 . . . . 0.37 110.728 179.183 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.537 HD12 ' HA ' ' A' ' 8' ' ' VAL . 92.5 mt -56.09 -52.68 63.44 Favored 'General case' 0 CA--C 1.51 -0.59 0 C-N-CA 122.931 0.493 . . . . 0.33 110.644 177.446 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.44 ' HB2' ' HB ' ' A' ' 26' ' ' VAL . . . -59.8 -29.99 68.61 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.509 -0.769 . . . . 0.28 112.711 -177.402 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -63.11 -44.9 94.37 Favored 'General case' 0 N--CA 1.421 -1.882 0 CA-C-O 120.825 0.345 . . . . 2.48 110.499 178.481 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.644 HG21 ' HB3' ' A' ' 49' ' ' ALA . 3.1 mp -79.14 -29.27 13.8 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.492 0 C-N-CA 118.796 -1.162 . . . . 0.44 109.925 178.465 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 11' ' ' LEU . 40.7 t -65.61 -27.78 42.46 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 CA-C-O 121.688 0.756 . . . . 0.34 109.728 177.038 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -70.62 -40.39 73.17 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 115.896 -0.593 . . . . 0.95 110.23 174.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -69.66 -44.55 70.31 Favored 'General case' 0 C--N 1.303 -1.428 0 CA-C-N 115.769 -0.65 . . . . 2.11 109.852 -179.639 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.543 HG13 ' HB ' ' A' ' 46' ' ' VAL . 41.6 mm -73.49 -53.67 17.44 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-N 115.939 -0.573 . . . . 0.71 112.039 -177.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.806 ' HB2' HG23 ' A' ' 38' ' ' VAL . . . -108.5 -48.53 3.31 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-O 121.066 0.46 . . . . 0.68 111.766 -174.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 106.19 62.25 0.61 Allowed Glycine 0 C--N 1.302 -1.317 0 C-N-CA 119.633 -1.27 . . . . 0.93 113.209 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.415 HG13 HG12 ' A' ' 15' ' ' VAL . 2.1 pp -104.94 158.46 31.99 Favored Pre-proline 0 C--N 1.301 -1.523 0 N-CA-C 109.163 -0.68 . . . . 0.6 109.163 173.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.415 ' C ' ' H ' ' A' ' 24' ' ' GLU . 24.0 Cg_exo -66.24 142.42 66.78 Favored 'Trans proline' 0 N--CA 1.445 -1.326 0 C-N-CA 121.612 1.541 . . . . 0.75 108.689 173.161 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.7 p -84.64 32.26 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.304 -1.411 0 CA-C-O 123.134 1.445 . . . . 1.48 110.26 -176.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.415 ' H ' ' C ' ' A' ' 22' ' ' PRO . 11.8 pt-20 -138.88 10.21 2.62 Favored 'General case' 0 C--N 1.302 -1.477 0 CA-C-N 113.86 -1.518 . . . . 2.03 108.079 178.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -100.52 -38.44 8.38 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.25 -0.886 . . . . 1.07 110.928 -178.213 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.446 HG22 HD22 ' A' ' 36' ' ' LEU . 20.1 t -82.39 91.98 2.4 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.396 0 CA-C-N 115.003 -0.999 . . . . 0.73 110.685 -173.455 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.552 ' H ' ' HG3' ' A' ' 30' ' ' LYS . 96.2 mttt -103.0 -178.27 3.61 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 108.184 -1.043 . . . . 2.83 108.184 173.549 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.443 HD11 ' HB3' ' A' ' 4' ' ' GLN . 4.6 mm? -65.02 -28.1 69.27 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 114.376 1.25 . . . . 1.07 114.376 -175.735 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -88.39 15.96 7.07 Favored 'General case' 0 N--CA 1.486 1.328 0 N-CA-C 112.147 0.425 . . . . 2.47 112.147 -178.6 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.552 ' HG3' ' H ' ' A' ' 27' ' ' LYS . 28.5 mmmt -100.76 134.57 43.53 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 108.899 -0.778 . . . . 1.06 108.899 179.727 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.613 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 0.7 OUTLIER -109.65 151.09 27.32 Favored 'General case' 0 C--N 1.291 -1.956 0 N-CA-C 107.246 -1.391 . . . . 1.31 107.246 176.03 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.539 ' HA ' HD12 ' A' ' 36' ' ' LEU . 98.5 m-85 -54.88 -48.0 73.53 Favored 'General case' 0 C--N 1.311 -1.066 0 N-CA-C 114.557 1.317 . . . . 1.03 114.557 -172.029 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.0 t -121.77 23.1 10.28 Favored 'General case' 0 C--N 1.297 -1.702 0 C-N-CA 118.448 -1.301 . . . . 1.37 110.577 -178.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.573 ' HB2' ' HB2' ' A' ' 31' ' ' SER . 10.2 m-20 -115.2 -36.41 4.38 Favored 'General case' 0 C--N 1.307 -1.276 0 N-CA-C 108.856 -0.794 . . . . 2.31 108.856 176.258 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -123.28 -27.61 4.11 Favored 'General case' 0 CA--C 1.494 -1.185 0 CA-C-N 115.643 -0.708 . . . . 1.67 110.891 -176.41 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.539 HD12 ' HA ' ' A' ' 32' ' ' PHE . 71.3 mt -88.34 147.96 24.51 Favored 'General case' 0 N--CA 1.429 -1.524 0 CA-C-O 121.436 0.636 . . . . 0.69 112.069 -176.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -96.75 70.69 2.54 Favored 'General case' 0 C--N 1.284 -2.254 0 CA-C-O 123.08 1.419 . . . . 2.15 110.354 -178.106 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.806 HG23 ' HB2' ' A' ' 19' ' ' ALA . 12.9 p -127.67 171.4 16.01 Favored 'Isoleucine or valine' 0 C--N 1.267 -3.018 0 N-CA-C 105.041 -2.207 . . . . 2.23 105.041 173.118 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -69.91 -84.62 0.03 OUTLIER 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 109.003 -0.74 . . . . 2.96 109.003 172.668 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 68.1 p 156.89 -47.73 0.0 OUTLIER 'General case' 0 C--O 1.212 -0.873 0 C-N-CA 127.089 2.155 . . . . 1.19 108.386 173.319 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.4 mp -69.33 -25.68 64.33 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 107.234 -1.395 . . . . 1.34 107.234 177.401 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 34.0 t -81.56 -14.89 56.29 Favored 'General case' 0 CA--C 1.562 1.406 0 CA-C-N 113.959 -1.473 . . . . 1.26 110.819 175.051 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.51 ' CE ' ' H3A' ' A' ' 101' ' ' SXO . 7.8 tmm? -73.06 -23.01 60.51 Favored 'General case' 0 N--CA 1.484 1.234 0 N-CA-C 108.004 -1.11 . . . . 0.97 108.004 -179.395 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.493 ' HA ' HG12 ' A' ' 47' ' ' VAL . 27.7 t -61.77 -22.7 29.05 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.718 0 CA-C-O 121.671 0.748 . . . . 0.65 109.904 176.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -76.85 -30.73 56.43 Favored 'General case' 0 CA--C 1.555 1.15 0 CA-C-N 115.595 -0.73 . . . . 2.06 110.575 176.49 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.553 HG23 ' CG2' ' A' ' 14' ' ' ILE . 7.2 p -81.27 -40.11 17.94 Favored 'Isoleucine or valine' 0 C--N 1.343 0.32 0 O-C-N 121.903 -0.498 . . . . 1.43 111.255 179.422 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.493 HG12 ' HA ' ' A' ' 44' ' ' VAL . 10.2 p -60.76 -37.33 75.85 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.98 0 C-N-CA 120.579 -0.449 . . . . 0.53 112.024 -179.59 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 13.4 p -70.55 -26.59 28.9 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.748 0 CA-C-O 121.458 0.647 . . . . 0.65 110.71 179.256 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.644 ' HB3' HG21 ' A' ' 14' ' ' ILE . . . -82.82 -26.22 31.93 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.522 0.677 . . . . 0.32 109.356 177.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.78 -34.24 77.4 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 115.888 -0.596 . . . . 0.36 110.806 178.17 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -52.95 -56.91 12.46 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.134 -0.484 . . . . 0.78 111.837 179.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.551 ' HG3' ' N ' ' A' ' 53' ' ' ARG . 5.4 pt-20 -62.42 -38.7 90.73 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 121.003 0.43 . . . . 0.96 111.43 -179.766 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.552 ' HG3' HD11 ' A' ' 14' ' ' ILE . 4.2 mmp_? -70.19 -41.12 74.14 Favored 'General case' 0 N--CA 1.441 -0.879 0 CA-C-N 116.003 -0.544 . . . . 3.85 112.303 -172.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -94.14 2.86 55.91 Favored 'General case' 0 CA--C 1.5 -0.952 0 C-N-CA 120.488 -0.485 . . . . 0.4 111.728 -178.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 33.4 t70 65.51 33.81 8.41 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-O 122.311 1.053 . . . . 1.95 109.975 175.251 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 16.8 m -114.93 -172.78 0.58 Allowed 'Isoleucine or valine' 0 C--O 1.242 0.687 0 CA-C-N 115.005 -0.998 . . . . 1.37 111.488 -178.286 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 32.3 mtmm -138.53 129.37 26.63 Favored 'General case' 0 C--N 1.315 -0.928 0 N-CA-C 105.294 -2.113 . . . . 3.34 105.294 176.523 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.487 HG12 ' HE2' ' A' ' 75' ' ' TYR . 23.8 mt -131.42 109.64 14.89 Favored Pre-proline 0 C--N 1.304 -1.41 0 N-CA-C 109.529 -0.545 . . . . 0.57 109.529 -179.079 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.561 ' O ' HG23 ' A' ' 63' ' ' VAL . 20.8 Cg_exo -65.83 141.22 64.38 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 123.328 2.685 . . . . 0.63 111.216 -179.192 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -48.6 -46.56 39.61 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 124.277 1.031 . . . . 2.3 112.365 -176.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -69.31 -35.3 75.83 Favored 'General case' 0 CA--C 1.494 -1.187 0 CA-C-N 115.75 -0.659 . . . . 2.38 111.314 -177.511 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -80.32 -26.22 38.89 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-N 116.085 -0.507 . . . . 1.52 110.053 -175.585 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 59' ' ' PRO . 79.1 t -55.63 -62.53 0.78 Allowed 'Isoleucine or valine' 0 C--O 1.213 -0.838 0 N-CA-C 107.734 -1.209 . . . . 0.79 107.734 171.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -65.51 -2.81 3.66 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.872 -1.058 . . . . 1.24 113.534 -174.596 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -86.98 -19.24 29.02 Favored 'General case' 0 C--N 1.31 -1.133 0 N-CA-C 109.611 -0.514 . . . . 2.07 109.611 178.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.651 HD13 ' HA ' ' A' ' 72' ' ' ALA . 80.5 mt -83.05 179.55 7.72 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.814 -0.63 . . . . 0.6 110.602 -178.055 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.558 ' HA ' ' S1 ' ' A' ' 101' ' ' SXO . 14.3 ptmm? -148.83 -53.49 0.18 Allowed 'General case' 0 CA--C 1.555 1.139 0 N-CA-C 113.492 0.923 . . . . 2.69 113.492 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.613 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 58.1 p -101.56 175.8 5.44 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 121.506 -0.746 . . . . 0.46 109.242 -178.359 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 25.0 m -77.39 -22.65 14.32 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.767 0 C-N-CA 119.186 -1.005 . . . . 0.66 108.949 174.202 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -70.64 -43.19 60.92 Favored Glycine 0 N--CA 1.444 -0.77 0 N-CA-C 109.957 -1.257 . . . . 0.46 109.957 177.122 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.438 ' OD2' ' HA ' ' A' ' 66' ' ' LEU . 30.9 t70 -67.0 -29.63 69.51 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.678 0.752 . . . . 1.62 109.519 179.013 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.651 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -77.12 -43.33 34.5 Favored 'General case' 0 N--CA 1.441 -0.918 0 CA-C-N 115.096 -0.956 . . . . 0.51 110.412 179.033 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 37.0 p -60.66 -27.99 68.24 Favored 'General case' 0 N--CA 1.441 -0.917 0 N-CA-C 112.73 0.641 . . . . 0.46 112.73 179.279 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -62.12 -50.23 72.74 Favored 'General case' 0 C--O 1.216 -0.684 0 O-C-N 123.668 0.605 . . . . 3.54 109.496 177.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.487 ' HE2' HG12 ' A' ' 58' ' ' ILE . 84.2 t80 -54.97 -44.29 74.27 Favored 'General case' 0 C--O 1.246 0.912 0 CA-C-O 121.329 0.585 . . . . 0.83 111.016 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 62.5 mt -71.84 -66.65 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.46 0 CA-C-N 114.804 -1.089 . . . . 0.65 109.639 -177.173 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.559 HD22 ' HG3' ' A' ' 4' ' ' GLN . 50.1 tp -53.3 -34.12 56.06 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.933 1.293 . . . . 1.74 113.502 -175.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -67.18 -36.25 81.37 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-O 120.935 0.398 . . . . 1.32 111.771 -179.336 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 56.2 m80 -103.31 -60.78 1.5 Allowed 'General case' 0 C--N 1.312 -1.04 0 CA-C-O 121.215 0.531 . . . . 2.89 111.018 -176.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 50.04 -161.82 0.06 Allowed 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 126.034 1.734 . . . . 2.23 112.251 -176.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.412 -2.334 0 N-CA-C 106.901 -1.518 . . . . 3.38 106.901 175.304 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' SXO . . . . . 0.608 HN36 H28A ' A' ' 101' ' ' SXO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_