data_2ct2_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 2ct2 _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 ' 15' ' ' VAL . . . . . 0.471 ' O ' ' N ' ' A' ' 17' ' ' GLU . 34.4 m . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.817 0.341 . . . . 0.0 111.064 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.473 ' O ' ' CD2' ' A' ' 25' ' ' PHE . 21.3 mt -38.31 -28.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 15' ' ' VAL . 3.2 mt-10 -104.37 161.72 13.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.454 ' O ' ' HA ' ' A' ' 22' ' ' MET . 52.4 t -72.89 135.1 80.75 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.652 0.739 . . . . 0.0 110.881 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -0.99 7.73 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.671 2.248 . . . . 0.0 112.328 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 62.5 mt -109.6 -74.48 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.136 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.417 ' SG ' ' HB3' ' A' ' 18' ' ' CYS . 5.2 p -73.83 -28.8 61.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.838 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.454 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 10.1 mtp 69.2 44.92 0.92 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -119.19 132.15 55.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.863 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.416 ' O ' ' CG2' ' A' ' 26' ' ' THR . 1.5 t -44.01 122.47 2.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.823 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.518 ' CG ' ' HB3' ' A' ' 32' ' ' PRO . 14.4 m-85 -56.82 101.26 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.918 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.416 ' CG2' ' O ' ' A' ' 24' ' ' SER . 1.6 p -109.99 112.4 24.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.168 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 28' ' ' GLU . 17.4 mt-10 -47.9 -49.3 30.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 27' ' ' GLU . 7.6 pt-20 -35.57 -48.42 0.51 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.893 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.403 ' C ' ' NE2' ' A' ' 29' ' ' GLN . 0.8 OUTLIER -130.2 -72.04 0.58 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.924 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.419 HD21 ' NE2' ' A' ' 44' ' ' GLN . 15.3 mt -74.12 93.83 2.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 25.0 mtp180 -92.56 128.47 44.22 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.633 0.73 . . . . 0.0 110.857 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.518 ' HB3' ' CG ' ' A' ' 25' ' ' PHE . 53.7 Cg_endo -69.81 119.49 6.42 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.697 2.265 . . . . 0.0 112.297 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.8 mmmt -119.34 141.17 49.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.404 ' CD1' ' O ' ' A' ' 38' ' ' GLY . 6.7 tp -108.05 126.19 52.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.966 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.45 HD23 ' CD1' ' A' ' 46' ' ' LEU . 96.0 mt -81.55 162.58 23.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.566 ' CD2' HG21 ' A' ' 66' ' ' THR . 19.3 m170 -60.25 -8.78 2.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 29.0 p -88.57 -46.48 9.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.404 ' O ' ' CD1' ' A' ' 34' ' ' LEU . . . 140.89 -29.8 2.31 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.474 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 30.4 m170 -63.49 145.11 56.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.853 0.359 . . . . 0.0 110.84 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.416 HG23 ' ND2' ' A' ' 77' ' ' ASN . 37.2 m -107.72 132.11 53.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.474 HG22 ' N ' ' A' ' 42' ' ' CYS . 9.7 mt -140.87 148.17 22.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.114 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.474 ' N ' HG22 ' A' ' 41' ' ' ILE . 17.0 p -71.47 133.52 45.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.419 ' HD2' ' N ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -38.88 -36.4 0.27 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.444 ' HB3' ' SG ' ' A' ' 42' ' ' CYS . 3.3 tt0 -52.9 -56.42 16.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 59.9 m -65.14 -42.3 93.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.45 ' CD1' HD23 ' A' ' 35' ' ' LEU . 5.6 tp -61.98 -33.94 75.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.427 ' CD ' HD13 ' A' ' 71' ' ' LEU . 4.2 mm-40 -63.96 -50.0 70.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -51.66 -36.39 46.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.953 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 92.6 mt -78.64 -53.21 7.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 51' ' ' ALA . 2.3 tt -51.92 -46.7 64.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 50' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.093 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 97.6 t -93.89 131.45 40.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.766 0.317 . . . . 0.0 111.154 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 28.3 ttp180 -87.9 115.37 25.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.445 ' O ' ' HA ' ' A' ' 63' ' ' SER . 42.7 t -68.17 124.94 90.89 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.668 0.747 . . . . 0.0 110.895 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 3.66 2.67 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.672 2.248 . . . . 0.0 112.322 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -106.58 -62.32 1.41 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 24.9 p -102.43 -23.75 13.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.827 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.445 ' HA ' ' O ' ' A' ' 59' ' ' CYS . 3.7 t 74.98 43.43 0.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 27.9 mttm -102.1 94.22 5.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.879 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 33.5 mm -41.11 126.14 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.127 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.566 HG21 ' CD2' ' A' ' 36' ' ' HIS . 1.2 m -103.01 84.41 2.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.116 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 22.5 mmt85 -52.86 87.21 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.488 HG21 ' N ' ' A' ' 74' ' ' LEU . 1.7 pt -149.72 116.92 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.112 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 15.2 t -72.73 -30.95 64.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.136 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.2 t -113.76 157.93 21.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.427 HD13 ' CD ' ' A' ' 47' ' ' GLU . 65.7 mt -68.79 -26.42 65.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.937 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 10.9 t -82.95 -24.41 33.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.139 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -50.71 -55.52 16.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.873 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.488 ' N ' HG21 ' A' ' 68' ' ' ILE . 2.2 pp -51.52 -175.1 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.918 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 58.0 m -83.26 126.28 32.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.151 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -68.72 151.38 46.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.818 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.469 ' ND2' HG23 ' A' ' 79' ' ' THR . 3.0 t30 -125.9 68.4 1.18 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.947 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.432 ' C ' HD21 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -81.3 -5.01 57.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.97 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.469 HG23 ' ND2' ' A' ' 77' ' ' ASN . 9.9 t -56.63 -39.92 74.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.162 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.481 HG22 ' CB ' ' A' ' 32' ' ' PRO . 21.2 m -67.13 -32.26 56.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.167 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 40.1 mt . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.878 179.959 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 33.7 m . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.868 0.366 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 29.4 mt -44.22 -23.06 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -107.81 150.62 26.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.917 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.44 ' O ' ' HA ' ' A' ' 22' ' ' MET . 52.0 t -67.29 135.09 93.33 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.659 0.743 . . . . 0.0 110.841 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.547 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 54.1 Cg_endo -69.78 -0.42 6.91 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.675 2.25 . . . . 0.0 112.359 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 50.0 mt -111.45 -75.42 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.142 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.405 ' SG ' ' HB3' ' A' ' 18' ' ' CYS . 8.0 p -73.16 -29.57 62.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.44 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 79.3 mmm 69.91 40.04 1.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.471 ' HB3' ' CD1' ' A' ' 30' ' ' LEU . 29.9 mt-10 -116.73 124.07 48.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 23' ' ' GLU . 5.9 t -35.11 133.33 0.32 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.848 -179.788 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.426 ' CG ' ' HB3' ' A' ' 32' ' ' PRO . 36.3 m-85 -70.67 108.44 4.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.896 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.416 ' C ' ' N ' ' A' ' 28' ' ' GLU . 12.6 p -111.63 109.67 19.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.155 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -45.04 -20.95 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.416 ' N ' ' C ' ' A' ' 26' ' ' THR . 20.9 tt0 -67.12 -47.06 72.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.913 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -128.93 -76.38 0.56 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.909 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.471 ' CD1' ' HB3' ' A' ' 23' ' ' GLU . 59.8 mt -65.42 75.6 0.06 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.927 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -72.85 121.29 84.64 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.591 0.71 . . . . 0.0 110.879 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.487 ' CB ' HG21 ' A' ' 80' ' ' VAL . 53.3 Cg_endo -69.81 107.6 1.9 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.669 2.246 . . . . 0.0 112.327 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -110.9 131.98 54.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 75' ' ' THR . 5.9 tp -94.72 124.5 38.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.9 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 47.6 mt -79.0 162.3 26.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.961 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 27.1 m170 -61.68 -8.25 4.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.506 ' CB ' ' SG ' ' A' ' 62' ' ' CYS . 24.3 p -89.38 -45.91 9.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 140.08 -23.68 2.73 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.519 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.415 ' ND1' ' HB2' ' A' ' 61' ' ' PHE . 25.2 m170 -68.41 144.28 54.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.901 0.381 . . . . 0.0 110.838 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.506 ' CG2' ' ND2' ' A' ' 77' ' ' ASN . 74.9 m -108.49 118.19 36.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.15 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.484 HG23 ' N ' ' A' ' 42' ' ' CYS . 53.9 mt -127.51 150.51 33.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.1 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.484 ' N ' HG23 ' A' ' 41' ' ' ILE . 17.5 p -72.33 138.64 47.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -44.94 -32.78 1.74 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.445 ' HB3' ' SG ' ' A' ' 42' ' ' CYS . 5.5 tt0 -56.75 -51.32 69.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.448 ' HB2' ' CG2' ' A' ' 41' ' ' ILE . 56.6 m -70.71 -37.55 73.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.1 tp -66.6 -34.14 77.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -65.03 -48.49 73.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.48 -36.5 61.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.921 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 72.9 mt -77.42 -52.41 9.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.91 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.421 ' O ' ' C ' ' A' ' 51' ' ' ALA . 1.2 tt -54.92 -39.66 69.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.952 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 50' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 60.5 t -134.84 116.72 21.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.828 0.347 . . . . 0.0 111.112 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.453 ' CZ ' ' HB3' ' A' ' 58' ' ' ARG . 19.6 ttp-105 -78.13 117.51 19.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.82 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.48 ' O ' ' HA ' ' A' ' 63' ' ' SER . 36.5 t -73.89 125.67 90.1 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.647 0.736 . . . . 0.0 110.883 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 4.38 2.2 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.666 2.244 . . . . 0.0 112.34 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.547 ' CZ ' ' HB2' ' A' ' 19' ' ' PRO . 29.7 m-85 -109.53 -55.97 2.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.506 ' SG ' ' CB ' ' A' ' 37' ' ' CYS . 26.3 p -111.26 -8.95 14.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.857 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.48 ' HA ' ' O ' ' A' ' 59' ' ' CYS . 74.9 m 52.3 51.36 16.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 71.7 mttt -113.09 97.2 6.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.922 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 44.2 mm -40.95 124.29 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.126 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.47 ' CG2' HG12 ' A' ' 68' ' ' ILE . 5.4 m -76.99 -30.6 56.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.175 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 5.5 mmt-85 64.03 54.69 1.65 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.924 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.477 HG22 ' N ' ' A' ' 74' ' ' LEU . 1.1 pt -133.25 118.75 33.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.103 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 9.7 t -63.95 -39.79 94.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.196 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 45.6 m -107.05 179.68 4.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 19.9 mt -89.21 -40.59 12.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 8.0 t -71.24 -12.79 61.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.103 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -64.04 -57.09 10.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.936 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.477 ' N ' HG22 ' A' ' 68' ' ' ILE . 0.5 OUTLIER -52.45 179.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 34' ' ' LEU . 21.4 m -74.4 131.33 40.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.14 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -78.96 147.83 32.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.506 ' ND2' ' CG2' ' A' ' 40' ' ' THR . 4.2 t30 -120.98 61.52 0.89 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.922 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.438 ' N ' HD23 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -74.9 -5.88 46.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.427 HG23 ' N ' ' A' ' 80' ' ' VAL . 9.9 t -54.53 -41.31 69.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.116 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.487 HG21 ' CB ' ' A' ' 32' ' ' PRO . 23.3 m -62.21 -35.77 70.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.156 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 42.8 mt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.95 179.926 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.4 m . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.866 0.365 . . . . 0.0 111.079 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.438 ' O ' ' CD2' ' A' ' 25' ' ' PHE . 20.5 mt -55.6 -18.14 7.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -107.42 153.37 22.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.902 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.444 ' O ' ' HA ' ' A' ' 22' ' ' MET . 53.9 t -66.58 136.29 94.79 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.638 0.732 . . . . 0.0 110.882 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.506 ' CD ' ' O ' ' A' ' 40' ' ' THR . 53.4 Cg_endo -69.77 0.5 5.56 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.636 2.224 . . . . 0.0 112.385 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 41.2 mt -115.12 -74.72 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.106 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 15.5 p -74.77 -26.13 59.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.444 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 16.3 mmt 63.86 52.47 2.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -120.38 129.56 53.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 65.5 p -41.79 105.09 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.438 ' CD2' ' O ' ' A' ' 16' ' ' LEU . 17.9 m-85 -41.99 100.43 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.872 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 37.0 p -101.17 109.41 21.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.13 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -44.44 -38.3 3.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.94 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -45.82 -65.12 0.59 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.86 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 11.1 tp60 -116.67 -70.67 0.78 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.942 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.447 HD22 ' NE2' ' A' ' 44' ' ' GLN . 74.3 mt -65.86 75.44 0.08 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -80.73 128.58 71.38 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.586 0.708 . . . . 0.0 110.856 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.484 ' CB ' HG23 ' A' ' 80' ' ' VAL . 53.6 Cg_endo -69.75 119.59 6.52 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.651 2.234 . . . . 0.0 112.359 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm -121.8 132.57 54.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.472 ' CD1' ' O ' ' A' ' 38' ' ' GLY . 5.9 tp -96.47 132.74 41.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.434 HD22 ' CD1' ' A' ' 46' ' ' LEU . 63.4 mt -85.98 162.5 18.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.491 ' CD2' HG21 ' A' ' 66' ' ' THR . 19.0 m170 -58.48 -10.94 2.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.805 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.401 ' CB ' ' SG ' ' A' ' 62' ' ' CYS . 29.3 p -89.23 -47.29 8.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.858 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.472 ' O ' ' CD1' ' A' ' 34' ' ' LEU . . . 142.18 -29.37 2.18 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.507 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 28.6 m170 -62.36 142.91 57.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.895 0.379 . . . . 0.0 110.847 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.506 ' O ' ' CD ' ' A' ' 19' ' ' PRO . 87.9 m -104.58 131.93 51.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.167 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.464 HG23 ' N ' ' A' ' 42' ' ' CYS . 10.6 mt -140.46 145.49 25.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.153 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.464 ' N ' HG23 ' A' ' 41' ' ' ILE . 17.5 p -71.7 131.55 43.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.415 ' HG3' ' N ' ' A' ' 44' ' ' GLN . 2.3 ppt_? -37.38 -34.57 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.447 ' NE2' HD22 ' A' ' 30' ' ' LEU . 5.0 tt0 -56.7 -50.22 72.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.935 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.46 ' HB2' ' CG2' ' A' ' 41' ' ' ILE . 52.0 m -71.25 -40.17 71.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.434 ' CD1' HD22 ' A' ' 35' ' ' LEU . 6.1 tp -62.04 -41.0 97.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.892 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.422 ' CD ' HD12 ' A' ' 71' ' ' LEU . 4.5 mm-40 -55.85 -51.4 67.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -51.21 -36.67 42.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 95.9 mt -75.52 -54.55 6.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.884 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.2 tt -52.69 -35.3 55.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.124 179.79 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.414 ' HA3' ' CG2' ' A' ' 65' ' ' ILE . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 88.6 t -100.77 133.23 44.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.844 0.354 . . . . 0.0 111.106 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 24.6 ttm180 -87.22 125.25 34.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.467 ' O ' ' HA ' ' A' ' 63' ' ' SER . 16.9 t -84.35 126.1 70.26 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.659 0.742 . . . . 0.0 110.916 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 3.82 2.57 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.696 2.264 . . . . 0.0 112.349 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -110.09 -63.5 1.37 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.401 ' SG ' ' CB ' ' A' ' 37' ' ' CYS . 22.3 p -99.04 -20.06 16.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.902 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.467 ' HA ' ' O ' ' A' ' 59' ' ' CYS . 5.3 p 65.73 43.05 3.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -103.06 100.74 10.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.9 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.414 ' CG2' ' HA3' ' A' ' 56' ' ' GLY . 48.5 mm -45.66 120.17 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.151 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.491 HG21 ' CD2' ' A' ' 36' ' ' HIS . 7.5 m -95.37 84.82 4.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 5.2 mmm180 -51.65 87.72 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.826 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.483 HG23 ' N ' ' A' ' 74' ' ' LEU . 1.3 pt -149.48 106.27 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.124 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 12.0 t -63.46 -29.31 70.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.155 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 50.3 m -112.73 165.87 11.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.422 HD12 ' CD ' ' A' ' 47' ' ' GLU . 91.2 mt -77.29 -28.76 53.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.906 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 8.7 t -83.42 -22.46 32.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.11 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -50.8 -51.94 45.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.911 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.483 ' N ' HG23 ' A' ' 68' ' ' ILE . 1.4 pp -52.59 -174.5 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.948 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.412 ' O ' ' N ' ' A' ' 34' ' ' LEU . 85.6 m -83.77 126.12 32.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.127 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -72.18 148.96 45.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.842 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 20.3 t30 -125.25 67.4 1.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.435 ' C ' ' CD2' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -78.98 12.47 2.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.938 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.403 HG22 ' N ' ' A' ' 80' ' ' VAL . 9.3 t -76.63 -39.66 51.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.484 HG23 ' CB ' ' A' ' 32' ' ' PRO . 31.3 m -67.92 -26.91 35.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.151 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 87.3 mt . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 179.934 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 21.7 m . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.859 0.361 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 28.3 mt -47.5 -20.73 0.26 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -110.03 149.91 29.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.887 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.44 ' O ' ' HA ' ' A' ' 22' ' ' MET . 53.3 t -62.76 134.38 95.41 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.594 0.711 . . . . 0.0 110.904 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.481 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 54.0 Cg_endo -69.74 1.18 4.66 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.72 2.28 . . . . 0.0 112.336 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 25.4 mt -111.95 -74.59 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.158 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.413 ' SG ' ' HB3' ' A' ' 18' ' ' CYS . 6.0 p -73.77 -25.62 60.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.44 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 85.7 mmm 66.43 40.94 3.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.88 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -117.87 126.67 52.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.933 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.3 t -38.11 125.71 1.26 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.496 ' CG ' ' HB3' ' A' ' 32' ' ' PRO . 29.3 m-85 -59.96 100.08 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 27' ' ' GLU . 24.0 p -101.15 99.1 9.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.18 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 26' ' ' THR . 1.3 pp20? -36.95 -40.49 0.29 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -44.52 -59.87 2.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -118.28 -70.35 0.8 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.944 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 59.7 mt -69.67 82.91 0.43 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.938 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 56.1 mtm-85 -81.94 126.53 74.87 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.604 0.716 . . . . 0.0 110.897 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.496 ' HB3' ' CG ' ' A' ' 25' ' ' PHE . 53.9 Cg_endo -69.8 115.59 4.17 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.632 2.222 . . . . 0.0 112.389 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.45 ' NZ ' ' O ' ' A' ' 71' ' ' LEU . 14.2 mmmt -112.33 142.51 44.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.888 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.7 tp -110.26 132.39 54.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.954 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 90.3 mt -92.52 162.63 14.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.559 ' CD2' HG22 ' A' ' 66' ' ' THR . 19.0 m170 -60.85 -8.45 3.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 30.0 p -88.48 -43.18 11.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 136.2 -30.65 2.7 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.454 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 23.1 m170 -61.1 141.17 57.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.847 0.356 . . . . 0.0 110.886 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.439 ' HG1' ' ND2' ' A' ' 77' ' ' ASN . 27.7 m -107.16 122.52 46.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.139 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.484 HG23 ' N ' ' A' ' 42' ' ' CYS . 11.2 mt -130.7 148.22 33.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.1 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.484 ' N ' HG23 ' A' ' 41' ' ' ILE . 16.8 p -72.13 148.66 45.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.406 ' HD2' ' C ' ' A' ' 43' ' ' ARG . 5.3 ppt_? -50.9 -36.64 39.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.446 ' HB3' ' SG ' ' A' ' 42' ' ' CYS . 6.0 tt0 -53.6 -51.87 61.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.411 ' HB2' ' CG2' ' A' ' 41' ' ' ILE . 76.8 m -72.75 -41.69 64.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.421 ' CD2' HD23 ' A' ' 71' ' ' LEU . 5.9 tp -61.09 -33.65 73.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.431 ' CD ' HD11 ' A' ' 71' ' ' LEU . 5.0 mm-40 -67.04 -49.69 64.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.928 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -50.62 -32.71 19.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.904 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 70.8 mt -84.08 -55.47 4.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.929 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.2 tt -50.0 -41.83 47.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.082 179.807 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.463 ' HA3' ' CG2' ' A' ' 65' ' ' ILE . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.486 -0.245 . . . . 0.0 112.486 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 60.5 t -87.49 130.65 36.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.824 0.345 . . . . 0.0 111.11 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.422 ' HB3' ' NH1' ' A' ' 58' ' ' ARG . 20.5 ttp-105 -91.29 116.93 29.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.824 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.413 ' O ' ' HA ' ' A' ' 63' ' ' SER . 33.3 t -71.82 121.16 83.75 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.637 0.732 . . . . 0.0 110.904 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 3.3 2.84 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.695 2.263 . . . . 0.0 112.349 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.481 ' CZ ' ' HB2' ' A' ' 19' ' ' PRO . 33.3 m-85 -104.46 -55.35 2.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 24.8 p -109.04 -22.97 11.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.85 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.413 ' HA ' ' O ' ' A' ' 59' ' ' CYS . 8.5 t 71.13 48.74 0.36 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.865 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 76.8 mttt -114.18 100.74 8.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.463 ' CG2' ' HA3' ' A' ' 56' ' ' GLY . 44.9 mm -45.45 124.34 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.148 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.559 HG22 ' CD2' ' A' ' 36' ' ' HIS . 7.5 m -76.91 -28.45 55.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.174 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 10.7 mmm180 60.99 53.29 3.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.475 HD11 ' CD2' ' A' ' 74' ' ' LEU . 1.8 pt -131.47 116.98 33.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.135 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 11.9 t -84.46 34.93 0.53 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.088 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.9 m -175.68 151.71 1.2 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.842 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.45 ' O ' ' NZ ' ' A' ' 33' ' ' LYS . 59.7 mt -70.73 -23.5 62.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.406 HG23 ' N ' ' A' ' 73' ' ' GLN . 13.2 t -87.72 -26.9 22.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.158 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.406 ' N ' HG23 ' A' ' 72' ' ' THR . 4.5 mm100 -51.31 -60.81 2.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.475 ' CD2' HD11 ' A' ' 68' ' ' ILE . 2.3 pp -51.31 -175.14 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.948 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 98.8 m -87.43 127.14 35.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.104 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -71.68 156.23 39.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.439 ' ND2' ' HG1' ' A' ' 40' ' ' THR . 26.8 t-20 -127.43 68.31 1.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.533 ' C ' ' CD2' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -85.02 16.26 3.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.4 t -83.36 -30.06 27.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.119 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.488 HG23 ' CB ' ' A' ' 32' ' ' PRO . 15.3 m -72.65 -26.9 24.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.085 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 74.1 mt . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.881 179.974 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.474 ' O ' ' N ' ' A' ' 17' ' ' GLU . 33.0 m . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.899 0.381 . . . . 0.0 111.128 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.9 mt -39.95 -25.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.913 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 15' ' ' VAL . 4.3 mt-10 -109.32 150.31 28.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.448 ' O ' ' HA ' ' A' ' 22' ' ' MET . 53.6 t -62.85 135.87 96.2 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.595 0.712 . . . . 0.0 110.85 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.575 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 53.6 Cg_endo -69.75 0.22 5.95 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.69 2.26 . . . . 0.0 112.329 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 47.6 mt -114.71 -74.06 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.122 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.402 ' O ' ' HB2' ' A' ' 22' ' ' MET . 20.8 p -75.82 -27.03 57.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.448 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 7.1 mmt 66.07 49.33 1.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -119.22 126.81 52.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 99.9 p -39.85 121.19 1.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.836 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -59.84 106.69 0.52 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.887 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 39.0 p -85.56 -174.44 5.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.146 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -96.4 -63.61 1.13 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -83.99 27.13 0.67 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.5 ' O ' ' C ' ' A' ' 30' ' ' LEU . 3.0 tp60 -173.38 171.35 4.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.568 ' CD2' ' NE2' ' A' ' 44' ' ' GLN . 25.5 mt 30.22 45.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.937 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.9 mtp85 -58.69 128.73 84.18 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.637 0.732 . . . . 0.0 110.877 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.485 ' HG3' ' CG2' ' A' ' 80' ' ' VAL . 53.6 Cg_endo -69.8 113.34 3.35 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.652 2.235 . . . . 0.0 112.359 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.0 mmmm -112.28 130.55 55.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.466 ' N ' ' O ' ' A' ' 75' ' ' THR . 6.8 tp -97.76 132.75 43.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.467 HD21 ' CD1' ' A' ' 46' ' ' LEU . 87.2 mt -91.49 162.61 14.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.914 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.577 ' CD2' HG22 ' A' ' 66' ' ' THR . 21.7 m170 -62.34 -6.95 3.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 29.9 p -88.92 -45.14 9.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 139.33 -30.2 2.45 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.473 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 26.4 m170 -64.24 144.21 57.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.847 0.356 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.432 ' O ' ' CD ' ' A' ' 19' ' ' PRO . 28.7 m -110.7 122.61 48.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.186 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.497 HG22 ' N ' ' A' ' 42' ' ' CYS . 55.7 mt -131.15 152.26 37.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.134 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.497 ' N ' HG22 ' A' ' 41' ' ' ILE . 16.3 p -72.03 147.51 46.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.516 ' HG3' ' N ' ' A' ' 44' ' ' GLN . 3.3 ptt180 -53.04 -32.19 45.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.568 ' NE2' ' CD2' ' A' ' 30' ' ' LEU . 6.7 tt0 -57.81 -45.07 86.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.922 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.472 ' HB2' ' CG2' ' A' ' 41' ' ' ILE . 92.7 m -79.81 -32.07 40.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.467 ' CD1' HD21 ' A' ' 35' ' ' LEU . 5.2 tp -70.27 -33.29 71.41 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -68.75 -45.91 70.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.88 -30.02 65.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.901 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 95.9 mt -85.37 -51.55 6.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.935 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.405 ' HG ' ' CG2' ' A' ' 57' ' ' VAL . 1.7 tt -53.32 -42.19 66.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.89 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.109 179.781 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.405 ' CG2' ' HG ' ' A' ' 50' ' ' LEU . 86.1 t -135.35 113.65 15.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.797 0.332 . . . . 0.0 111.128 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.419 ' HB3' ' NH1' ' A' ' 58' ' ' ARG . 20.5 ttp-105 -73.74 118.49 16.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.452 ' O ' ' HA ' ' A' ' 63' ' ' SER . 35.4 t -71.41 127.99 90.57 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.614 0.721 . . . . 0.0 110.913 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 3.6 2.68 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.676 2.251 . . . . 0.0 112.343 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.575 ' CZ ' ' HB2' ' A' ' 19' ' ' PRO . 28.7 m-85 -112.9 -59.01 2.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 26.6 p -103.15 -18.93 14.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.452 ' HA ' ' O ' ' A' ' 59' ' ' CYS . 5.7 t 61.86 46.32 6.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.833 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 38.6 mttm -110.23 95.0 5.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.855 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 45.7 mm -37.73 124.75 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.154 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.577 HG22 ' CD2' ' A' ' 36' ' ' HIS . 18.1 m -77.41 -28.48 52.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 7.2 mmt180 64.88 54.84 1.26 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.499 HD12 ' CD2' ' A' ' 74' ' ' LEU . 1.1 pt -132.23 124.55 52.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.158 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.2 p -68.49 -46.39 69.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.131 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.2 p -104.29 173.29 6.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.416 HD23 ' CD2' ' A' ' 46' ' ' LEU . 15.8 mt -79.87 -41.4 26.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 11.2 t -68.23 -7.39 30.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.166 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.459 ' HB3' ' CG2' ' A' ' 68' ' ' ILE . 2.9 mt-30 -67.26 -61.55 1.86 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.499 ' CD2' HD12 ' A' ' 68' ' ' ILE . 1.7 pp -49.23 -179.53 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.466 ' O ' ' N ' ' A' ' 34' ' ' LEU . 85.7 m -77.5 135.5 38.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.171 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -82.43 150.6 27.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.434 ' ND2' HG23 ' A' ' 79' ' ' THR . 24.2 t-20 -124.36 67.25 1.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.868 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.505 ' C ' ' CD2' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -81.75 14.94 2.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.943 179.913 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.434 HG23 ' ND2' ' A' ' 77' ' ' ASN . 15.2 t -79.21 -31.21 43.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.118 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.485 ' CG2' ' HG3' ' A' ' 32' ' ' PRO . 18.7 m -78.37 -26.55 14.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.122 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 64.5 mt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 -179.971 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 17' ' ' GLU . 34.1 m . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.837 0.351 . . . . 0.0 111.127 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 66.0 mt -41.21 -24.88 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.951 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 15' ' ' VAL . 9.7 mt-10 -106.1 152.52 23.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.884 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.456 ' O ' ' HA ' ' A' ' 22' ' ' MET . 53.3 t -68.04 135.89 91.78 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.641 0.734 . . . . 0.0 110.843 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.519 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 53.3 Cg_endo -69.8 0.45 5.66 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.693 2.262 . . . . 0.0 112.32 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 36.1 mt -113.81 -75.29 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.152 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.407 ' O ' ' HB2' ' A' ' 22' ' ' MET . 11.1 p -73.57 -26.91 61.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.879 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.456 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 7.8 mmt 67.54 43.13 1.96 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.896 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 24' ' ' SER . 28.0 mm-40 -117.64 126.85 53.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 23' ' ' GLU . 6.3 t -36.28 129.75 0.7 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.866 -179.795 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.507 ' CG ' ' HB3' ' A' ' 32' ' ' PRO . 15.4 m-85 -66.64 101.07 0.74 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.88 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 46.0 p -96.16 137.85 34.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.104 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -82.02 11.49 5.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -106.72 -43.86 4.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -126.63 -68.54 0.8 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.929 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.475 ' CD2' ' NE2' ' A' ' 44' ' ' GLN . 21.7 mt -78.76 82.03 5.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 38.1 mtp180 -81.15 128.32 71.11 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.596 0.713 . . . . 0.0 110.847 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.507 ' HB3' ' CG ' ' A' ' 25' ' ' PHE . 54.0 Cg_endo -69.72 121.58 8.27 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.714 2.276 . . . . 0.0 112.392 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.9 mmmt -119.11 136.92 53.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.928 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.405 ' N ' ' O ' ' A' ' 75' ' ' THR . 5.9 tp -104.69 128.17 52.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 70.8 mt -86.53 162.5 18.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.969 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.581 ' CD2' HG21 ' A' ' 66' ' ' THR . 22.3 m170 -62.27 -7.28 4.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.4 p -90.33 -44.13 9.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 139.47 -32.14 2.27 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.492 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 23.4 m170 -60.92 140.86 57.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.87 0.367 . . . . 0.0 110.855 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.453 ' O ' ' CD ' ' A' ' 19' ' ' PRO . 4.5 m -107.54 119.59 39.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.126 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.508 HG23 ' N ' ' A' ' 42' ' ' CYS . 45.1 mt -129.0 149.18 33.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.1 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.508 ' N ' HG23 ' A' ' 41' ' ' ILE . 16.1 p -71.97 143.15 49.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.853 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.505 ' HG3' ' N ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -47.82 -36.92 12.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.505 ' N ' ' HG3' ' A' ' 43' ' ' ARG . 12.4 tt0 -53.91 -47.17 71.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.445 ' HB2' ' CG2' ' A' ' 41' ' ' ILE . 58.0 m -76.13 -34.66 59.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.418 ' CD2' HD22 ' A' ' 71' ' ' LEU . 5.8 tp -67.02 -31.89 72.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.414 ' CD ' HD11 ' A' ' 71' ' ' LEU . 3.6 mm-40 -65.02 -47.21 78.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.415 ' HZ2' ' CG ' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -54.14 -37.22 64.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.916 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 58.4 mt -79.22 -50.27 11.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.5 tt -58.54 -31.03 67.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.054 179.825 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.403 ' HA3' ' CG2' ' A' ' 65' ' ' ILE . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 89.5 t -117.16 101.89 12.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.778 0.323 . . . . 0.0 111.142 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 23.0 ttm180 -63.91 114.58 4.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.484 ' O ' ' N ' ' A' ' 63' ' ' SER . 18.8 t -68.43 124.23 89.42 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.579 0.704 . . . . 0.0 110.886 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 3.97 2.46 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.706 2.27 . . . . 0.0 112.352 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.519 ' CZ ' ' HB2' ' A' ' 19' ' ' PRO . 28.4 m-85 -110.87 -52.37 2.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 27.7 p -113.06 -11.73 13.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.484 ' N ' ' O ' ' A' ' 59' ' ' CYS . 63.6 m 53.86 51.69 14.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.827 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.467 ' O ' ' C ' ' A' ' 65' ' ' ILE . 49.0 mttm -114.77 88.42 2.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.467 ' C ' ' O ' ' A' ' 64' ' ' LYS . 29.3 mm -30.93 129.77 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.581 HG21 ' CD2' ' A' ' 36' ' ' HIS . 21.6 m -86.25 -27.25 24.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.124 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 20.5 mmt180 64.47 53.76 1.59 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.483 ' CD1' ' HB3' ' A' ' 74' ' ' LEU . 2.2 pt -134.59 105.34 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.153 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.436 ' H ' ' NE2' ' A' ' 73' ' ' GLN . 5.8 t -61.68 -30.53 70.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.121 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.2 t -106.12 168.38 9.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.418 HD22 ' CD2' ' A' ' 46' ' ' LEU . 49.4 mt -85.37 -21.76 28.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.932 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 15.2 t -88.83 -24.93 22.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.166 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.436 ' NE2' ' H ' ' A' ' 69' ' ' THR . 5.7 mt-30 -50.22 -52.91 31.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.483 ' HB3' ' CD1' ' A' ' 68' ' ' ILE . 2.4 pp -53.69 -174.21 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.405 ' O ' ' N ' ' A' ' 34' ' ' LEU . 86.9 m -88.14 123.83 33.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.196 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -68.93 153.18 44.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.874 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -124.76 66.98 1.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.943 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.479 ' C ' ' CD2' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -80.98 12.87 3.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.7 t -79.69 -35.7 38.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.131 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.485 ' CG2' ' HG3' ' A' ' 32' ' ' PRO . 17.1 m -70.76 -23.94 24.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.121 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 21.8 mt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.95 179.97 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 28.2 m . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.889 0.376 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 27.6 mt -44.83 -23.17 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.965 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -112.04 140.81 46.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.459 ' O ' ' HA ' ' A' ' 22' ' ' MET . 53.5 t -55.07 135.77 67.64 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.635 0.731 . . . . 0.0 110.879 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.526 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 53.9 Cg_endo -69.73 0.18 6.0 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.744 2.296 . . . . 0.0 112.363 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 30.3 mt -113.41 -73.86 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.121 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 11.2 p -75.59 -26.71 58.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.877 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.459 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 14.9 mmt 66.41 51.54 1.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.844 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.425 ' HB3' ' CD1' ' A' ' 30' ' ' LEU . 15.4 mt-10 -121.08 135.0 55.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.866 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 24.3 p -44.7 130.44 7.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.531 ' CG ' ' HB3' ' A' ' 32' ' ' PRO . 28.8 m-85 -75.36 101.02 4.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.5 t -121.8 137.04 54.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.115 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -75.88 48.72 0.49 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -132.97 -44.04 0.87 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 42.0 tp60 -132.55 -35.48 1.13 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.941 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.425 ' CD1' ' HB3' ' A' ' 23' ' ' GLU . 4.7 mt -121.69 107.37 12.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.972 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 64.2 mtm180 -96.62 124.02 52.09 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.591 0.71 . . . . 0.0 110.883 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.531 ' HB3' ' CG ' ' A' ' 25' ' ' PHE . 53.9 Cg_endo -69.84 113.71 3.48 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.696 2.264 . . . . 0.0 112.332 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.8 mmmt -114.16 134.05 55.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.42 ' CD1' ' O ' ' A' ' 38' ' ' GLY . 5.7 tp -98.05 129.13 44.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.912 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 84.8 mt -85.36 162.64 18.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.939 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.523 ' CD2' HG21 ' A' ' 66' ' ' THR . 22.8 m170 -58.95 -10.12 2.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.444 ' CB ' ' HD2' ' A' ' 64' ' ' LYS . 28.9 p -89.16 -47.02 8.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.862 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.42 ' O ' ' CD1' ' A' ' 34' ' ' LEU . . . 141.05 -29.49 2.31 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.48 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 28.5 m170 -61.89 142.76 57.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.88 0.371 . . . . 0.0 110.837 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.642 ' HG1' ' ND2' ' A' ' 77' ' ' ASN . 90.4 m -105.41 123.52 48.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.112 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.443 ' CG2' ' HB2' ' A' ' 45' ' ' CYS . 10.6 mt -130.87 146.11 34.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.112 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.468 ' SG ' ' HB3' ' A' ' 44' ' ' GLN . 19.0 p -71.46 135.81 47.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.413 ' HD3' ' C ' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -41.81 -31.49 0.32 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.84 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.468 ' HB3' ' SG ' ' A' ' 42' ' ' CYS . 5.1 tt0 -58.85 -50.25 74.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.443 ' HB2' ' CG2' ' A' ' 41' ' ' ILE . 63.6 m -72.44 -41.4 66.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.853 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.462 HD23 ' CD2' ' A' ' 71' ' ' LEU . 5.6 tp -63.46 -36.95 85.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -60.14 -49.69 76.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.66 -36.55 57.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 90.4 mt -77.33 -54.03 6.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.925 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.3 tt -52.38 -43.48 64.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.133 179.739 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 47.6 t -89.86 135.84 25.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.804 0.335 . . . . 0.0 111.12 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 56.3 ttp85 -94.01 118.24 31.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.431 ' O ' ' HA ' ' A' ' 63' ' ' SER . 34.4 t -71.89 127.2 90.99 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.624 0.726 . . . . 0.0 110.901 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 2.96 3.08 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.722 2.281 . . . . 0.0 112.281 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.526 ' CZ ' ' HB2' ' A' ' 19' ' ' PRO . 24.4 m-85 -109.74 -67.13 1.01 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.873 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 27.4 p -97.72 -21.09 17.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.865 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.431 ' HA ' ' O ' ' A' ' 59' ' ' CYS . 20.2 m 66.26 45.57 2.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.467 ' O ' ' C ' ' A' ' 65' ' ' ILE . 85.9 mttt -99.44 87.31 3.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.467 ' C ' ' O ' ' A' ' 64' ' ' LYS . 42.7 mm -32.52 125.68 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.134 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.523 HG21 ' CD2' ' A' ' 36' ' ' HIS . 0.8 OUTLIER -104.83 82.58 1.9 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.178 179.92 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.7 mpt_? -51.52 90.07 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.87 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.493 HG23 ' N ' ' A' ' 74' ' ' LEU . 1.1 pt -151.73 106.98 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.111 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.467 ' N ' ' OE1' ' A' ' 73' ' ' GLN . 3.6 t -62.41 -36.94 83.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.152 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.6 t -107.05 161.17 14.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.462 ' CD2' HD23 ' A' ' 46' ' ' LEU . 27.6 mt -75.09 -26.47 59.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.959 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 7.0 t -85.07 -7.46 59.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.093 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.467 ' OE1' ' N ' ' A' ' 69' ' ' THR . 10.1 mt-30 -67.84 -53.94 22.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.917 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.493 ' N ' HG23 ' A' ' 68' ' ' ILE . 1.6 pp -53.78 -174.26 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.954 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.402 ' O ' ' N ' ' A' ' 34' ' ' LEU . 85.4 m -82.96 129.53 35.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.16 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.39 149.8 31.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.851 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.642 ' ND2' ' HG1' ' A' ' 40' ' ' THR . 24.8 t30 -124.58 66.26 1.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.525 ' C ' ' CD2' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -82.12 19.67 1.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.2 t -84.94 -34.8 22.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.172 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.478 ' CG2' ' HG3' ' A' ' 32' ' ' PRO . 18.7 m -68.87 -34.94 67.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.133 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.0 mt . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 179.997 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 17' ' ' GLU . 33.8 m . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.895 0.379 . . . . 0.0 111.154 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.48 ' O ' ' CD2' ' A' ' 25' ' ' PHE . 23.2 mt -41.46 -24.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.939 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 15' ' ' VAL . 4.2 mt-10 -106.0 135.61 47.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.451 ' O ' ' HA ' ' A' ' 22' ' ' MET . 53.8 t -51.53 136.66 32.78 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.611 0.719 . . . . 0.0 110.94 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.41 ' HD2' ' SG ' ' A' ' 18' ' ' CYS . 53.8 Cg_endo -69.81 0.41 5.72 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.677 2.251 . . . . 0.0 112.305 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.5 mt -114.3 -74.35 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.097 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.4 ' SG ' ' HB3' ' A' ' 18' ' ' CYS . 8.6 p -74.81 -25.84 59.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.867 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.451 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 3.9 mmt 63.08 45.53 5.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.413 ' HB3' ' CD1' ' A' ' 30' ' ' LEU . 23.4 mm-40 -114.66 126.33 54.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 23' ' ' GLU . 31.8 p -37.13 103.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.89 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.526 ' CG ' ' HB3' ' A' ' 32' ' ' PRO . 17.0 m-85 -39.77 99.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.865 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 30' ' ' LEU . 58.7 p -97.07 131.34 43.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.13 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -72.64 -18.11 61.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -70.21 -53.11 18.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -122.79 -70.62 0.77 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.443 HD22 ' NE2' ' A' ' 44' ' ' GLN . 34.0 mt -68.78 70.91 0.2 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 30.8 mtm105 -73.55 122.33 87.34 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.61 0.719 . . . . 0.0 110.895 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.526 ' HB3' ' CG ' ' A' ' 25' ' ' PHE . 53.9 Cg_endo -69.83 123.63 10.27 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.653 2.236 . . . . 0.0 112.351 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.429 ' HB3' ' CD1' ' A' ' 74' ' ' LEU . 0.4 OUTLIER -123.93 143.53 50.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 179.918 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.411 ' O ' ' O ' ' A' ' 75' ' ' THR . 6.7 tp -103.04 132.64 49.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 75.3 mt -88.22 162.84 16.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.659 ' CD2' ' CG2' ' A' ' 66' ' ' THR . 21.3 m170 -61.93 -7.47 3.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.832 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 26.6 p -89.28 -48.34 7.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 142.31 -25.9 2.32 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.468 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 30.2 m170 -69.28 146.84 51.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.855 0.359 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.453 ' OG1' ' ND2' ' A' ' 77' ' ' ASN . 98.6 m -109.93 125.72 53.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.175 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.461 ' CG2' ' HB2' ' A' ' 45' ' ' CYS . 56.0 mt -134.38 150.91 31.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.089 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.458 ' SG ' ' HB3' ' A' ' 44' ' ' GLN . 19.3 p -74.84 145.51 42.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.891 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.415 ' HG3' ' N ' ' A' ' 44' ' ' GLN . 0.5 OUTLIER -47.07 -37.03 8.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.906 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.458 ' HB3' ' SG ' ' A' ' 42' ' ' CYS . 7.2 tt0 -53.41 -58.45 7.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.461 ' HB2' ' CG2' ' A' ' 41' ' ' ILE . 95.8 m -65.29 -42.19 93.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.2 tp -62.34 -28.64 69.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.43 ' CD ' HD13 ' A' ' 71' ' ' LEU . 5.3 mm-40 -69.67 -47.35 63.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -53.51 -34.69 59.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.853 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.434 ' CD1' ' HD3' ' A' ' 60' ' ' PRO . 95.1 mt -80.35 -54.22 5.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.906 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.4 tt -52.52 -43.86 65.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.941 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.111 179.766 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 57.2 t -80.51 119.97 31.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.843 0.354 . . . . 0.0 111.093 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 41.3 ttt-85 -85.27 116.48 23.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.85 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.44 ' O ' ' HA ' ' A' ' 63' ' ' SER . 53.2 t -64.23 128.95 93.77 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.583 0.706 . . . . 0.0 110.917 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.434 ' HD3' ' CD1' ' A' ' 49' ' ' LEU . 53.7 Cg_endo -69.73 3.25 2.87 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.663 2.242 . . . . 0.0 112.327 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -115.59 -63.36 1.46 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.855 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 31.7 p -100.27 -12.5 19.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.44 ' HA ' ' O ' ' A' ' 59' ' ' CYS . 89.5 p 51.65 47.04 25.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.468 ' O ' ' C ' ' A' ' 65' ' ' ILE . 26.1 mtpt -100.12 87.82 3.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.892 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.468 ' C ' ' O ' ' A' ' 64' ' ' LYS . 44.4 mm -32.15 123.95 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.116 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.659 ' CG2' ' CD2' ' A' ' 36' ' ' HIS . 17.9 m -83.4 -29.02 28.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.124 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 8.5 mmt180 63.75 53.99 1.89 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.482 HG21 ' N ' ' A' ' 74' ' ' LEU . 1.5 pt -123.3 156.86 29.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.105 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 12.3 t -122.62 31.69 6.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.092 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.407 ' C ' ' N ' ' A' ' 72' ' ' THR . 1.4 t -175.54 128.33 0.26 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.856 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.43 HD13 ' CD ' ' A' ' 47' ' ' GLU . 46.2 mt -43.68 -22.95 0.06 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.933 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.425 ' O ' ' C ' ' A' ' 73' ' ' GLN . 9.0 t -90.6 -38.13 13.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.177 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 72' ' ' THR . 11.6 mm100 -35.65 -59.85 0.54 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.482 ' N ' HG21 ' A' ' 68' ' ' ILE . 1.9 pp -50.86 -175.35 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.916 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.46 HG23 ' N ' ' A' ' 76' ' ' ASP . 88.1 m -79.81 154.77 28.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.161 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.46 ' N ' HG23 ' A' ' 75' ' ' THR . 2.8 m-20 -98.29 154.75 17.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.879 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.453 ' ND2' ' OG1' ' A' ' 40' ' ' THR . 27.9 t-20 -127.8 59.72 1.46 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.485 ' C ' ' CD2' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -72.49 2.42 6.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.952 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 15.3 t -67.61 -36.03 80.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.208 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.482 HG21 ' CB ' ' A' ' 32' ' ' PRO . 34.1 m -68.37 -33.4 60.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.118 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 14.1 mt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.906 179.972 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 32.7 m . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.929 0.395 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.419 ' O ' ' CD2' ' A' ' 25' ' ' PHE . 16.6 mt -43.88 -27.72 0.38 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -104.19 157.44 17.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.926 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.431 ' O ' ' HA ' ' A' ' 22' ' ' MET . 54.1 t -69.62 135.38 88.24 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.66 0.743 . . . . 0.0 110.864 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.493 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 53.1 Cg_endo -69.81 0.67 5.35 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.698 2.265 . . . . 0.0 112.304 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 35.2 mt -112.1 -73.92 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.149 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 6.5 p -75.77 -28.69 58.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.859 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.431 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 82.2 mmm 69.08 45.13 0.93 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -116.59 124.03 48.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 25' ' ' PHE . 58.4 p -39.66 105.19 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.823 -179.766 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.491 ' CG ' ' HB3' ' A' ' 32' ' ' PRO . 22.3 m-85 -35.79 98.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.872 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.428 ' CG2' ' O ' ' A' ' 24' ' ' SER . 30.6 p -97.11 98.21 9.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.165 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 26' ' ' THR . 2.2 tt0 -37.11 -39.44 0.25 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.924 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -46.66 -61.54 1.79 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.837 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -116.23 -73.01 0.66 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.943 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.8 mt -66.35 83.6 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.93 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 20.6 mtt85 -84.3 128.62 61.31 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.569 0.7 . . . . 0.0 110.915 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.491 ' HB3' ' CG ' ' A' ' 25' ' ' PHE . 53.8 Cg_endo -69.72 115.28 4.01 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.718 2.279 . . . . 0.0 112.363 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.459 ' CB ' HD22 ' A' ' 46' ' ' LEU . 14.0 mmmt -115.62 133.29 56.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.934 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 75' ' ' THR . 5.9 tp -96.03 131.92 41.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.452 HD22 ' CD1' ' A' ' 46' ' ' LEU . 93.3 mt -88.57 162.09 16.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.442 ' CG ' HG22 ' A' ' 66' ' ' THR . 23.8 m170 -62.96 -6.98 4.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 27.9 p -89.36 -46.99 8.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 142.59 -29.14 2.15 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.487 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 31.0 m170 -67.58 145.8 54.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.888 0.375 . . . . 0.0 110.87 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.612 ' HG1' ' ND2' ' A' ' 77' ' ' ASN . 67.2 m -108.11 127.78 54.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.503 HG21 ' N ' ' A' ' 42' ' ' CYS . 26.6 mt -133.57 149.38 30.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.503 ' N ' HG21 ' A' ' 41' ' ' ILE . 15.6 p -71.76 149.89 44.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.446 ' HG3' ' N ' ' A' ' 44' ' ' GLN . 4.7 ppt_? -51.97 -36.87 51.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.474 ' HB3' ' SG ' ' A' ' 42' ' ' CYS . 6.6 tt0 -54.02 -47.69 71.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.464 ' HB2' ' CG2' ' A' ' 41' ' ' ILE . 84.3 m -80.09 -37.72 33.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.459 HD22 ' CB ' ' A' ' 33' ' ' LYS . 11.4 tp -62.65 -33.68 75.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.946 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.424 ' CD ' HD23 ' A' ' 71' ' ' LEU . 5.9 mm-40 -69.02 -53.19 21.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.31 -32.24 47.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.941 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 89.4 mt -80.61 -42.46 22.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.915 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.9 tt -62.52 -40.11 95.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.937 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.176 179.751 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 46.2 t -113.58 113.81 45.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.858 0.361 . . . . 0.0 111.151 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 27.6 ttm180 -78.84 113.21 16.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 63' ' ' SER . 30.2 t -74.6 122.6 87.87 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.643 0.735 . . . . 0.0 110.894 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 2.22 3.7 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.703 2.269 . . . . 0.0 112.365 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.493 ' CZ ' ' HB2' ' A' ' 19' ' ' PRO . 26.9 m-85 -104.37 -56.33 2.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.841 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 22.1 p -105.98 -26.62 11.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.886 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.407 ' HA ' ' O ' ' A' ' 59' ' ' CYS . 6.3 t 72.57 44.67 0.38 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.882 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 65' ' ' ILE . 50.3 mttt -106.83 90.87 3.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.868 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.417 ' C ' ' O ' ' A' ' 64' ' ' LYS . 44.5 mm -36.7 121.94 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.13 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.442 HG22 ' CG ' ' A' ' 36' ' ' HIS . 1.5 m -98.16 83.01 3.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.146 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -59.88 83.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.406 ' N ' ' O ' ' A' ' 66' ' ' THR . 0.8 OUTLIER -130.51 -40.15 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.157 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 54.27 32.5 16.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.155 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.48 ' HB3' ' CG ' ' A' ' 73' ' ' GLN . 0.5 OUTLIER -172.84 125.74 0.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.84 -179.848 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.517 ' O ' ' CD1' ' A' ' 74' ' ' LEU . 43.1 mt -52.23 -36.84 53.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.942 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 10.0 t -78.64 -39.01 38.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.136 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.48 ' CG ' ' HB3' ' A' ' 70' ' ' SER . 5.2 mm100 -42.61 -63.44 0.78 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.517 ' CD1' ' O ' ' A' ' 71' ' ' LEU . 0.8 OUTLIER -50.99 179.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.953 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.446 ' O ' ' N ' ' A' ' 34' ' ' LEU . 23.1 m -83.84 133.93 34.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.164 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -81.93 151.04 27.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.906 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.612 ' ND2' ' HG1' ' A' ' 40' ' ' THR . 24.9 t-20 -117.57 67.28 0.74 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.456 ' C ' ' CD2' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -79.34 11.85 2.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.423 HG22 ' ND2' ' A' ' 77' ' ' ASN . 13.0 t -79.11 -29.75 43.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.174 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.477 HG23 ' CB ' ' A' ' 32' ' ' PRO . 17.3 m -73.33 -25.55 21.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.126 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 20.2 mt . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.906 179.972 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 31.6 m . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.803 0.335 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 24.1 mt -43.87 -23.75 0.1 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -108.81 159.44 16.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.478 ' O ' ' HA ' ' A' ' 22' ' ' MET . 54.0 t -72.71 135.03 81.21 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.606 0.717 . . . . 0.0 110.875 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.418 ' C ' ' HE3' ' A' ' 22' ' ' MET . 54.0 Cg_endo -69.7 1.06 4.73 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.712 2.274 . . . . 0.0 112.357 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 36.7 mt -112.48 -74.75 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.157 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 7.0 p -74.32 -23.84 59.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.478 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 6.0 mmt 67.81 49.28 0.95 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.423 ' HB3' ' CD1' ' A' ' 30' ' ' LEU . 9.7 mm-40 -123.07 140.88 52.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.894 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -51.9 137.06 27.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.527 ' CG ' ' HB3' ' A' ' 32' ' ' PRO . 22.4 m-85 -76.55 102.46 6.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -117.67 142.6 47.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.114 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.412 ' CD ' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -83.62 34.73 0.49 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -122.77 -45.38 2.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.882 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -128.09 -46.91 1.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.473 HD21 ' NE2' ' A' ' 44' ' ' GLN . 5.4 mt -113.65 89.76 3.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.885 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 23.5 mtp85 -82.21 130.02 61.45 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.575 0.702 . . . . 0.0 110.895 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.527 ' HB3' ' CG ' ' A' ' 25' ' ' PHE . 53.7 Cg_endo -69.72 129.36 17.5 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.679 2.253 . . . . 0.0 112.341 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.6 mmmt -130.93 133.32 45.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.443 ' CD1' ' O ' ' A' ' 38' ' ' GLY . 6.8 tp -100.72 129.89 46.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 91.1 mt -85.3 162.48 19.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 16.3 m170 -58.62 -10.26 2.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.848 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.445 ' CB ' ' SG ' ' A' ' 62' ' ' CYS . 27.6 p -88.62 -47.1 8.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.902 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.443 ' O ' ' CD1' ' A' ' 34' ' ' LEU . . . 140.88 -28.11 2.41 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.526 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.437 ' CE1' ' HB3' ' A' ' 61' ' ' PHE . 28.6 m170 -63.02 143.08 58.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.92 0.39 . . . . 0.0 110.829 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 89.3 m -106.28 123.4 47.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.151 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.452 HG22 ' N ' ' A' ' 42' ' ' CYS . 8.1 mt -131.82 146.82 32.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.127 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.452 ' N ' HG22 ' A' ' 41' ' ' ILE . 17.0 p -71.07 137.4 48.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.891 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.411 ' HD2' ' C ' ' A' ' 43' ' ' ARG . 0.7 OUTLIER -42.75 -32.99 0.66 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.93 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.473 ' NE2' HD21 ' A' ' 30' ' ' LEU . 4.5 tt0 -58.43 -47.22 84.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.449 ' HB2' ' CG2' ' A' ' 41' ' ' ILE . 55.4 m -75.9 -38.4 57.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.842 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.474 HD21 ' CD2' ' A' ' 71' ' ' LEU . 5.5 tp -63.86 -40.64 97.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.403 ' CD ' HD12 ' A' ' 71' ' ' LEU . 4.3 mm-40 -56.79 -49.7 74.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -52.33 -36.82 54.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 80.2 mt -76.87 -51.91 10.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.0 tt -52.68 -40.36 62.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.087 179.78 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 60.0 t -120.44 112.84 38.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.836 0.351 . . . . 0.0 111.143 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -72.72 119.86 17.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.413 ' O ' ' HA ' ' A' ' 63' ' ' SER . 49.5 t -79.54 125.94 81.76 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.627 0.727 . . . . 0.0 110.906 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 2.76 3.25 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.664 2.243 . . . . 0.0 112.376 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.437 ' HB3' ' CE1' ' A' ' 39' ' ' HIS . 27.9 m-85 -106.45 -62.52 1.38 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.445 ' SG ' ' CB ' ' A' ' 37' ' ' CYS . 25.5 p -104.24 -21.44 13.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.413 ' HA ' ' O ' ' A' ' 59' ' ' CYS . 19.4 m 67.49 49.53 1.0 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.477 ' O ' ' C ' ' A' ' 65' ' ' ILE . 61.1 mttt -105.37 87.54 2.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.852 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.477 ' C ' ' O ' ' A' ' 64' ' ' LYS . 48.7 mm -31.81 120.15 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.125 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 4.3 m -98.77 88.42 4.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -57.32 92.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.865 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.496 HG23 ' N ' ' A' ' 74' ' ' LEU . 3.0 pt -156.07 108.49 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.152 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 9.4 t -67.54 -25.92 66.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.104 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.2 t -113.83 163.08 15.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.474 ' CD2' HD21 ' A' ' 46' ' ' LEU . 47.1 mt -76.74 -26.87 55.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.952 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 8.8 t -84.58 -21.56 30.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.127 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -53.77 -50.49 65.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.496 ' N ' HG23 ' A' ' 68' ' ' ILE . 0.6 OUTLIER -56.76 -174.86 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.408 ' O ' ' N ' ' A' ' 34' ' ' LEU . 91.1 m -83.72 124.81 31.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.157 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -72.87 152.91 41.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.877 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -130.47 64.47 1.55 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.45 ' CD2' ' N ' ' A' ' 79' ' ' THR . 0.0 OUTLIER -75.04 -9.95 59.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.93 179.923 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.45 ' N ' ' CD2' ' A' ' 78' ' ' LEU . 10.0 t -51.09 -45.78 61.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.183 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.469 HG21 ' CB ' ' A' ' 25' ' ' PHE . 19.0 m -61.19 -33.32 55.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.6 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 -179.981 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' A' ' 17' ' ' GLU . 34.6 m . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.863 0.363 . . . . 0.0 111.163 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.6 mt -40.32 -26.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.919 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 15' ' ' VAL . 10.8 mt-10 -105.77 147.28 28.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.44 ' O ' ' HA ' ' A' ' 22' ' ' MET . 51.7 t -67.82 135.82 92.29 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.621 0.724 . . . . 0.0 110.867 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.441 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 53.9 Cg_endo -69.77 1.3 4.56 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.672 2.248 . . . . 0.0 112.321 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 37.4 mt -114.94 -74.81 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.171 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.41 ' SG ' ' HB3' ' A' ' 18' ' ' CYS . 14.6 p -73.97 -25.32 59.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.902 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.44 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 12.6 mmt 64.17 46.73 3.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -119.21 123.08 43.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.904 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 19.8 m -43.35 109.58 0.15 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -44.77 118.77 1.71 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.879 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.3 p -94.33 -174.63 3.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.118 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -78.65 -36.8 43.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.463 ' O ' ' C ' ' A' ' 29' ' ' GLN . 6.3 mp0 -130.94 -61.13 0.95 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.463 ' C ' ' O ' ' A' ' 28' ' ' GLU . 29.0 tp60 -32.01 -61.03 0.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.944 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.483 ' CD2' ' NE2' ' A' ' 44' ' ' GLN . 9.7 mt -129.65 80.62 1.97 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.8 mmt180 -72.63 131.62 84.24 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.629 0.728 . . . . 0.0 110.885 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.474 ' HG3' ' CG2' ' A' ' 80' ' ' VAL . 53.4 Cg_endo -69.74 138.46 37.93 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.756 2.304 . . . . 0.0 112.322 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.2 mmmt -134.52 134.88 41.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.884 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' A' ' 75' ' ' THR . 7.4 tp -105.1 126.18 51.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.936 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 93.5 mt -82.81 162.53 21.64 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.563 ' CD2' HG22 ' A' ' 66' ' ' THR . 14.9 m170 -61.25 -7.62 3.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.463 ' CB ' ' SG ' ' A' ' 62' ' ' CYS . 30.2 p -89.66 -46.63 8.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 142.52 -30.98 2.06 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.491 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 28.1 m170 -61.85 145.83 51.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.892 0.377 . . . . 0.0 110.882 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 86.1 m -109.61 122.71 48.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.136 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.473 HG22 ' N ' ' A' ' 42' ' ' CYS . 13.8 mt -131.91 147.18 32.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.16 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.473 ' N ' HG22 ' A' ' 41' ' ' ILE . 19.5 p -71.77 143.17 49.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.921 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 5.2 ppt_? -46.12 -35.62 5.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.483 ' NE2' ' CD2' ' A' ' 30' ' ' LEU . 7.4 tt0 -54.62 -52.92 60.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.912 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.455 ' HB2' ' CG2' ' A' ' 41' ' ' ILE . 68.8 m -70.4 -44.54 67.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.473 HD21 ' CD2' ' A' ' 74' ' ' LEU . 4.8 tp -58.3 -38.85 77.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.435 ' CD ' HD13 ' A' ' 71' ' ' LEU . 4.2 mm-40 -59.46 -54.14 50.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.16 -38.48 5.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.913 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 71.0 mt -78.64 -56.9 4.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.42 ' CB ' HG23 ' A' ' 57' ' ' VAL . 2.6 tt -45.96 -30.34 1.75 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.945 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.124 179.828 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.42 HG23 ' CB ' ' A' ' 50' ' ' LEU . 83.4 t -123.82 103.71 13.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.887 0.375 . . . . 0.0 111.15 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 23.2 ttt180 -61.75 135.55 57.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.865 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.455 ' O ' ' HA ' ' A' ' 63' ' ' SER . 49.7 t -89.25 130.91 42.33 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.689 0.756 . . . . 0.0 110.868 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 3.6 2.68 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.683 2.255 . . . . 0.0 112.338 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.441 ' CZ ' ' HB2' ' A' ' 19' ' ' PRO . 35.6 m-85 -115.23 -67.39 1.0 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.463 ' SG ' ' CB ' ' A' ' 37' ' ' CYS . 27.3 p -96.44 -15.38 21.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.455 ' HA ' ' O ' ' A' ' 59' ' ' CYS . 18.1 p 59.25 43.93 16.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.895 -179.789 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.5 ' O ' ' C ' ' A' ' 65' ' ' ILE . 8.1 mtpm? -97.49 86.77 3.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.5 ' C ' ' O ' ' A' ' 64' ' ' LYS . 42.8 mm -29.97 120.38 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.137 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.563 HG22 ' CD2' ' A' ' 36' ' ' HIS . 2.2 m -98.0 85.71 3.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.101 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.17 91.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.48 HD11 ' CG ' ' A' ' 74' ' ' LEU . 1.4 pt -154.65 111.83 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.116 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.6 t -68.04 -29.26 68.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.155 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -115.05 158.52 21.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.855 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.435 HD13 ' CD ' ' A' ' 47' ' ' GLU . 86.5 mt -68.33 -32.3 72.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.926 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 14.7 t -78.62 -28.23 45.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.188 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -45.15 -56.06 5.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.941 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.48 ' CG ' HD11 ' A' ' 68' ' ' ILE . 1.0 OUTLIER -55.22 -174.25 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.43 ' O ' ' N ' ' A' ' 34' ' ' LEU . 94.5 m -82.84 125.3 31.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -76.88 152.09 35.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -122.86 66.8 0.96 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.873 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.523 ' C ' ' CD2' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -80.97 14.27 2.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.944 179.92 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.9 t -82.42 -27.94 31.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.474 ' CG2' ' HG3' ' A' ' 32' ' ' PRO . 16.0 m -76.77 -30.35 18.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.088 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.7 mt . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.933 179.974 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.2 m . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.861 0.362 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 14.5 mt -50.83 -26.85 6.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -109.05 149.14 29.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.44 ' O ' ' HA ' ' A' ' 22' ' ' MET . 52.9 t -62.35 135.22 95.14 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.599 0.714 . . . . 0.0 110.868 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.468 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 53.8 Cg_endo -69.77 -0.75 7.38 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.703 2.268 . . . . 0.0 112.366 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 54.4 mt -112.26 -74.51 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.4 ' SG ' ' HB3' ' A' ' 18' ' ' CYS . 13.0 p -74.59 -29.22 61.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.44 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 17.0 mmt 67.51 47.08 1.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 24' ' ' SER . 16.9 mt-10 -119.9 122.0 40.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.93 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 23' ' ' GLU . 6.2 m -34.67 133.3 0.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.786 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.515 ' CG ' ' HB3' ' A' ' 32' ' ' PRO . 35.5 m-85 -72.85 106.64 4.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.903 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.0 t -112.71 141.92 45.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.154 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -84.95 42.14 0.91 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -131.92 -43.26 0.99 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -130.83 -54.19 1.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.411 HD23 ' NE2' ' A' ' 44' ' ' GLN . 14.2 mt -99.66 97.3 8.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.1 mmm180 -92.31 130.39 37.8 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.596 0.713 . . . . 0.0 110.835 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.515 ' HB3' ' CG ' ' A' ' 25' ' ' PHE . 53.4 Cg_endo -69.79 125.36 12.05 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.723 2.282 . . . . 0.0 112.318 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.6 mmmt -124.8 135.84 53.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.923 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.1 tp -101.23 135.6 42.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.47 HD21 ' CD1' ' A' ' 46' ' ' LEU . 71.5 mt -91.47 162.55 14.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.557 ' CD2' HG22 ' A' ' 66' ' ' THR . 32.0 m170 -60.88 -9.49 4.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.829 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 28.1 p -89.86 -44.06 10.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 139.2 -30.51 2.43 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.518 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 26.5 m170 -61.15 142.85 56.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.852 0.358 . . . . 0.0 110.832 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 86.1 m -106.58 129.77 54.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.12 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.472 HG21 ' N ' ' A' ' 42' ' ' CYS . 13.3 mt -139.1 150.15 23.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.158 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.472 ' N ' HG21 ' A' ' 41' ' ' ILE . 17.0 p -73.49 144.05 46.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.42 ' HG3' ' N ' ' A' ' 44' ' ' GLN . 2.0 ppt_? -46.99 -37.84 9.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.841 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.426 ' HB3' ' SG ' ' A' ' 42' ' ' CYS . 5.2 tt0 -52.15 -53.75 39.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.448 ' HB2' ' CG2' ' A' ' 41' ' ' ILE . 74.0 m -70.55 -40.6 73.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.47 ' CD1' HD21 ' A' ' 35' ' ' LEU . 5.9 tp -62.78 -30.15 71.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.428 ' CD ' HD11 ' A' ' 71' ' ' LEU . 4.8 mm-40 -69.37 -50.57 44.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.16 -31.38 42.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 81.5 mt -80.04 -46.78 15.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.93 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.8 tt -60.82 -41.02 94.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.943 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.146 179.748 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.422 ' HA3' ' CG2' ' A' ' 65' ' ' ILE . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 54.2 t -96.71 120.61 46.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.821 0.344 . . . . 0.0 111.184 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 56.3 ttm-85 -83.27 115.14 21.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.448 ' O ' ' N ' ' A' ' 63' ' ' SER . 14.3 t -74.77 119.41 76.62 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.627 0.727 . . . . 0.0 110.891 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 4.14 2.39 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.722 2.281 . . . . 0.0 112.309 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.468 ' CZ ' ' HB2' ' A' ' 19' ' ' PRO . 25.4 m-85 -103.42 -53.56 2.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.848 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 20.5 p -108.55 -15.28 14.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 59' ' ' CYS . 4.5 p 67.4 35.84 4.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.824 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.3 mtpt -107.98 125.04 51.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.856 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.422 ' CG2' ' HA3' ' A' ' 56' ' ' GLY . 29.7 mm -69.47 125.73 28.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.129 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.557 HG22 ' CD2' ' A' ' 36' ' ' HIS . 4.8 m -73.26 -32.87 64.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 8.2 mmm180 64.44 54.96 1.43 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.839 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.478 HG21 ' CA ' ' A' ' 74' ' ' LEU . 0.9 OUTLIER -127.53 134.16 66.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.158 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 8.8 t -98.88 26.54 5.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.161 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 10.6 t -172.63 149.97 2.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.459 HD23 ' CD2' ' A' ' 46' ' ' LEU . 73.6 mt -64.12 -34.62 78.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.927 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 10.0 t -80.78 -20.34 42.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.407 ' CD ' HG22 ' A' ' 68' ' ' ILE . 0.0 OUTLIER -55.91 -62.92 1.37 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.478 ' CA ' HG21 ' A' ' 68' ' ' ILE . 1.3 pp -50.24 -176.55 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 34.3 m -84.25 135.46 34.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.161 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -79.05 160.42 27.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.847 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -128.68 65.58 1.42 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.494 ' C ' ' CD2' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -80.91 9.57 6.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.2 t -79.13 -18.99 52.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.446 HG23 ' CB ' ' A' ' 32' ' ' PRO . 11.7 m -82.27 -21.03 9.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 28.5 mt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.948 179.957 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.468 ' O ' ' N ' ' A' ' 17' ' ' GLU . 33.9 m . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.855 0.36 . . . . 0.0 111.135 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 39.2 mt -40.5 -24.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 15' ' ' VAL . 3.6 mt-10 -108.29 161.72 14.75 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.447 ' O ' ' HA ' ' A' ' 22' ' ' MET . 53.3 t -78.4 135.61 61.09 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.594 0.711 . . . . 0.0 110.908 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.566 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 53.9 Cg_endo -69.72 -0.71 7.27 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.73 2.287 . . . . 0.0 112.371 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 28.9 mt -110.73 -74.56 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.133 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.4 ' O ' ' HB2' ' A' ' 22' ' ' MET . 5.7 p -75.29 -31.06 60.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.447 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 33.8 mmm 74.94 46.16 0.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -118.89 131.95 56.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.928 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.2 t -50.2 129.52 21.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.845 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -66.21 111.41 3.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.4 p -98.89 147.87 24.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -63.9 -29.62 70.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.859 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -81.43 -69.73 0.59 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.431 ' O ' ' C ' ' A' ' 30' ' ' LEU . 3.4 tt0 -105.23 -175.37 2.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.468 HD22 ' NE2' ' A' ' 44' ' ' GLN . 23.3 mt 35.02 39.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.959 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.72 134.54 27.16 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.594 0.712 . . . . 0.0 110.892 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.492 ' CB ' ' CG2' ' A' ' 80' ' ' VAL . 53.6 Cg_endo -69.77 133.16 24.89 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.694 2.263 . . . . 0.0 112.36 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.1 mmmt -135.2 135.69 41.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.861 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.405 ' O ' ' O ' ' A' ' 75' ' ' THR . 5.5 tp -105.42 135.46 46.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.941 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 71.7 mt -94.46 162.48 13.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.552 ' CD2' ' CG2' ' A' ' 66' ' ' THR . 25.0 m170 -60.8 -8.42 3.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.504 ' CB ' ' SG ' ' A' ' 62' ' ' CYS . 29.8 p -89.61 -46.55 8.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.903 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 141.17 -30.49 2.24 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.519 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 29.3 m170 -62.92 147.02 51.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.869 0.366 . . . . 0.0 110.819 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.6 ' HG1' ' ND2' ' A' ' 77' ' ' ASN . 24.2 m -113.65 117.63 32.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.201 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.491 ' CG2' ' HB2' ' A' ' 45' ' ' CYS . 44.9 mt -121.44 151.05 24.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.153 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.452 ' SG ' ' HB3' ' A' ' 44' ' ' GLN . 19.3 p -72.6 138.93 47.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.533 ' HG3' ' N ' ' A' ' 44' ' ' GLN . 3.7 ptt180 -44.69 -31.68 1.26 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.533 ' N ' ' HG3' ' A' ' 43' ' ' ARG . 6.6 tt0 -59.06 -52.95 63.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.491 ' HB2' ' CG2' ' A' ' 41' ' ' ILE . 69.4 m -70.6 -37.87 73.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.454 ' CD2' HD22 ' A' ' 74' ' ' LEU . 5.6 tp -63.01 -43.27 99.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -56.36 -49.24 74.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -55.74 -29.59 59.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 77.6 mt -80.64 -51.18 9.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.7 tt -59.44 -40.16 85.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 179.772 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.465 ' HA3' ' CG2' ' A' ' 65' ' ' ILE . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 84.7 t -91.32 114.43 28.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.777 0.322 . . . . 0.0 111.113 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 35.9 ttt180 -78.68 113.54 16.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.459 ' O ' ' HA ' ' A' ' 63' ' ' SER . 43.7 t -66.07 126.26 91.58 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.636 0.731 . . . . 0.0 110.875 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 4.01 2.46 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.725 2.283 . . . . 0.0 112.354 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.566 ' CZ ' ' HB2' ' A' ' 19' ' ' PRO . 38.6 m-85 -107.93 -60.28 1.73 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.504 ' SG ' ' CB ' ' A' ' 37' ' ' CYS . 22.2 p -104.04 -16.35 15.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.459 ' HA ' ' O ' ' A' ' 59' ' ' CYS . 19.0 m 58.65 51.6 7.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.867 -179.799 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.453 ' O ' ' C ' ' A' ' 65' ' ' ILE . 91.7 mttt -113.55 90.1 3.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.465 ' CG2' ' HA3' ' A' ' 56' ' ' GLY . 45.3 mm -33.25 124.73 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.552 ' CG2' ' CD2' ' A' ' 36' ' ' HIS . 11.7 m -83.56 -29.12 28.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.128 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.5 mmt180 63.93 55.03 1.64 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.477 HG23 ' N ' ' A' ' 74' ' ' LEU . 2.5 pt -129.57 113.21 26.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.155 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.2 p -61.25 -41.37 96.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.139 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.8 p -110.31 -179.56 3.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.839 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 27.4 mt -85.29 -45.94 11.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.913 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 10.6 t -62.09 -10.31 9.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.128 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -69.25 -65.42 0.71 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.477 ' N ' HG23 ' A' ' 68' ' ' ILE . 0.6 OUTLIER -46.2 173.07 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.405 ' O ' ' O ' ' A' ' 34' ' ' LEU . 93.2 m -69.26 130.26 42.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.154 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -81.48 146.75 30.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.6 ' ND2' ' HG1' ' A' ' 40' ' ' THR . 22.9 t-20 -115.37 68.47 0.71 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.941 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.489 ' C ' ' CD2' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -81.28 14.44 2.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 14.2 t -88.19 -18.1 29.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.15 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.492 ' CG2' ' CB ' ' A' ' 32' ' ' PRO . 9.8 m -84.19 -19.19 9.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.17 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 92.8 mt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.942 179.945 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.407 ' O ' ' CG2' ' A' ' 15' ' ' VAL . 15.4 m . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.916 0.389 . . . . 0.0 111.133 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 62.9 mt -49.17 -20.67 0.63 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -118.56 138.33 52.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.443 ' O ' ' HA ' ' A' ' 22' ' ' MET . 53.6 t -51.46 134.25 33.81 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.639 0.733 . . . . 0.0 110.862 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.418 ' CD ' ' O ' ' A' ' 40' ' ' THR . 54.2 Cg_endo -69.77 0.08 6.16 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.706 2.271 . . . . 0.0 112.366 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 59.4 mt -111.67 -74.79 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.412 ' SG ' ' HB3' ' A' ' 18' ' ' CYS . 9.7 p -73.7 -29.32 62.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.443 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 47.9 mmm 71.71 47.18 0.35 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -119.02 138.74 52.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.899 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 28.6 p -50.0 133.28 22.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.839 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.508 ' CG ' ' HB3' ' A' ' 32' ' ' PRO . 36.9 m-85 -76.07 101.6 5.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.95 136.03 54.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.181 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 23.2 mp0 -76.34 47.15 0.45 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.896 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -133.56 -39.63 0.89 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.861 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -134.36 -41.55 0.8 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.924 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.458 HD23 ' NE2' ' A' ' 44' ' ' GLN . 2.5 mt -121.52 111.14 16.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.7 mmt85 -100.91 130.59 24.84 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.562 0.696 . . . . 0.0 110.933 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.508 ' HB3' ' CG ' ' A' ' 25' ' ' PHE . 53.6 Cg_endo -69.78 127.89 15.21 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.703 2.269 . . . . 0.0 112.302 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.8 mmmt -122.55 143.68 49.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.408 ' O ' ' O ' ' A' ' 75' ' ' THR . 4.8 tp -111.44 131.27 55.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 88.7 mt -93.64 162.94 13.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.568 ' CD2' HG22 ' A' ' 66' ' ' THR . 15.7 m170 -61.99 -7.95 4.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 29.4 p -87.7 -44.72 10.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 137.35 -29.33 2.71 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.523 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 27.6 m170 -65.5 144.18 57.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.894 0.378 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.418 ' O ' ' CD ' ' A' ' 19' ' ' PRO . 30.1 m -108.08 128.14 54.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.146 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.456 HG23 ' N ' ' A' ' 42' ' ' CYS . 9.9 mt -135.64 149.73 28.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.169 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.456 ' N ' HG23 ' A' ' 41' ' ' ILE . 17.5 p -72.0 148.12 46.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.918 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.513 ' HG3' ' N ' ' A' ' 44' ' ' GLN . 0.3 OUTLIER -52.33 -31.89 35.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 -179.942 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.513 ' N ' ' HG3' ' A' ' 43' ' ' ARG . 5.1 tt0 -58.77 -45.87 88.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.426 ' HB2' ' CG2' ' A' ' 41' ' ' ILE . 90.5 m -80.3 -34.01 37.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.428 ' CD2' HD23 ' A' ' 71' ' ' LEU . 6.5 tp -66.22 -36.4 82.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -62.62 -50.14 72.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.89 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -52.45 -38.05 58.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.869 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 36.9 mt -71.39 -54.64 10.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.6 tt -53.81 -43.38 69.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 179.779 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.464 ' HA3' ' CG2' ' A' ' 65' ' ' ILE . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 98.7 t -124.42 120.16 58.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.852 0.358 . . . . 0.0 111.097 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 39.9 ttp180 -81.43 119.12 23.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.42 ' O ' ' HA ' ' A' ' 63' ' ' SER . 41.2 t -77.21 122.67 86.57 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.611 0.719 . . . . 0.0 110.876 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 3.71 2.61 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.682 2.254 . . . . 0.0 112.341 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -106.62 -57.63 2.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.407 ' O ' ' HB3' ' A' ' 63' ' ' SER . 24.7 p -104.91 -24.74 12.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.42 ' HA ' ' O ' ' A' ' 59' ' ' CYS . 8.2 t 74.86 43.09 0.24 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 34.0 mtpt -111.9 108.72 18.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.898 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.464 ' CG2' ' HA3' ' A' ' 56' ' ' GLY . 35.6 mm -52.6 127.95 10.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.145 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.568 HG22 ' CD2' ' A' ' 36' ' ' HIS . 16.2 m -74.12 -28.22 61.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.179 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 62.52 54.6 2.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.472 HG12 ' CG2' ' A' ' 66' ' ' THR . 1.6 pt -132.7 146.21 33.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.123 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.1 p -88.97 -38.92 14.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.101 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.3 t -117.67 168.3 10.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.801 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.428 HD23 ' CD2' ' A' ' 46' ' ' LEU . 10.3 mt -72.91 -29.77 63.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.906 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 8.1 t -76.47 -25.19 54.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.115 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 11.0 mm100 -57.98 -58.67 7.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.916 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.472 ' CA ' HG22 ' A' ' 68' ' ' ILE . 1.4 pp -52.42 173.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.408 ' O ' ' O ' ' A' ' 34' ' ' LEU . 96.9 m -70.53 131.78 44.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.156 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -84.18 148.06 26.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.445 ' ND2' HG21 ' A' ' 79' ' ' THR . 26.1 t-20 -117.26 70.34 0.78 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.488 ' C ' ' CD2' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -86.18 16.04 4.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.953 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.445 HG21 ' ND2' ' A' ' 77' ' ' ASN . 14.9 t -81.05 -34.69 32.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.155 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.476 HG22 ' CB ' ' A' ' 25' ' ' PHE . 14.1 m -69.54 -27.62 34.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.124 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 13.3 mt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 179.969 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 28.9 m . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.922 0.391 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.7 mt -50.54 -21.88 1.72 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.968 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -111.14 145.5 38.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.906 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.447 ' O ' ' HA ' ' A' ' 22' ' ' MET . 53.5 t -56.86 135.88 79.24 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.652 0.739 . . . . 0.0 110.873 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.406 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 53.8 Cg_endo -69.73 -0.85 7.48 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.64 2.227 . . . . 0.0 112.34 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.416 ' CD1' HG22 ' A' ' 41' ' ' ILE . 60.0 mt -112.82 -73.89 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.151 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.3 p -75.92 -29.34 58.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.447 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 8.2 mtp 69.71 44.1 0.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.851 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 24' ' ' SER . 12.2 mt-10 -115.12 124.78 52.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.929 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 23' ' ' GLU . 74.2 p -34.71 122.52 0.53 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.816 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.468 ' CB ' HG23 ' A' ' 80' ' ' VAL . 18.8 m-85 -59.87 106.13 0.46 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.892 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 26.4 p -102.59 132.76 48.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.112 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -69.39 -17.16 63.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -69.69 -55.46 9.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -125.74 -71.31 0.7 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.949 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.402 ' CD2' ' NE2' ' A' ' 44' ' ' GLN . 30.8 mt -65.35 80.97 0.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.917 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.5 mmm-85 -88.49 132.38 39.19 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.654 0.74 . . . . 0.0 110.826 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.482 ' HG3' ' CG2' ' A' ' 80' ' ' VAL . 53.6 Cg_endo -69.78 110.0 2.45 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.676 2.251 . . . . 0.0 112.372 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.7 mmmt -108.93 134.08 52.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.875 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.402 ' O ' ' O ' ' A' ' 75' ' ' THR . 6.6 tp -100.62 123.83 45.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.932 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.465 HD22 ' CD1' ' A' ' 46' ' ' LEU . 89.9 mt -79.13 162.82 25.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.488 ' CG ' HG22 ' A' ' 66' ' ' THR . 23.0 m170 -63.1 -6.4 4.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.811 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.456 ' CB ' ' SG ' ' A' ' 62' ' ' CYS . 30.0 p -89.65 -45.79 9.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.926 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 141.18 -30.18 2.26 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.467 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 30.1 m170 -66.27 148.99 51.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.867 0.365 . . . . 0.0 110.871 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 40.4 m -108.06 137.41 46.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.127 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.484 HG21 ' N ' ' A' ' 42' ' ' CYS . 10.9 mt -145.26 147.13 19.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.088 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.484 ' N ' HG21 ' A' ' 41' ' ' ILE . 17.2 p -70.75 133.97 47.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.44 ' HG3' ' N ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -39.72 -37.22 0.5 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.837 -179.893 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.462 ' HB3' ' SG ' ' A' ' 42' ' ' CYS . 9.2 tt0 -52.79 -54.98 26.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 87.5 m -69.39 -38.88 78.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.466 ' CD2' HD23 ' A' ' 74' ' ' LEU . 5.9 tp -63.69 -32.48 73.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.883 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -69.61 -46.44 66.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.87 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -54.44 -33.45 59.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.427 ' CB ' HG12 ' A' ' 57' ' ' VAL . 79.3 mt -80.93 -50.58 9.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.88 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.406 ' CA ' HG22 ' A' ' 57' ' ' VAL . 3.3 tt -55.25 -39.51 69.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.111 179.801 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.427 HG12 ' CB ' ' A' ' 49' ' ' LEU . 91.4 t -102.03 129.31 53.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.826 0.346 . . . . 0.0 111.163 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 24.9 ttm180 -86.57 123.19 31.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.459 ' O ' ' HA ' ' A' ' 63' ' ' SER . 12.0 t -82.69 120.25 76.14 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.614 0.721 . . . . 0.0 110.881 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 5.25 1.75 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.659 2.239 . . . . 0.0 112.355 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.417 ' CE2' HD11 ' A' ' 41' ' ' ILE . 23.2 m-85 -105.39 -59.09 1.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.93 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.456 ' SG ' ' CB ' ' A' ' 37' ' ' CYS . 24.1 p -103.74 -12.4 17.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.84 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.459 ' HA ' ' O ' ' A' ' 59' ' ' CYS . 5.0 p 65.88 34.77 7.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.45 ' HD3' ' CB ' ' A' ' 37' ' ' CYS . 31.1 mtpt -97.83 120.2 37.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.885 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 38.5 mm -69.25 113.61 5.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.122 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.488 HG22 ' CG ' ' A' ' 36' ' ' HIS . 5.4 m -95.18 98.13 10.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -66.62 91.94 0.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.449 HD11 ' CD2' ' A' ' 74' ' ' LEU . 1.9 pp -155.95 105.61 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 4.6 t -68.65 -34.93 76.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.154 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.3 m -106.32 137.63 43.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.833 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.424 ' O ' ' CD1' ' A' ' 74' ' ' LEU . 22.1 mt -57.56 -19.56 26.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.912 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 9.8 t -80.97 -31.43 34.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.152 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -50.21 -64.66 0.74 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.466 HD23 ' CD2' ' A' ' 46' ' ' LEU . 0.5 OUTLIER -51.93 174.88 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.402 ' O ' ' O ' ' A' ' 34' ' ' LEU . 97.0 m -73.86 138.85 44.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.171 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.19 150.45 21.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -122.17 66.51 0.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.472 ' C ' ' CD2' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -82.62 20.57 1.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.914 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 11.8 t -85.05 -30.52 24.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.154 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.482 ' CG2' ' HG3' ' A' ' 32' ' ' PRO . 11.4 m -75.59 -24.46 17.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.177 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 25.0 mt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.971 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 23.8 m . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.885 0.374 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 67.3 mt -48.46 -22.06 0.66 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.93 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -114.45 153.72 29.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.46 ' O ' ' HA ' ' A' ' 22' ' ' MET . 53.8 t -64.24 136.1 96.61 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.585 0.707 . . . . 0.0 110.919 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -0.33 6.79 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.719 2.279 . . . . 0.0 112.309 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 62.4 mt -111.98 -74.65 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.095 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.414 ' SG ' ' HB3' ' A' ' 18' ' ' CYS . 6.6 p -73.93 -27.77 61.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.46 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 79.8 mmm 68.23 45.54 1.23 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.442 ' HB3' ' CD1' ' A' ' 30' ' ' LEU . 6.5 mt-10 -116.27 136.04 53.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 27.8 m -49.39 130.11 19.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.877 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.474 ' CB ' HG23 ' A' ' 80' ' ' VAL . 31.0 m-85 -70.61 107.07 3.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.916 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.5 t -114.16 145.84 41.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.121 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -85.8 43.03 1.01 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -132.7 -47.75 0.88 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.886 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 44.8 tp60 -127.1 -59.77 1.23 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.442 ' CD1' ' HB3' ' A' ' 23' ' ' GLU . 13.5 mt -91.94 99.98 12.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 53.9 mtm180 -99.73 130.08 27.37 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.621 0.724 . . . . 0.0 110.861 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.482 ' HG3' ' CG2' ' A' ' 80' ' ' VAL . 53.7 Cg_endo -69.75 117.71 5.25 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.734 2.289 . . . . 0.0 112.36 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.6 mmmt -116.35 132.11 56.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.462 ' N ' ' O ' ' A' ' 75' ' ' THR . 4.2 tp -94.41 132.25 39.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.462 HD21 ' CD1' ' A' ' 46' ' ' LEU . 63.4 mt -87.74 162.42 17.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.518 ' CD2' HG21 ' A' ' 66' ' ' THR . 21.8 m170 -63.76 -6.63 5.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.426 ' CB ' ' HD2' ' A' ' 64' ' ' LYS . 30.0 p -91.56 -47.28 7.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 144.73 -30.95 1.8 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.474 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 31.8 m170 -66.04 150.34 48.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.878 0.371 . . . . 0.0 110.835 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.737 ' HG1' ' ND2' ' A' ' 77' ' ' ASN . 89.2 m -111.68 139.52 47.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.093 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.469 ' CG2' ' HB2' ' A' ' 45' ' ' CYS . 13.0 mt -145.71 148.72 17.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.091 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.481 ' SG ' ' HB3' ' A' ' 44' ' ' GLN . 20.8 p -72.35 139.12 47.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.5 ppt_? -40.99 -36.87 0.72 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.481 ' HB3' ' SG ' ' A' ' 42' ' ' CYS . 7.8 tt0 -53.71 -60.97 2.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.882 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.469 ' HB2' ' CG2' ' A' ' 41' ' ' ILE . 60.4 m -60.28 -48.31 82.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.462 ' CD1' HD21 ' A' ' 35' ' ' LEU . 5.4 tp -57.52 -37.31 72.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.44 ' CD ' HD11 ' A' ' 71' ' ' LEU . 4.0 mm-40 -65.01 -52.81 54.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.7 mptt -50.56 -29.23 10.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.92 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 82.4 mt -84.75 -57.22 3.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.5 tt -48.84 -40.63 30.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.805 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 94.1 t -100.82 124.04 54.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.87 0.367 . . . . 0.0 111.095 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 43.6 ttp180 -81.72 115.22 20.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.436 ' O ' ' HA ' ' A' ' 63' ' ' SER . 18.1 t -71.64 120.98 83.11 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.64 0.733 . . . . 0.0 110.916 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 3.68 2.64 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.706 2.271 . . . . 0.0 112.311 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -106.66 -61.43 1.53 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 26.8 p -99.75 -24.64 14.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.436 ' HA ' ' O ' ' A' ' 59' ' ' CYS . 6.1 t 74.95 47.49 0.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.426 ' HD2' ' CB ' ' A' ' 37' ' ' CYS . 34.0 mttm -108.97 115.31 29.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 43.6 mm -62.9 118.98 5.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.125 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.518 HG21 ' CD2' ' A' ' 36' ' ' HIS . 3.4 m -94.5 85.7 4.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.125 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? -55.02 89.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.486 HG22 ' CA ' ' A' ' 74' ' ' LEU . 2.1 pt -151.63 107.72 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 8.9 t -59.35 -35.38 73.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.122 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 48.3 m -115.09 164.85 13.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.44 HD11 ' CD ' ' A' ' 47' ' ' GLU . 18.0 mt -75.41 -26.92 58.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.922 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 7.9 t -78.41 -22.25 48.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.17 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 19.0 mm100 -59.68 -54.55 45.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.486 ' CA ' HG22 ' A' ' 68' ' ' ILE . 1.7 pp -54.02 -175.03 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.462 ' O ' ' N ' ' A' ' 34' ' ' LEU . 82.0 m -81.29 133.12 35.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.143 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -79.98 154.44 28.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.737 ' ND2' ' HG1' ' A' ' 40' ' ' THR . 27.4 t-20 -128.43 67.78 1.37 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.534 ' C ' ' CD2' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -84.8 21.07 1.64 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 179.928 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 12.4 t -83.37 -32.62 26.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.19 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.482 ' CG2' ' HG3' ' A' ' 32' ' ' PRO . 10.2 m -77.41 -29.69 16.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.07 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 19.7 mt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 -179.985 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 17' ' ' GLU . 33.1 m . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.859 0.361 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.3 mt -41.31 -24.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 15' ' ' VAL . 3.6 mt-10 -109.26 132.96 53.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.458 ' O ' ' HA ' ' A' ' 22' ' ' MET . 52.6 t -49.18 136.2 15.42 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.653 0.74 . . . . 0.0 110.895 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.504 ' CD ' ' O ' ' A' ' 40' ' ' THR . 53.8 Cg_endo -69.79 1.2 4.67 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.722 2.281 . . . . 0.0 112.377 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 26.4 mt -115.12 -74.47 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.111 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 8.8 p -74.69 -23.86 58.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.458 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 6.7 mmt 62.76 45.45 5.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.833 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 24' ' ' SER . 8.3 mt-10 -115.34 124.93 52.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.921 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 23' ' ' GLU . 7.4 t -37.31 130.35 0.92 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.838 -179.775 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -69.85 101.45 1.74 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 32.1 p -84.12 -174.36 5.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.134 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -94.78 -64.5 1.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -84.89 32.75 0.53 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.466 ' O ' ' C ' ' A' ' 30' ' ' LEU . 2.6 tp60 -177.04 163.38 2.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.466 ' C ' ' O ' ' A' ' 29' ' ' GLN . 27.2 mt 32.84 42.33 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 48.0 mtm180 -54.11 128.17 56.56 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.569 0.7 . . . . 0.0 110.887 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.495 ' HG3' ' CG2' ' A' ' 80' ' ' VAL . 53.2 Cg_endo -69.78 117.74 5.26 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.672 2.248 . . . . 0.0 112.315 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.4 mmmt -117.25 137.28 52.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.887 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.4 tp -103.25 125.35 49.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 94.8 mt -82.8 162.58 21.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.953 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.561 ' CD2' HG23 ' A' ' 66' ' ' THR . 23.8 m170 -60.34 -9.32 3.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.822 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 28.2 p -88.21 -46.6 9.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 140.21 -28.66 2.46 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.504 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 23.2 m170 -62.99 148.32 48.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.869 0.366 . . . . 0.0 110.896 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.504 ' O ' ' CD ' ' A' ' 19' ' ' PRO . 62.5 m -111.48 126.94 55.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.167 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.509 ' CG2' ' HB2' ' A' ' 45' ' ' CYS . 60.3 mt -135.45 150.03 28.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.117 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.442 ' SG ' ' HB3' ' A' ' 44' ' ' GLN . 19.5 p -73.88 135.56 43.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.422 ' HG3' ' N ' ' A' ' 44' ' ' GLN . 0.1 OUTLIER -38.24 -37.51 0.29 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.82 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.442 ' HB3' ' SG ' ' A' ' 42' ' ' CYS . 6.2 tt0 -53.87 -61.01 2.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.509 ' HB2' ' CG2' ' A' ' 41' ' ' ILE . 56.3 m -59.84 -44.98 93.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.7 tp -59.51 -35.84 74.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.415 ' CD ' HD13 ' A' ' 71' ' ' LEU . 4.6 mm-40 -63.35 -51.33 66.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.8 mptt -49.75 -34.93 20.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.899 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 96.3 mt -80.81 -53.26 6.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 51' ' ' ALA . 1.4 tt -51.31 -46.95 62.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 50' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.079 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.465 ' HA3' ' CG2' ' A' ' 65' ' ' ILE . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 48.5 t -91.32 116.27 32.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.88 0.371 . . . . 0.0 111.124 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 68.9 ttt180 -77.34 113.77 15.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.444 ' O ' ' HA ' ' A' ' 63' ' ' SER . 42.4 t -67.24 123.53 86.68 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.702 0.763 . . . . 0.0 110.862 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 4.36 2.25 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.669 2.246 . . . . 0.0 112.356 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.483 ' CZ ' ' HB2' ' A' ' 19' ' ' PRO . 33.5 m-85 -107.17 -54.89 2.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.853 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 26.4 p -111.6 -16.33 13.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.88 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.444 ' HA ' ' O ' ' A' ' 59' ' ' CYS . 74.3 m 62.25 47.83 5.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 65' ' ' ILE . 89.5 mttt -109.42 91.16 3.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.465 ' CG2' ' HA3' ' A' ' 56' ' ' GLY . 46.0 mm -33.67 125.49 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.129 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.561 HG23 ' CD2' ' A' ' 36' ' ' HIS . 14.8 m -79.2 -29.53 42.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.143 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.434 ' HB3' ' NH1' ' A' ' 67' ' ' ARG . 3.5 mmm180 64.01 48.94 2.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.505 ' CD1' ' CD2' ' A' ' 74' ' ' LEU . 2.5 pt -128.39 132.36 68.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.122 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.457 HG23 ' N ' ' A' ' 70' ' ' SER . 14.7 t -85.35 -29.97 24.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.18 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.457 ' N ' HG23 ' A' ' 69' ' ' THR . 18.2 m -116.53 153.4 32.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.826 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.415 HD13 ' CD ' ' A' ' 47' ' ' GLU . 56.2 mt -63.56 -28.23 69.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.901 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 8.9 t -80.85 -30.77 35.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.155 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 -47.09 -56.25 6.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.505 ' CD2' ' CD1' ' A' ' 68' ' ' ILE . 2.8 pp -53.06 -174.26 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 90.8 m -84.22 137.02 33.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.16 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -84.71 152.42 23.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.481 ' ND2' ' HG1' ' A' ' 40' ' ' THR . 10.0 t30 -129.75 62.27 1.55 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.485 ' C ' ' CD2' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -75.91 5.82 5.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.407 HG21 ' N ' ' A' ' 80' ' ' VAL . 8.3 t -66.87 -40.49 87.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.153 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.495 ' CG2' ' HG3' ' A' ' 32' ' ' PRO . 19.8 m -67.13 -30.38 49.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.142 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 96.9 mt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.932 179.985 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 33.5 m . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.844 0.354 . . . . 0.0 111.084 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 18.8 mt -53.13 -16.61 1.22 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -115.02 159.45 20.77 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.452 ' O ' ' HA ' ' A' ' 22' ' ' MET . 51.0 t -70.41 135.94 86.41 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.591 0.71 . . . . 0.0 110.894 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.491 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 53.8 Cg_endo -69.7 -0.05 6.31 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.7 2.267 . . . . 0.0 112.345 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 27.3 mt -111.61 -72.55 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.133 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.8 p -77.87 -29.52 50.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.893 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.452 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 10.2 mtp 71.65 49.89 0.27 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -119.08 140.91 49.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.855 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.6 p -51.32 132.29 28.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.893 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.492 ' CG ' ' HB3' ' A' ' 32' ' ' PRO . 21.6 m-85 -74.02 103.22 4.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.893 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.404 ' O ' ' O ' ' A' ' 30' ' ' LEU . 1.3 t -124.69 138.26 54.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.15 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 64.0 mt-10 -79.74 45.59 0.71 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -134.27 -38.48 0.85 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 -133.41 -37.95 0.94 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.917 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.462 HD22 ' NE2' ' A' ' 44' ' ' GLN . 1.8 mt -130.27 105.28 7.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 22.6 mtm180 -95.8 131.34 29.42 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.608 0.718 . . . . 0.0 110.875 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.492 ' HB3' ' CG ' ' A' ' 25' ' ' PHE . 53.6 Cg_endo -69.76 122.57 9.25 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.713 2.275 . . . . 0.0 112.336 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.5 mmmm -122.31 135.26 54.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.894 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.3 tp -99.74 130.54 45.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 77.1 mt -87.63 162.25 17.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.592 ' CE1' ' O ' ' A' ' 66' ' ' THR . 22.1 m170 -60.37 -9.67 3.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 28.5 p -88.81 -46.92 8.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 141.46 -29.55 2.26 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.437 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 25.4 m170 -63.28 139.71 58.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.929 0.395 . . . . 0.0 110.841 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.428 HG23 ' CG ' ' A' ' 77' ' ' ASN . 15.6 m -106.09 118.17 35.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.154 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.5 HG22 ' N ' ' A' ' 42' ' ' CYS . 18.9 mt -127.41 152.21 35.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.097 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.5 ' N ' HG22 ' A' ' 41' ' ' ILE . 17.5 p -71.87 140.22 49.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.858 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.553 ' HG3' ' N ' ' A' ' 44' ' ' GLN . 4.8 ptt180 -44.3 -37.53 3.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.553 ' N ' ' HG3' ' A' ' 43' ' ' ARG . 7.5 tt0 -52.08 -55.25 21.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 54.4 m -65.75 -38.03 87.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.3 tp -62.22 -40.85 97.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -62.01 -50.99 69.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -48.0 -34.9 10.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 56.8 mt -82.0 -57.56 3.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.0 tt -47.93 -27.9 2.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 179.767 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.464 -0.255 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 59.4 t -143.49 108.6 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.831 0.348 . . . . 0.0 111.177 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 59.1 ttp85 -70.85 110.41 5.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.928 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.461 ' O ' ' HA ' ' A' ' 63' ' ' SER . 47.0 t -64.85 125.34 88.78 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.657 0.741 . . . . 0.0 110.849 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 3.99 2.44 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.672 2.248 . . . . 0.0 112.367 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.491 ' CZ ' ' HB2' ' A' ' 19' ' ' PRO . 36.3 m-85 -109.35 -57.64 2.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 26.5 p -107.57 -15.63 14.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.461 ' HA ' ' O ' ' A' ' 59' ' ' CYS . 16.8 m 59.41 51.27 6.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.826 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.456 ' O ' ' C ' ' A' ' 65' ' ' ILE . 88.3 mttt -114.48 93.03 4.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.456 ' C ' ' O ' ' A' ' 64' ' ' LYS . 46.5 mm -31.73 123.66 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.111 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.592 ' O ' ' CE1' ' A' ' 36' ' ' HIS . 3.0 m -72.27 -29.86 64.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.135 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 6.8 mmm180 63.81 55.01 1.7 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.839 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.518 ' CD1' ' CD2' ' A' ' 74' ' ' LEU . 1.6 pt -137.25 121.63 23.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.142 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.1 p -67.45 -36.79 81.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.137 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.2 t -111.25 167.34 10.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 13.5 mt -75.33 -25.17 57.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.929 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 8.8 t -85.18 -30.76 23.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.065 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -43.81 -52.54 6.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.933 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.518 ' CD2' ' CD1' ' A' ' 68' ' ' ILE . 3.3 pp -53.56 -174.86 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.984 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 93.0 m -83.35 136.48 34.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.153 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -80.44 145.94 31.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.887 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.428 ' CG ' HG23 ' A' ' 40' ' ' THR . 25.0 t-20 -117.14 67.73 0.74 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.476 ' C ' ' CD2' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -81.35 12.76 3.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.937 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.8 t -75.85 -33.59 60.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.122 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.468 HG22 ' CB ' ' A' ' 25' ' ' PHE . 16.8 m -76.22 -29.74 19.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.121 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 22.6 mt . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 179.945 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 33.8 m . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.87 0.367 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 26.5 mt -52.71 -26.06 12.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.908 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' A' ' 24' ' ' SER . 1.9 mp0 -105.21 175.27 5.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.922 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.461 ' O ' ' HA ' ' A' ' 22' ' ' MET . 45.5 t -75.77 136.86 70.24 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.684 0.754 . . . . 0.0 110.852 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.405 ' HD2' ' SG ' ' A' ' 18' ' ' CYS . 53.8 Cg_endo -69.76 1.79 4.12 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.666 2.244 . . . . 0.0 112.312 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 52.8 mt -116.02 -67.51 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.157 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.412 ' O ' ' HB2' ' A' ' 22' ' ' MET . 11.3 p -85.32 -24.72 27.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.461 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 7.9 mmt 65.97 52.0 1.27 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.47 ' HB3' ' CD1' ' A' ' 30' ' ' LEU . 35.0 mm-40 -115.5 136.76 52.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.866 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.401 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 29.3 p -47.04 123.86 5.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.822 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.5 ' CG ' ' HB3' ' A' ' 32' ' ' PRO . 15.8 m-85 -68.69 103.09 1.64 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.904 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.5 t -124.28 139.3 54.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.147 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -80.27 43.92 0.66 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -131.13 -41.33 1.12 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -134.76 -34.0 0.92 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.47 ' CD1' ' HB3' ' A' ' 23' ' ' GLU . 1.4 mt -128.4 98.63 5.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.909 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 19.5 mtm180 -94.6 128.77 38.66 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.605 0.717 . . . . 0.0 110.833 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.5 ' HB3' ' CG ' ' A' ' 25' ' ' PHE . 53.9 Cg_endo -69.77 114.68 3.78 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.643 2.228 . . . . 0.0 112.362 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.421 ' HB3' ' CD1' ' A' ' 74' ' ' LEU . 2.5 mmmm -114.53 132.31 56.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.419 ' N ' ' O ' ' A' ' 75' ' ' THR . 6.3 tp -94.87 133.94 38.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 84.3 mt -90.49 162.29 15.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.883 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.551 ' CD2' HG22 ' A' ' 66' ' ' THR . 16.2 m170 -62.11 -7.63 4.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 28.8 p -89.48 -46.92 8.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.863 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 141.93 -28.95 2.24 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.533 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 29.6 m170 -65.94 146.41 54.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.896 0.379 . . . . 0.0 110.817 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.458 HG21 ' CB ' ' A' ' 77' ' ' ASN . 23.2 m -112.29 118.07 34.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.163 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.504 HG21 ' N ' ' A' ' 42' ' ' CYS . 55.8 mt -125.57 151.24 31.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.167 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.504 ' N ' HG21 ' A' ' 41' ' ' ILE . 17.8 p -71.86 143.66 49.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.91 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.435 ' HD2' ' C ' ' A' ' 43' ' ' ARG . 0.4 OUTLIER -45.03 -39.18 5.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.497 ' HB3' ' SG ' ' A' ' 42' ' ' CYS . 2.3 tt0 -51.47 -62.17 1.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.478 ' HB2' ' CG2' ' A' ' 41' ' ' ILE . 56.9 m -59.13 -44.17 92.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.6 tp -59.71 -35.33 74.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.415 ' CD ' HD11 ' A' ' 71' ' ' LEU . 4.1 mm-40 -63.55 -52.05 62.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.4 mptt -50.27 -33.97 21.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 96.1 mt -81.4 -54.77 5.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.896 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.3 tt -50.71 -47.4 59.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.922 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.114 179.81 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 84.8 t -123.65 104.08 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.844 0.354 . . . . 0.0 111.153 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 21.0 ttp-105 -71.08 113.58 8.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.852 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.477 ' O ' ' HA ' ' A' ' 63' ' ' SER . 21.8 t -68.32 124.93 90.97 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.676 0.751 . . . . 0.0 110.893 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 5.19 1.8 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.648 2.232 . . . . 0.0 112.358 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -109.69 -58.29 2.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.849 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 19.5 p -103.61 -12.96 16.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.477 ' HA ' ' O ' ' A' ' 59' ' ' CYS . 3.6 m 58.74 44.38 17.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.795 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 51.0 mttp -114.14 107.86 16.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.881 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 31.6 mm -49.83 133.66 8.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.153 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.551 HG22 ' CD2' ' A' ' 36' ' ' HIS . 10.4 m -83.28 -28.03 29.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.122 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 63.17 53.71 2.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.861 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.504 ' CD1' ' CD2' ' A' ' 74' ' ' LEU . 1.0 OUTLIER -130.94 128.94 63.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.155 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.446 HG22 ' N ' ' A' ' 70' ' ' SER . 8.9 t -79.54 -29.87 41.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.111 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.446 ' N ' HG22 ' A' ' 69' ' ' THR . 8.9 t -114.24 155.34 26.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.863 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.415 HD11 ' CD ' ' A' ' 47' ' ' GLU . 45.8 mt -68.4 -31.39 70.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.9 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 8.6 t -81.24 -24.77 37.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.152 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -49.42 -55.09 14.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.937 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.504 ' CD2' ' CD1' ' A' ' 68' ' ' ILE . 2.5 pp -52.58 -174.85 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.419 ' O ' ' N ' ' A' ' 34' ' ' LEU . 89.1 m -80.76 142.37 33.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.17 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -89.46 149.86 22.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.458 ' CB ' HG21 ' A' ' 40' ' ' THR . 27.1 t-20 -121.81 66.37 0.91 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.885 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.531 ' C ' ' CD2' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -80.41 14.23 2.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.953 179.936 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 13.9 t -76.46 -34.89 58.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.148 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.467 HG22 ' CB ' ' A' ' 25' ' ' PHE . 12.1 m -72.68 -36.31 52.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.149 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 14.3 mt . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 179.983 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.445 ' O ' ' N ' ' A' ' 17' ' ' GLU . 35.0 m . . . . . 0 C--O 1.233 0.19 0 CA-C-O 120.81 0.338 . . . . 0.0 111.124 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.468 ' O ' ' CD2' ' A' ' 25' ' ' PHE . 24.3 mt -41.06 -24.86 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 15' ' ' VAL . 3.3 mt-10 -103.01 166.6 10.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.457 ' O ' ' HA ' ' A' ' 22' ' ' MET . 52.3 t -80.4 136.19 52.97 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.619 0.723 . . . . 0.0 110.891 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.518 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 53.9 Cg_endo -69.76 0.66 5.32 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.683 2.256 . . . . 0.0 112.361 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 49.0 mt -114.44 -73.33 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.172 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.402 ' O ' ' HB2' ' A' ' 22' ' ' MET . 18.4 p -77.72 -25.61 49.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.874 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.457 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 20.3 mmt 64.66 45.05 3.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.478 ' HB3' ' CD1' ' A' ' 30' ' ' LEU . 27.8 mt-10 -117.32 122.5 44.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.839 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 23' ' ' GLU . 8.3 t -33.44 129.45 0.28 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 -179.803 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.483 ' CG ' ' HB3' ' A' ' 32' ' ' PRO . 23.8 m-85 -68.14 100.25 0.99 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.869 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 43.1 p -97.73 138.57 34.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.112 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -82.95 38.51 0.59 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -134.47 -48.51 0.77 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.868 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 62.1 tp60 -126.05 -48.84 1.6 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.478 ' CD1' ' HB3' ' A' ' 23' ' ' GLU . 27.7 mt -96.73 73.41 2.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.911 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 84.6 mtm-85 -76.34 127.2 85.27 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.599 0.714 . . . . 0.0 110.877 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.5 ' CB ' HG21 ' A' ' 80' ' ' VAL . 53.5 Cg_endo -69.78 119.99 6.85 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.714 2.276 . . . . 0.0 112.301 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.3 mmmt -117.82 143.64 46.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.889 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.4 tp -111.2 122.45 47.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.478 HD23 ' CD1' ' A' ' 46' ' ' LEU . 95.4 mt -77.02 162.31 27.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.563 ' CD2' HG22 ' A' ' 66' ' ' THR . 21.3 m170 -62.38 -6.66 3.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.837 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.472 ' CB ' ' HD3' ' A' ' 64' ' ' LYS . 28.8 p -89.41 -47.71 7.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 143.28 -29.26 2.05 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.514 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 27.9 m170 -64.66 146.75 54.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.838 0.351 . . . . 0.0 110.843 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.463 HG23 ' ND2' ' A' ' 77' ' ' ASN . 99.1 m -108.98 131.72 54.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.142 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.494 HG22 ' N ' ' A' ' 42' ' ' CYS . 52.2 mt -140.57 150.11 21.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.16 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.494 ' N ' HG22 ' A' ' 41' ' ' ILE . 20.4 p -72.19 142.2 49.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.935 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.7 -33.0 3.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.48 ' HB3' ' SG ' ' A' ' 42' ' ' CYS . 1.1 tt0 -56.42 -56.99 14.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.468 ' HB2' ' CG2' ' A' ' 41' ' ' ILE . 56.4 m -63.5 -43.55 96.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.478 ' CD1' HD23 ' A' ' 35' ' ' LEU . 5.8 tp -59.34 -45.07 92.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.949 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.416 ' CD ' HD12 ' A' ' 71' ' ' LEU . 4.0 mm-40 -54.52 -46.33 73.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -55.1 -34.03 63.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.878 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 94.3 mt -81.27 -53.37 6.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.916 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.464 ' O ' ' C ' ' A' ' 51' ' ' ALA . 1.8 tt -53.7 -45.41 70.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.464 ' C ' ' O ' ' A' ' 50' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.095 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 57.5 t -92.63 135.15 28.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.819 0.343 . . . . 0.0 111.161 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 27.3 ttp180 -91.99 114.56 27.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.457 ' O ' ' HA ' ' A' ' 63' ' ' SER . 35.7 t -64.97 126.18 90.65 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.615 0.721 . . . . 0.0 110.859 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 3.24 2.91 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.689 2.26 . . . . 0.0 112.316 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.518 ' CZ ' ' HB2' ' A' ' 19' ' ' PRO . 30.2 m-85 -110.83 -64.36 1.28 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 27.3 p -97.57 -22.39 16.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.457 ' HA ' ' O ' ' A' ' 59' ' ' CYS . 16.4 m 68.26 46.2 1.14 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.472 ' HD3' ' CB ' ' A' ' 37' ' ' CYS . 25.0 mtpp -103.59 91.31 3.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.87 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.429 ' C ' ' O ' ' A' ' 64' ' ' LYS . 44.8 mm -35.68 125.9 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.136 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.563 HG22 ' CD2' ' A' ' 36' ' ' HIS . 4.7 m -103.73 84.31 2.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.155 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 3.5 mpp_? -51.64 86.34 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.495 ' N ' ' O ' ' A' ' 66' ' ' THR . 1.6 pt -145.31 108.36 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.134 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 6.7 t -64.37 -35.18 80.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.17 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 25.4 m -111.96 161.23 16.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.857 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.416 HD12 ' CD ' ' A' ' 47' ' ' GLU . 65.9 mt -70.25 -26.05 63.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.95 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 8.9 t -84.24 -24.96 29.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.191 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -49.71 -51.84 35.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.499 HD13 ' C ' ' A' ' 74' ' ' LEU . 2.3 pp -52.65 -173.41 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 93.3 m -86.24 121.43 28.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.193 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -64.34 142.76 58.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.871 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.463 ' ND2' HG23 ' A' ' 40' ' ' THR . 3.4 t30 -121.6 68.75 0.91 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.426 ' C ' ' CD2' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -82.58 -8.99 59.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.925 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.422 ' N ' ' CD2' ' A' ' 78' ' ' LEU . 8.7 t -49.9 -42.93 49.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.123 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.5 HG21 ' CB ' ' A' ' 32' ' ' PRO . 31.5 m -67.34 -33.12 60.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.117 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 89.1 mt . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 179.999 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.381 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.7 t -153.67 112.75 3.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.874 0.369 . . . . 0.0 110.891 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.8 p -171.65 164.53 6.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.886 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.45 89.5 0.38 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.502 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.4 m -158.06 169.05 25.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.891 0.377 . . . . 0.0 110.874 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.2 p -92.04 141.21 28.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.814 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.34 -152.93 18.45 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.473 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 38.13 41.61 0.41 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.824 0.345 . . . . 0.0 110.857 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.2 tp -125.72 107.13 10.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.929 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -141.68 107.55 5.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -124.35 -42.84 2.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.107 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.0 mp -55.39 130.89 44.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 19.5 ptt180 -103.95 -44.41 5.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.833 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 16.0 mp0 -47.7 164.8 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.471 ' O ' ' N ' ' A' ' 17' ' ' GLU . 34.4 m -107.33 34.73 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.064 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.473 ' O ' ' CD2' ' A' ' 25' ' ' PHE . 21.3 mt -38.31 -28.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 15' ' ' VAL . 3.2 mt-10 -104.37 161.72 13.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.454 ' O ' ' HA ' ' A' ' 22' ' ' MET . 52.4 t -72.89 135.1 80.75 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.652 0.739 . . . . 0.0 110.881 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -0.99 7.73 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.671 2.248 . . . . 0.0 112.328 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 62.5 mt -109.6 -74.48 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.136 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.417 ' SG ' ' HB3' ' A' ' 18' ' ' CYS . 5.2 p -73.83 -28.8 61.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.838 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.454 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 10.1 mtp 69.2 44.92 0.92 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -119.19 132.15 55.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.863 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.416 ' O ' ' CG2' ' A' ' 26' ' ' THR . 1.5 t -44.01 122.47 2.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.823 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.518 ' CG ' ' HB3' ' A' ' 32' ' ' PRO . 14.4 m-85 -56.82 101.26 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.918 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.416 ' CG2' ' O ' ' A' ' 24' ' ' SER . 1.6 p -109.99 112.4 24.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.168 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 28' ' ' GLU . 17.4 mt-10 -47.9 -49.3 30.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 27' ' ' GLU . 7.6 pt-20 -35.57 -48.42 0.51 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.893 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.403 ' C ' ' NE2' ' A' ' 29' ' ' GLN . 0.8 OUTLIER -130.2 -72.04 0.58 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.924 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.419 HD21 ' NE2' ' A' ' 44' ' ' GLN . 15.3 mt -74.12 93.83 2.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 25.0 mtp180 -92.56 128.47 44.22 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.633 0.73 . . . . 0.0 110.857 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.518 ' HB3' ' CG ' ' A' ' 25' ' ' PHE . 53.7 Cg_endo -69.81 119.49 6.42 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.697 2.265 . . . . 0.0 112.297 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.8 mmmt -119.34 141.17 49.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.404 ' CD1' ' O ' ' A' ' 38' ' ' GLY . 6.7 tp -108.05 126.19 52.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.966 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.45 HD23 ' CD1' ' A' ' 46' ' ' LEU . 96.0 mt -81.55 162.58 23.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.566 ' CD2' HG21 ' A' ' 66' ' ' THR . 19.3 m170 -60.25 -8.78 2.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 29.0 p -88.57 -46.48 9.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.404 ' O ' ' CD1' ' A' ' 34' ' ' LEU . . . 140.89 -29.8 2.31 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.474 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 30.4 m170 -63.49 145.11 56.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.853 0.359 . . . . 0.0 110.84 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.416 HG23 ' ND2' ' A' ' 77' ' ' ASN . 37.2 m -107.72 132.11 53.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.474 HG22 ' N ' ' A' ' 42' ' ' CYS . 9.7 mt -140.87 148.17 22.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.114 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.474 ' N ' HG22 ' A' ' 41' ' ' ILE . 17.0 p -71.47 133.52 45.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.419 ' HD2' ' N ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -38.88 -36.4 0.27 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.444 ' HB3' ' SG ' ' A' ' 42' ' ' CYS . 3.3 tt0 -52.9 -56.42 16.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 59.9 m -65.14 -42.3 93.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.45 ' CD1' HD23 ' A' ' 35' ' ' LEU . 5.6 tp -61.98 -33.94 75.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.427 ' CD ' HD13 ' A' ' 71' ' ' LEU . 4.2 mm-40 -63.96 -50.0 70.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -51.66 -36.39 46.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.953 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 92.6 mt -78.64 -53.21 7.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 51' ' ' ALA . 2.3 tt -51.92 -46.7 64.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 50' ' ' LEU . . . -34.48 -61.64 0.38 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.093 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 50.4 m -67.77 -64.29 0.89 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.9 p -42.89 157.65 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.83 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 13.0 tt -134.63 -36.88 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.084 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 55.2 m-20 -105.59 42.1 1.29 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 114.92 153.49 10.5 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.508 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 97.6 t -93.89 131.45 40.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.766 0.317 . . . . 0.0 111.154 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 28.3 ttp180 -87.9 115.37 25.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.445 ' O ' ' HA ' ' A' ' 63' ' ' SER . 42.7 t -68.17 124.94 90.89 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.668 0.747 . . . . 0.0 110.895 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 3.66 2.67 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.672 2.248 . . . . 0.0 112.322 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -106.58 -62.32 1.41 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 24.9 p -102.43 -23.75 13.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.827 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.445 ' HA ' ' O ' ' A' ' 59' ' ' CYS . 3.7 t 74.98 43.43 0.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 27.9 mttm -102.1 94.22 5.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.879 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 33.5 mm -41.11 126.14 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.127 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.566 HG21 ' CD2' ' A' ' 36' ' ' HIS . 1.2 m -103.01 84.41 2.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.116 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 22.5 mmt85 -52.86 87.21 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.488 HG21 ' N ' ' A' ' 74' ' ' LEU . 1.7 pt -149.72 116.92 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.112 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 15.2 t -72.73 -30.95 64.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.136 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.2 t -113.76 157.93 21.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.427 HD13 ' CD ' ' A' ' 47' ' ' GLU . 65.7 mt -68.79 -26.42 65.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.937 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 10.9 t -82.95 -24.41 33.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.139 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -50.71 -55.52 16.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.873 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.488 ' N ' HG21 ' A' ' 68' ' ' ILE . 2.2 pp -51.52 -175.1 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.918 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 58.0 m -83.26 126.28 32.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.151 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -68.72 151.38 46.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.818 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.469 ' ND2' HG23 ' A' ' 79' ' ' THR . 3.0 t30 -125.9 68.4 1.18 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.947 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.432 ' C ' HD21 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -81.3 -5.01 57.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.97 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.469 HG23 ' ND2' ' A' ' 77' ' ' ASN . 9.9 t -56.63 -39.92 74.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.162 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.481 HG22 ' CB ' ' A' ' 32' ' ' PRO . 21.2 m -67.13 -32.26 56.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.167 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 40.1 mt -78.21 -34.33 49.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.878 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 19.8 ttpp -55.81 156.42 5.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 25.3 t -66.58 111.88 3.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.818 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 65.54 -175.73 15.67 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.491 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 155.68 65.15 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.694 2.263 . . . . 0.0 112.342 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 53.5 p -91.09 -42.88 10.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 32.5 m -129.62 130.04 45.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.842 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 CA-C-O 119.139 -0.812 . . . . 0.0 112.444 -179.972 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.0 t -79.35 136.52 37.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.873 0.368 . . . . 0.0 110.836 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.4 p -137.1 168.92 18.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.835 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.38 131.88 10.79 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.503 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.1 m -100.38 175.81 5.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.917 0.389 . . . . 0.0 110.835 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.7 m -38.8 137.61 0.62 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.823 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.53 121.93 2.43 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.523 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -95.12 102.04 13.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.846 0.355 . . . . 0.0 110.898 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -142.17 127.89 19.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -160.21 115.89 2.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.87 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -116.8 -53.93 2.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.128 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -83.35 128.67 34.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.7 ptm85 -109.53 42.11 1.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -112.23 166.9 10.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 33.7 m -104.97 38.46 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 29.4 mt -44.22 -23.06 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -107.81 150.62 26.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.917 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.44 ' O ' ' HA ' ' A' ' 22' ' ' MET . 52.0 t -67.29 135.09 93.33 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.659 0.743 . . . . 0.0 110.841 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.547 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 54.1 Cg_endo -69.78 -0.42 6.91 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.675 2.25 . . . . 0.0 112.359 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 50.0 mt -111.45 -75.42 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.142 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.405 ' SG ' ' HB3' ' A' ' 18' ' ' CYS . 8.0 p -73.16 -29.57 62.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.44 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 79.3 mmm 69.91 40.04 1.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.471 ' HB3' ' CD1' ' A' ' 30' ' ' LEU . 29.9 mt-10 -116.73 124.07 48.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 23' ' ' GLU . 5.9 t -35.11 133.33 0.32 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.848 -179.788 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.426 ' CG ' ' HB3' ' A' ' 32' ' ' PRO . 36.3 m-85 -70.67 108.44 4.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.896 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.416 ' C ' ' N ' ' A' ' 28' ' ' GLU . 12.6 p -111.63 109.67 19.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.155 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -45.04 -20.95 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.416 ' N ' ' C ' ' A' ' 26' ' ' THR . 20.9 tt0 -67.12 -47.06 72.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.913 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -128.93 -76.38 0.56 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.909 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.471 ' CD1' ' HB3' ' A' ' 23' ' ' GLU . 59.8 mt -65.42 75.6 0.06 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.927 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -72.85 121.29 84.64 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.591 0.71 . . . . 0.0 110.879 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.487 ' CB ' HG21 ' A' ' 80' ' ' VAL . 53.3 Cg_endo -69.81 107.6 1.9 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.669 2.246 . . . . 0.0 112.327 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -110.9 131.98 54.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 75' ' ' THR . 5.9 tp -94.72 124.5 38.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.9 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 47.6 mt -79.0 162.3 26.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.961 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 27.1 m170 -61.68 -8.25 4.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.506 ' CB ' ' SG ' ' A' ' 62' ' ' CYS . 24.3 p -89.38 -45.91 9.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 140.08 -23.68 2.73 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.519 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.415 ' ND1' ' HB2' ' A' ' 61' ' ' PHE . 25.2 m170 -68.41 144.28 54.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.901 0.381 . . . . 0.0 110.838 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.506 ' CG2' ' ND2' ' A' ' 77' ' ' ASN . 74.9 m -108.49 118.19 36.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.15 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.484 HG23 ' N ' ' A' ' 42' ' ' CYS . 53.9 mt -127.51 150.51 33.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.1 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.484 ' N ' HG23 ' A' ' 41' ' ' ILE . 17.5 p -72.33 138.64 47.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -44.94 -32.78 1.74 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.445 ' HB3' ' SG ' ' A' ' 42' ' ' CYS . 5.5 tt0 -56.75 -51.32 69.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.448 ' HB2' ' CG2' ' A' ' 41' ' ' ILE . 56.6 m -70.71 -37.55 73.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.1 tp -66.6 -34.14 77.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -65.03 -48.49 73.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.48 -36.5 61.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.921 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 72.9 mt -77.42 -52.41 9.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.91 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.421 ' O ' ' C ' ' A' ' 51' ' ' ALA . 1.2 tt -54.92 -39.66 69.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.952 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 50' ' ' LEU . . . -34.7 -58.05 0.51 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.1 t -73.18 -70.6 0.35 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 18.6 m -63.91 120.54 12.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.6 tt -96.1 -39.0 8.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.106 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -58.8 -35.46 72.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -170.47 -158.97 15.28 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.474 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 60.5 t -134.84 116.72 21.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.828 0.347 . . . . 0.0 111.112 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.453 ' CZ ' ' HB3' ' A' ' 58' ' ' ARG . 19.6 ttp-105 -78.13 117.51 19.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.82 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.48 ' O ' ' HA ' ' A' ' 63' ' ' SER . 36.5 t -73.89 125.67 90.1 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.647 0.736 . . . . 0.0 110.883 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 4.38 2.2 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.666 2.244 . . . . 0.0 112.34 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.547 ' CZ ' ' HB2' ' A' ' 19' ' ' PRO . 29.7 m-85 -109.53 -55.97 2.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.506 ' SG ' ' CB ' ' A' ' 37' ' ' CYS . 26.3 p -111.26 -8.95 14.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.857 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.48 ' HA ' ' O ' ' A' ' 59' ' ' CYS . 74.9 m 52.3 51.36 16.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 71.7 mttt -113.09 97.2 6.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.922 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 44.2 mm -40.95 124.29 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.126 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.47 ' CG2' HG12 ' A' ' 68' ' ' ILE . 5.4 m -76.99 -30.6 56.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.175 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 5.5 mmt-85 64.03 54.69 1.65 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.924 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.477 HG22 ' N ' ' A' ' 74' ' ' LEU . 1.1 pt -133.25 118.75 33.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.103 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 9.7 t -63.95 -39.79 94.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.196 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 45.6 m -107.05 179.68 4.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 19.9 mt -89.21 -40.59 12.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 8.0 t -71.24 -12.79 61.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.103 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -64.04 -57.09 10.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.936 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.477 ' N ' HG22 ' A' ' 68' ' ' ILE . 0.5 OUTLIER -52.45 179.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 34' ' ' LEU . 21.4 m -74.4 131.33 40.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.14 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -78.96 147.83 32.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.506 ' ND2' ' CG2' ' A' ' 40' ' ' THR . 4.2 t30 -120.98 61.52 0.89 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.922 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.438 ' N ' HD23 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -74.9 -5.88 46.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.427 HG23 ' N ' ' A' ' 80' ' ' VAL . 9.9 t -54.53 -41.31 69.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.116 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.487 HG21 ' CB ' ' A' ' 32' ' ' PRO . 23.3 m -62.21 -35.77 70.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.156 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 42.8 mt -70.72 -38.01 73.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.95 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.9 tmtt? -57.71 129.93 44.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 88.3 p -158.35 147.44 19.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 144.91 139.09 3.39 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.508 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -9.42 26.08 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.722 2.281 . . . . 0.0 112.339 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 6.2 t -78.16 88.39 4.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 84.4 p -51.17 -40.05 57.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 CA-C-O 119.122 -0.821 . . . . 0.0 112.51 -179.996 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.531 -0.228 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 m -158.44 143.1 16.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.865 0.364 . . . . 0.0 110.806 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 m -146.4 153.42 40.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.885 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.89 135.79 1.9 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.495 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.0 t -126.52 138.93 53.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.848 0.356 . . . . 0.0 110.845 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.6 p -114.18 157.43 22.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.55 147.43 17.09 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.515 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -140.63 178.63 7.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.862 0.363 . . . . 0.0 110.887 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -123.73 148.69 46.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -116.63 103.57 10.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -111.85 14.71 21.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.116 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.4 mt -62.47 153.92 30.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.3 ptp180 -115.41 -31.6 5.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -76.76 168.91 19.26 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.886 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.4 m -99.12 43.48 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.079 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.438 ' O ' ' CD2' ' A' ' 25' ' ' PHE . 20.5 mt -55.6 -18.14 7.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -107.42 153.37 22.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.902 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.444 ' O ' ' HA ' ' A' ' 22' ' ' MET . 53.9 t -66.58 136.29 94.79 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.638 0.732 . . . . 0.0 110.882 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.506 ' CD ' ' O ' ' A' ' 40' ' ' THR . 53.4 Cg_endo -69.77 0.5 5.56 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.636 2.224 . . . . 0.0 112.385 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 41.2 mt -115.12 -74.72 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.106 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 15.5 p -74.77 -26.13 59.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.444 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 16.3 mmt 63.86 52.47 2.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -120.38 129.56 53.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 65.5 p -41.79 105.09 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.438 ' CD2' ' O ' ' A' ' 16' ' ' LEU . 17.9 m-85 -41.99 100.43 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.872 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 37.0 p -101.17 109.41 21.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.13 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -44.44 -38.3 3.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.94 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -45.82 -65.12 0.59 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.86 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 11.1 tp60 -116.67 -70.67 0.78 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.942 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.447 HD22 ' NE2' ' A' ' 44' ' ' GLN . 74.3 mt -65.86 75.44 0.08 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -80.73 128.58 71.38 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.586 0.708 . . . . 0.0 110.856 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.484 ' CB ' HG23 ' A' ' 80' ' ' VAL . 53.6 Cg_endo -69.75 119.59 6.52 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.651 2.234 . . . . 0.0 112.359 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm -121.8 132.57 54.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.472 ' CD1' ' O ' ' A' ' 38' ' ' GLY . 5.9 tp -96.47 132.74 41.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.434 HD22 ' CD1' ' A' ' 46' ' ' LEU . 63.4 mt -85.98 162.5 18.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.491 ' CD2' HG21 ' A' ' 66' ' ' THR . 19.0 m170 -58.48 -10.94 2.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.805 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 29.3 p -89.23 -47.29 8.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.858 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.472 ' O ' ' CD1' ' A' ' 34' ' ' LEU . . . 142.18 -29.37 2.18 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.507 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 28.6 m170 -62.36 142.91 57.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.895 0.379 . . . . 0.0 110.847 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.506 ' O ' ' CD ' ' A' ' 19' ' ' PRO . 87.9 m -104.58 131.93 51.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.167 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.464 HG23 ' N ' ' A' ' 42' ' ' CYS . 10.6 mt -140.46 145.49 25.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.153 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.464 ' N ' HG23 ' A' ' 41' ' ' ILE . 17.5 p -71.7 131.55 43.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.415 ' HG3' ' N ' ' A' ' 44' ' ' GLN . 2.3 ppt_? -37.38 -34.57 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.447 ' NE2' HD22 ' A' ' 30' ' ' LEU . 5.0 tt0 -56.7 -50.22 72.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.935 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.46 ' HB2' ' CG2' ' A' ' 41' ' ' ILE . 52.0 m -71.25 -40.17 71.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.434 ' CD1' HD22 ' A' ' 35' ' ' LEU . 6.1 tp -62.04 -41.0 97.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.892 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.422 ' CD ' HD12 ' A' ' 71' ' ' LEU . 4.5 mm-40 -55.85 -51.4 67.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -51.21 -36.67 42.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 95.9 mt -75.52 -54.55 6.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.884 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.2 tt -52.69 -35.3 55.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.31 -70.96 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.124 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.7 t -69.58 -40.51 76.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.841 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 36.6 m -51.76 -177.54 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.848 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.433 ' O ' ' N ' ' A' ' 56' ' ' GLY . 15.9 tt -157.29 154.8 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.111 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.429 ' C ' ' O ' ' A' ' 54' ' ' ILE . 75.1 m-20 35.59 34.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 54' ' ' ILE . . . 139.19 157.38 7.29 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.481 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 88.6 t -100.77 133.23 44.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.844 0.354 . . . . 0.0 111.106 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 24.6 ttm180 -87.22 125.25 34.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.467 ' O ' ' HA ' ' A' ' 63' ' ' SER . 16.9 t -84.35 126.1 70.26 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.659 0.742 . . . . 0.0 110.916 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 3.82 2.57 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.696 2.264 . . . . 0.0 112.349 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -110.09 -63.5 1.37 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 22.3 p -99.04 -20.06 16.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.467 ' HA ' ' O ' ' A' ' 59' ' ' CYS . 5.3 p 65.73 43.05 3.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -103.06 100.74 10.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.9 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.414 ' CG2' ' HA3' ' A' ' 56' ' ' GLY . 48.5 mm -45.66 120.17 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.151 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.491 HG21 ' CD2' ' A' ' 36' ' ' HIS . 7.5 m -95.37 84.82 4.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 5.2 mmm180 -51.65 87.72 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.826 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.483 HG23 ' N ' ' A' ' 74' ' ' LEU . 1.3 pt -149.48 106.27 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.124 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 12.0 t -63.46 -29.31 70.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.155 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 50.3 m -112.73 165.87 11.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.422 HD12 ' CD ' ' A' ' 47' ' ' GLU . 91.2 mt -77.29 -28.76 53.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.906 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 8.7 t -83.42 -22.46 32.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.11 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -50.8 -51.94 45.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.911 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.483 ' N ' HG23 ' A' ' 68' ' ' ILE . 1.4 pp -52.59 -174.5 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.948 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.412 ' O ' ' N ' ' A' ' 34' ' ' LEU . 85.6 m -83.77 126.12 32.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.127 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -72.18 148.96 45.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.842 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 20.3 t30 -125.25 67.4 1.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.435 ' C ' ' CD2' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -78.98 12.47 2.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.938 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.403 HG22 ' N ' ' A' ' 80' ' ' VAL . 9.3 t -76.63 -39.66 51.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.484 HG23 ' CB ' ' A' ' 32' ' ' PRO . 31.3 m -67.92 -26.91 35.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.151 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 87.3 mt -80.31 -36.42 34.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -149.58 148.36 29.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 35.9 t -87.28 110.68 20.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -136.52 120.28 2.15 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.492 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 94.85 0.54 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.672 2.248 . . . . 0.0 112.322 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 60.3 m -62.06 126.36 27.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 34.5 m -139.3 130.21 26.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.884 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 CA-C-O 119.118 -0.823 . . . . 0.0 112.502 -179.969 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.441 -0.264 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.1 t -160.58 167.82 26.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.913 0.387 . . . . 0.0 110.836 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.5 t -144.91 152.01 39.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.873 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.14 77.53 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.496 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.3 m -136.18 128.1 29.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.867 0.365 . . . . 0.0 110.853 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.2 t -119.02 164.17 15.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.824 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.37 92.74 0.29 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.474 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 31.6 p-10 -122.4 42.21 3.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.878 0.371 . . . . 0.0 110.898 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.7 tp -138.72 147.85 43.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -135.52 122.57 21.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -99.67 -27.47 13.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.132 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.435 HD23 ' N ' ' A' ' 12' ' ' LEU . 4.4 mm? -54.24 111.31 0.75 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 30.8 ptt180 -112.11 -36.17 5.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -45.75 167.16 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 21.7 m -104.71 35.82 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.119 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 28.3 mt -47.5 -20.73 0.26 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -110.03 149.91 29.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.887 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.44 ' O ' ' HA ' ' A' ' 22' ' ' MET . 53.3 t -62.76 134.38 95.41 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.594 0.711 . . . . 0.0 110.904 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.481 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 54.0 Cg_endo -69.74 1.18 4.66 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.72 2.28 . . . . 0.0 112.336 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 25.4 mt -111.95 -74.59 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.158 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.413 ' SG ' ' HB3' ' A' ' 18' ' ' CYS . 6.0 p -73.77 -25.62 60.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.44 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 85.7 mmm 66.43 40.94 3.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.88 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -117.87 126.67 52.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.933 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.3 t -38.11 125.71 1.26 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.496 ' CG ' ' HB3' ' A' ' 32' ' ' PRO . 29.3 m-85 -59.96 100.08 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 27' ' ' GLU . 24.0 p -101.15 99.1 9.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.18 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 26' ' ' THR . 1.3 pp20? -36.95 -40.49 0.29 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -44.52 -59.87 2.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -118.28 -70.35 0.8 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.944 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 59.7 mt -69.67 82.91 0.43 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.938 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 56.1 mtm-85 -81.94 126.53 74.87 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.604 0.716 . . . . 0.0 110.897 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.496 ' HB3' ' CG ' ' A' ' 25' ' ' PHE . 53.9 Cg_endo -69.8 115.59 4.17 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.632 2.222 . . . . 0.0 112.389 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.45 ' NZ ' ' O ' ' A' ' 71' ' ' LEU . 14.2 mmmt -112.33 142.51 44.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.888 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.7 tp -110.26 132.39 54.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.954 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 90.3 mt -92.52 162.63 14.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.559 ' CD2' HG22 ' A' ' 66' ' ' THR . 19.0 m170 -60.85 -8.45 3.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 30.0 p -88.48 -43.18 11.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 136.2 -30.65 2.7 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.454 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 23.1 m170 -61.1 141.17 57.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.847 0.356 . . . . 0.0 110.886 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.439 ' HG1' ' ND2' ' A' ' 77' ' ' ASN . 27.7 m -107.16 122.52 46.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.139 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.484 HG23 ' N ' ' A' ' 42' ' ' CYS . 11.2 mt -130.7 148.22 33.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.1 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.484 ' N ' HG23 ' A' ' 41' ' ' ILE . 16.8 p -72.13 148.66 45.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.406 ' HD2' ' C ' ' A' ' 43' ' ' ARG . 5.3 ppt_? -50.9 -36.64 39.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.446 ' HB3' ' SG ' ' A' ' 42' ' ' CYS . 6.0 tt0 -53.6 -51.87 61.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.411 ' HB2' ' CG2' ' A' ' 41' ' ' ILE . 76.8 m -72.75 -41.69 64.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.421 ' CD2' HD23 ' A' ' 71' ' ' LEU . 5.9 tp -61.09 -33.65 73.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.431 ' CD ' HD11 ' A' ' 71' ' ' LEU . 5.0 mm-40 -67.04 -49.69 64.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.928 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -50.62 -32.71 19.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.904 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 70.8 mt -84.08 -55.47 4.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.929 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.2 tt -50.0 -41.83 47.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -42.32 -66.43 0.36 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.082 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.9 t -63.69 -57.36 10.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.862 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.1 p -47.89 147.13 2.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.801 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.9 tt -127.24 -30.09 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.115 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -109.32 41.84 1.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.463 ' HA3' ' CG2' ' A' ' 65' ' ' ILE . . . 111.0 154.51 13.38 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.486 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 60.5 t -87.49 130.65 36.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.824 0.345 . . . . 0.0 111.11 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.422 ' HB3' ' NH1' ' A' ' 58' ' ' ARG . 20.5 ttp-105 -91.29 116.93 29.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.824 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.413 ' O ' ' HA ' ' A' ' 63' ' ' SER . 33.3 t -71.82 121.16 83.75 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.637 0.732 . . . . 0.0 110.904 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 3.3 2.84 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.695 2.263 . . . . 0.0 112.349 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.481 ' CZ ' ' HB2' ' A' ' 19' ' ' PRO . 33.3 m-85 -104.46 -55.35 2.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 24.8 p -109.04 -22.97 11.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.85 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.413 ' HA ' ' O ' ' A' ' 59' ' ' CYS . 8.5 t 71.13 48.74 0.36 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.865 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 76.8 mttt -114.18 100.74 8.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.463 ' CG2' ' HA3' ' A' ' 56' ' ' GLY . 44.9 mm -45.45 124.34 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.148 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.559 HG22 ' CD2' ' A' ' 36' ' ' HIS . 7.5 m -76.91 -28.45 55.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.174 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 10.7 mmm180 60.99 53.29 3.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.475 HD11 ' CD2' ' A' ' 74' ' ' LEU . 1.8 pt -131.47 116.98 33.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.135 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 11.9 t -84.46 34.93 0.53 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.088 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.9 m -175.68 151.71 1.2 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.842 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.45 ' O ' ' NZ ' ' A' ' 33' ' ' LYS . 59.7 mt -70.73 -23.5 62.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.406 HG23 ' N ' ' A' ' 73' ' ' GLN . 13.2 t -87.72 -26.9 22.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.158 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.406 ' N ' HG23 ' A' ' 72' ' ' THR . 4.5 mm100 -51.31 -60.81 2.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.475 ' CD2' HD11 ' A' ' 68' ' ' ILE . 2.3 pp -51.31 -175.14 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.948 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 98.8 m -87.43 127.14 35.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.104 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -71.68 156.23 39.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.439 ' ND2' ' HG1' ' A' ' 40' ' ' THR . 26.8 t-20 -127.43 68.31 1.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.533 ' C ' ' CD2' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -85.02 16.26 3.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.4 t -83.36 -30.06 27.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.119 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.488 HG23 ' CB ' ' A' ' 32' ' ' PRO . 15.3 m -72.65 -26.9 24.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.085 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 74.1 mt -72.86 -40.4 65.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.454 ' O ' ' C ' ' A' ' 83' ' ' SER . 40.7 mmtt -92.43 40.09 1.04 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.454 ' C ' ' O ' ' A' ' 82' ' ' LYS . 18.6 t 33.84 42.07 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -67.21 115.63 7.32 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.44 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 91.4 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.68 2.253 . . . . 0.0 112.341 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 29.8 p -108.63 123.85 49.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 33.2 t -120.29 121.59 38.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 119.187 -0.785 . . . . 0.0 112.494 -179.979 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 3' ' ' SER . 3.8 t -59.77 -56.72 18.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.896 0.379 . . . . 0.0 110.862 -179.749 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 2' ' ' SER . 52.9 p -35.01 145.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.831 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.11 122.02 0.74 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.443 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.8 p -160.4 115.55 2.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.873 0.368 . . . . 0.0 110.868 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.5 t -124.68 99.36 6.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.852 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.38 106.36 2.84 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.495 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -120.18 41.68 3.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.865 0.365 . . . . 0.0 110.909 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -52.8 176.18 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.967 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -133.76 114.06 12.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -94.15 -56.62 2.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.076 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -56.0 169.17 0.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.43 ' C ' ' OE1' ' A' ' 14' ' ' GLU . 9.3 ptm180 -107.89 40.73 1.67 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.43 ' OE1' ' C ' ' A' ' 13' ' ' ARG . 0.7 OUTLIER -119.68 166.7 12.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.926 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.474 ' O ' ' N ' ' A' ' 17' ' ' GLU . 33.0 m -103.64 32.76 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.128 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.9 mt -39.95 -25.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.913 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 15' ' ' VAL . 4.3 mt-10 -109.32 150.31 28.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.448 ' O ' ' HA ' ' A' ' 22' ' ' MET . 53.6 t -62.85 135.87 96.2 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.595 0.712 . . . . 0.0 110.85 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.575 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 53.6 Cg_endo -69.75 0.22 5.95 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.69 2.26 . . . . 0.0 112.329 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 47.6 mt -114.71 -74.06 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.122 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.402 ' O ' ' HB2' ' A' ' 22' ' ' MET . 20.8 p -75.82 -27.03 57.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.448 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 7.1 mmt 66.07 49.33 1.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -119.22 126.81 52.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 99.9 p -39.85 121.19 1.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.836 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -59.84 106.69 0.52 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.887 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 39.0 p -85.56 -174.44 5.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.146 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -96.4 -63.61 1.13 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -83.99 27.13 0.67 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.5 ' O ' ' C ' ' A' ' 30' ' ' LEU . 3.0 tp60 -173.38 171.35 4.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.568 ' CD2' ' NE2' ' A' ' 44' ' ' GLN . 25.5 mt 30.22 45.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.937 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.9 mtp85 -58.69 128.73 84.18 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.637 0.732 . . . . 0.0 110.877 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.485 ' HG3' ' CG2' ' A' ' 80' ' ' VAL . 53.6 Cg_endo -69.8 113.34 3.35 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.652 2.235 . . . . 0.0 112.359 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.0 mmmm -112.28 130.55 55.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.466 ' N ' ' O ' ' A' ' 75' ' ' THR . 6.8 tp -97.76 132.75 43.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.467 HD21 ' CD1' ' A' ' 46' ' ' LEU . 87.2 mt -91.49 162.61 14.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.914 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.577 ' CD2' HG22 ' A' ' 66' ' ' THR . 21.7 m170 -62.34 -6.95 3.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 29.9 p -88.92 -45.14 9.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 139.33 -30.2 2.45 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.473 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 26.4 m170 -64.24 144.21 57.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.847 0.356 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.432 ' O ' ' CD ' ' A' ' 19' ' ' PRO . 28.7 m -110.7 122.61 48.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.186 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.497 HG22 ' N ' ' A' ' 42' ' ' CYS . 55.7 mt -131.15 152.26 37.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.134 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.497 ' N ' HG22 ' A' ' 41' ' ' ILE . 16.3 p -72.03 147.51 46.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.516 ' HG3' ' N ' ' A' ' 44' ' ' GLN . 3.3 ptt180 -53.04 -32.19 45.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.568 ' NE2' ' CD2' ' A' ' 30' ' ' LEU . 6.7 tt0 -57.81 -45.07 86.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.922 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.472 ' HB2' ' CG2' ' A' ' 41' ' ' ILE . 92.7 m -79.81 -32.07 40.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.467 ' CD1' HD21 ' A' ' 35' ' ' LEU . 5.2 tp -70.27 -33.29 71.41 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -68.75 -45.91 70.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.88 -30.02 65.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.901 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 95.9 mt -85.37 -51.55 6.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.935 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.405 ' HG ' ' CG2' ' A' ' 57' ' ' VAL . 1.7 tt -53.32 -42.19 66.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.89 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -47.82 -57.44 5.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.109 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.6 t -60.89 -67.33 0.41 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.5 m -54.63 160.56 1.78 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.874 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 13.3 tt -129.58 -43.18 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.14 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -88.99 37.67 0.86 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 126.31 -161.11 20.71 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.485 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.405 ' CG2' ' HG ' ' A' ' 50' ' ' LEU . 86.1 t -135.35 113.65 15.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.797 0.332 . . . . 0.0 111.128 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.419 ' HB3' ' NH1' ' A' ' 58' ' ' ARG . 20.5 ttp-105 -73.74 118.49 16.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.452 ' O ' ' HA ' ' A' ' 63' ' ' SER . 35.4 t -71.41 127.99 90.57 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.614 0.721 . . . . 0.0 110.913 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 3.6 2.68 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.676 2.251 . . . . 0.0 112.343 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.575 ' CZ ' ' HB2' ' A' ' 19' ' ' PRO . 28.7 m-85 -112.9 -59.01 2.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 26.6 p -103.15 -18.93 14.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.452 ' HA ' ' O ' ' A' ' 59' ' ' CYS . 5.7 t 61.86 46.32 6.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.833 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 38.6 mttm -110.23 95.0 5.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.855 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 45.7 mm -37.73 124.75 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.154 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.577 HG22 ' CD2' ' A' ' 36' ' ' HIS . 18.1 m -77.41 -28.48 52.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 7.2 mmt180 64.88 54.84 1.26 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.499 HD12 ' CD2' ' A' ' 74' ' ' LEU . 1.1 pt -132.23 124.55 52.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.158 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.2 p -68.49 -46.39 69.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.131 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.2 p -104.29 173.29 6.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.416 HD23 ' CD2' ' A' ' 46' ' ' LEU . 15.8 mt -79.87 -41.4 26.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 11.2 t -68.23 -7.39 30.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.166 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.459 ' HB3' ' CG2' ' A' ' 68' ' ' ILE . 2.9 mt-30 -67.26 -61.55 1.86 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.499 ' CD2' HD12 ' A' ' 68' ' ' ILE . 1.7 pp -49.23 -179.53 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.466 ' O ' ' N ' ' A' ' 34' ' ' LEU . 85.7 m -77.5 135.5 38.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.171 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -82.43 150.6 27.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.434 ' ND2' HG23 ' A' ' 79' ' ' THR . 24.2 t-20 -124.36 67.25 1.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.868 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.505 ' C ' ' CD2' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -81.75 14.94 2.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.943 179.913 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.434 HG23 ' ND2' ' A' ' 77' ' ' ASN . 15.2 t -79.21 -31.21 43.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.118 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.485 ' CG2' ' HG3' ' A' ' 32' ' ' PRO . 18.7 m -78.37 -26.55 14.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.122 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 64.5 mt -79.36 -37.35 37.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 34.4 mmtt -80.84 172.24 13.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 46.2 p -57.68 161.83 3.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.824 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -79.24 145.8 28.5 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.477 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 111.86 2.93 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.646 2.231 . . . . 0.0 112.352 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 6.3 t -94.36 122.32 36.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 17.2 t -76.74 86.64 3.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.252 0 CA-C-O 119.183 -0.787 . . . . 0.0 112.432 -179.992 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t -168.24 136.54 2.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.831 0.348 . . . . 0.0 110.86 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 t -100.32 164.06 12.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.829 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.15 90.67 0.12 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.473 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.3 p -133.66 98.53 4.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.875 0.369 . . . . 0.0 110.891 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.2 m -150.58 154.97 38.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.852 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.94 148.83 20.77 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.484 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 11.6 p-10 -164.84 177.75 7.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.863 0.363 . . . . 0.0 110.925 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.8 tp -89.18 140.01 29.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.951 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -98.18 97.56 8.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.813 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -105.22 -36.5 7.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -56.45 157.15 5.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.903 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 31.3 ptt180 -98.64 36.0 1.73 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -119.51 176.81 5.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 17' ' ' GLU . 34.1 m -120.72 36.89 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.127 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 66.0 mt -41.21 -24.88 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.951 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 15' ' ' VAL . 9.7 mt-10 -106.1 152.52 23.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.884 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.456 ' O ' ' HA ' ' A' ' 22' ' ' MET . 53.3 t -68.04 135.89 91.78 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.641 0.734 . . . . 0.0 110.843 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.519 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 53.3 Cg_endo -69.8 0.45 5.66 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.693 2.262 . . . . 0.0 112.32 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 36.1 mt -113.81 -75.29 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.152 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.407 ' O ' ' HB2' ' A' ' 22' ' ' MET . 11.1 p -73.57 -26.91 61.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.879 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.456 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 7.8 mmt 67.54 43.13 1.96 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.896 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 24' ' ' SER . 28.0 mm-40 -117.64 126.85 53.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 23' ' ' GLU . 6.3 t -36.28 129.75 0.7 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.866 -179.795 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.507 ' CG ' ' HB3' ' A' ' 32' ' ' PRO . 15.4 m-85 -66.64 101.07 0.74 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.88 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 46.0 p -96.16 137.85 34.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.104 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -82.02 11.49 5.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -106.72 -43.86 4.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -126.63 -68.54 0.8 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.929 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.475 ' CD2' ' NE2' ' A' ' 44' ' ' GLN . 21.7 mt -78.76 82.03 5.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 38.1 mtp180 -81.15 128.32 71.11 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.596 0.713 . . . . 0.0 110.847 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.507 ' HB3' ' CG ' ' A' ' 25' ' ' PHE . 54.0 Cg_endo -69.72 121.58 8.27 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.714 2.276 . . . . 0.0 112.392 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.9 mmmt -119.11 136.92 53.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.928 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.405 ' N ' ' O ' ' A' ' 75' ' ' THR . 5.9 tp -104.69 128.17 52.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 70.8 mt -86.53 162.5 18.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.969 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.581 ' CD2' HG21 ' A' ' 66' ' ' THR . 22.3 m170 -62.27 -7.28 4.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.4 p -90.33 -44.13 9.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 139.47 -32.14 2.27 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.492 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 23.4 m170 -60.92 140.86 57.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.87 0.367 . . . . 0.0 110.855 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.453 ' O ' ' CD ' ' A' ' 19' ' ' PRO . 4.5 m -107.54 119.59 39.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.126 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.508 HG23 ' N ' ' A' ' 42' ' ' CYS . 45.1 mt -129.0 149.18 33.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.1 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.508 ' N ' HG23 ' A' ' 41' ' ' ILE . 16.1 p -71.97 143.15 49.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.853 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.505 ' HG3' ' N ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -47.82 -36.92 12.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.505 ' N ' ' HG3' ' A' ' 43' ' ' ARG . 12.4 tt0 -53.91 -47.17 71.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.445 ' HB2' ' CG2' ' A' ' 41' ' ' ILE . 58.0 m -76.13 -34.66 59.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.418 ' CD2' HD22 ' A' ' 71' ' ' LEU . 5.8 tp -67.02 -31.89 72.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.414 ' CD ' HD11 ' A' ' 71' ' ' LEU . 3.6 mm-40 -65.02 -47.21 78.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.415 ' HZ2' ' CG ' ' A' ' 44' ' ' GLN . 0.2 OUTLIER -54.14 -37.22 64.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.916 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 58.4 mt -79.22 -50.27 11.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.5 tt -58.54 -31.03 67.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.09 -58.26 7.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.054 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 32.6 t -64.81 -41.98 95.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.0 p -52.76 -174.66 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.835 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.2 tp -113.49 -53.51 5.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.165 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 42.2 m-80 -132.89 -38.77 0.98 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.403 ' HA3' ' CG2' ' A' ' 65' ' ' ILE . . . -106.56 172.0 17.95 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.497 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 89.5 t -117.16 101.89 12.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.778 0.323 . . . . 0.0 111.142 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 23.0 ttm180 -63.91 114.58 4.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.484 ' O ' ' N ' ' A' ' 63' ' ' SER . 18.8 t -68.43 124.23 89.42 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.579 0.704 . . . . 0.0 110.886 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 3.97 2.46 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.706 2.27 . . . . 0.0 112.352 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.519 ' CZ ' ' HB2' ' A' ' 19' ' ' PRO . 28.4 m-85 -110.87 -52.37 2.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 27.7 p -113.06 -11.73 13.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.484 ' N ' ' O ' ' A' ' 59' ' ' CYS . 63.6 m 53.86 51.69 14.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.827 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.467 ' O ' ' C ' ' A' ' 65' ' ' ILE . 49.0 mttm -114.77 88.42 2.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.467 ' C ' ' O ' ' A' ' 64' ' ' LYS . 29.3 mm -30.93 129.77 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.581 HG21 ' CD2' ' A' ' 36' ' ' HIS . 21.6 m -86.25 -27.25 24.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.124 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 20.5 mmt180 64.47 53.76 1.59 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.483 ' CD1' ' HB3' ' A' ' 74' ' ' LEU . 2.2 pt -134.59 105.34 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.153 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.436 ' H ' ' NE2' ' A' ' 73' ' ' GLN . 5.8 t -61.68 -30.53 70.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.121 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.2 t -106.12 168.38 9.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.418 HD22 ' CD2' ' A' ' 46' ' ' LEU . 49.4 mt -85.37 -21.76 28.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.932 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 15.2 t -88.83 -24.93 22.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.166 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.436 ' NE2' ' H ' ' A' ' 69' ' ' THR . 5.7 mt-30 -50.22 -52.91 31.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.483 ' HB3' ' CD1' ' A' ' 68' ' ' ILE . 2.4 pp -53.69 -174.21 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.405 ' O ' ' N ' ' A' ' 34' ' ' LEU . 86.9 m -88.14 123.83 33.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.196 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -68.93 153.18 44.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.874 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -124.76 66.98 1.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.943 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.479 ' C ' ' CD2' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -80.98 12.87 3.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.7 t -79.69 -35.7 38.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.131 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.485 ' CG2' ' HG3' ' A' ' 32' ' ' PRO . 17.1 m -70.76 -23.94 24.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.121 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 21.8 mt -81.0 -35.34 32.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.95 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 83' ' ' SER . 15.5 tptp -172.38 147.28 1.92 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.922 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 82' ' ' LYS . 1.8 t -36.51 104.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.907 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -78.73 146.1 29.49 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.498 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 128.82 16.57 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.694 2.262 . . . . 0.0 112.325 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.4 m -39.97 -46.64 2.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.7 m -85.43 171.39 11.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.824 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 CA-C-O 119.103 -0.832 . . . . 0.0 112.432 -180.0 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.0 m -141.42 114.92 8.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.885 0.374 . . . . 0.0 110.859 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.3 t -131.61 148.95 52.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.67 161.16 40.16 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.464 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.6 p -162.53 140.46 8.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.87 0.367 . . . . 0.0 110.886 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 t -94.72 89.49 5.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.849 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.3 126.68 5.59 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.461 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -115.05 110.77 20.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.873 0.368 . . . . 0.0 110.873 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.4 pp -167.15 163.99 15.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -136.3 107.83 6.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.835 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 12' ' ' LEU . . . -125.13 -44.85 1.88 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.109 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 11' ' ' ALA . 4.1 mm? -36.72 146.32 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.957 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.7 ptp180 -99.22 -42.79 6.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.827 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -47.18 172.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 28.2 m -101.47 35.81 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.151 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 27.6 mt -44.83 -23.17 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.965 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -112.04 140.81 46.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.459 ' O ' ' HA ' ' A' ' 22' ' ' MET . 53.5 t -55.07 135.77 67.64 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.635 0.731 . . . . 0.0 110.879 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.526 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 53.9 Cg_endo -69.73 0.18 6.0 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.744 2.296 . . . . 0.0 112.363 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 30.3 mt -113.41 -73.86 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.121 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 11.2 p -75.59 -26.71 58.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.877 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.459 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 14.9 mmt 66.41 51.54 1.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.844 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.425 ' HB3' ' CD1' ' A' ' 30' ' ' LEU . 15.4 mt-10 -121.08 135.0 55.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.866 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 24.3 p -44.7 130.44 7.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.531 ' CG ' ' HB3' ' A' ' 32' ' ' PRO . 28.8 m-85 -75.36 101.02 4.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.5 t -121.8 137.04 54.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.115 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -75.88 48.72 0.49 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -132.97 -44.04 0.87 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 42.0 tp60 -132.55 -35.48 1.13 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.941 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.425 ' CD1' ' HB3' ' A' ' 23' ' ' GLU . 4.7 mt -121.69 107.37 12.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.972 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 64.2 mtm180 -96.62 124.02 52.09 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.591 0.71 . . . . 0.0 110.883 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.531 ' HB3' ' CG ' ' A' ' 25' ' ' PHE . 53.9 Cg_endo -69.84 113.71 3.48 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.696 2.264 . . . . 0.0 112.332 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.8 mmmt -114.16 134.05 55.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.42 ' CD1' ' O ' ' A' ' 38' ' ' GLY . 5.7 tp -98.05 129.13 44.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.912 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 84.8 mt -85.36 162.64 18.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.939 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.523 ' CD2' HG21 ' A' ' 66' ' ' THR . 22.8 m170 -58.95 -10.12 2.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.444 ' CB ' ' HD2' ' A' ' 64' ' ' LYS . 28.9 p -89.16 -47.02 8.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.862 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.42 ' O ' ' CD1' ' A' ' 34' ' ' LEU . . . 141.05 -29.49 2.31 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.48 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 28.5 m170 -61.89 142.76 57.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.88 0.371 . . . . 0.0 110.837 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.642 ' HG1' ' ND2' ' A' ' 77' ' ' ASN . 90.4 m -105.41 123.52 48.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.112 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.443 ' CG2' ' HB2' ' A' ' 45' ' ' CYS . 10.6 mt -130.87 146.11 34.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.112 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.468 ' SG ' ' HB3' ' A' ' 44' ' ' GLN . 19.0 p -71.46 135.81 47.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.413 ' HD3' ' C ' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -41.81 -31.49 0.32 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.84 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.468 ' HB3' ' SG ' ' A' ' 42' ' ' CYS . 5.1 tt0 -58.85 -50.25 74.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.443 ' HB2' ' CG2' ' A' ' 41' ' ' ILE . 63.6 m -72.44 -41.4 66.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.853 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.462 HD23 ' CD2' ' A' ' 71' ' ' LEU . 5.6 tp -63.46 -36.95 85.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -60.14 -49.69 76.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.66 -36.55 57.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 90.4 mt -77.33 -54.03 6.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.925 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.3 tt -52.38 -43.48 64.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -39.83 -68.83 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.133 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.6 t -63.28 -53.42 53.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.828 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.6 m -46.16 152.82 0.37 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.825 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 9.8 tt -131.1 -33.15 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.122 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 71.2 m-20 -110.52 40.87 1.88 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 112.64 158.0 13.46 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.49 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 47.6 t -89.86 135.84 25.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.804 0.335 . . . . 0.0 111.12 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 56.3 ttp85 -94.01 118.24 31.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.431 ' O ' ' HA ' ' A' ' 63' ' ' SER . 34.4 t -71.89 127.2 90.99 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.624 0.726 . . . . 0.0 110.901 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 2.96 3.08 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.722 2.281 . . . . 0.0 112.281 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.526 ' CZ ' ' HB2' ' A' ' 19' ' ' PRO . 24.4 m-85 -109.74 -67.13 1.01 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.873 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 27.4 p -97.72 -21.09 17.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.865 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.431 ' HA ' ' O ' ' A' ' 59' ' ' CYS . 20.2 m 66.26 45.57 2.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.467 ' O ' ' C ' ' A' ' 65' ' ' ILE . 85.9 mttt -99.44 87.31 3.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.467 ' C ' ' O ' ' A' ' 64' ' ' LYS . 42.7 mm -32.52 125.68 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.134 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.523 HG21 ' CD2' ' A' ' 36' ' ' HIS . 0.8 OUTLIER -104.83 82.58 1.9 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.178 179.92 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.7 mpt_? -51.52 90.07 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.87 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.493 HG23 ' N ' ' A' ' 74' ' ' LEU . 1.1 pt -151.73 106.98 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.111 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.467 ' N ' ' OE1' ' A' ' 73' ' ' GLN . 3.6 t -62.41 -36.94 83.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.152 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.6 t -107.05 161.17 14.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.462 ' CD2' HD23 ' A' ' 46' ' ' LEU . 27.6 mt -75.09 -26.47 59.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.959 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 7.0 t -85.07 -7.46 59.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.093 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.467 ' OE1' ' N ' ' A' ' 69' ' ' THR . 10.1 mt-30 -67.84 -53.94 22.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.917 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.493 ' N ' HG23 ' A' ' 68' ' ' ILE . 1.6 pp -53.78 -174.26 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.954 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.402 ' O ' ' N ' ' A' ' 34' ' ' LEU . 85.4 m -82.96 129.53 35.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.16 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.39 149.8 31.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.851 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.642 ' ND2' ' HG1' ' A' ' 40' ' ' THR . 24.8 t30 -124.58 66.26 1.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.525 ' C ' ' CD2' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -82.12 19.67 1.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.2 t -84.94 -34.8 22.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.172 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.478 ' CG2' ' HG3' ' A' ' 32' ' ' PRO . 18.7 m -68.87 -34.94 67.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.133 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.454 ' O ' ' C ' ' A' ' 82' ' ' LYS . 5.0 mt -70.75 -38.15 73.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.454 ' C ' ' O ' ' A' ' 81' ' ' LEU . 10.1 tmtt? -33.84 121.32 0.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 92.0 p -161.44 132.76 5.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 159.83 -168.79 35.67 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.49 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 86' ' ' SER . 53.4 Cg_endo -69.77 153.56 68.75 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.701 2.268 . . . . 0.0 112.336 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 85' ' ' PRO . 23.1 p -37.63 -56.16 1.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.876 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 47.0 t -121.09 141.54 50.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.828 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 CA-C-O 119.132 -0.815 . . . . 0.0 112.484 179.985 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.8 t -110.01 139.28 45.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.948 0.404 . . . . 0.0 110.832 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.3 p -55.86 -55.18 35.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.898 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.25 -135.48 24.05 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.516 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.4 t 53.18 42.79 32.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.837 0.351 . . . . 0.0 110.837 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.4 m -107.42 99.25 8.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.864 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.07 140.42 13.57 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.495 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 22.3 p-10 -96.96 171.41 8.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.857 0.36 . . . . 0.0 110.926 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.438 ' N ' HD21 ' A' ' 9' ' ' LEU . 1.0 OUTLIER -147.05 166.04 28.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -122.85 108.78 13.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -116.76 -54.29 2.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.137 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.1 mp -63.17 164.9 7.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.1 ptt-85 -99.05 -25.71 14.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -67.6 161.42 25.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 17' ' ' GLU . 33.8 m -107.02 35.03 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.154 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.48 ' O ' ' CD2' ' A' ' 25' ' ' PHE . 23.2 mt -41.46 -24.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.939 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 15' ' ' VAL . 4.2 mt-10 -106.0 135.61 47.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.451 ' O ' ' HA ' ' A' ' 22' ' ' MET . 53.8 t -51.53 136.66 32.78 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.611 0.719 . . . . 0.0 110.94 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.41 ' HD2' ' SG ' ' A' ' 18' ' ' CYS . 53.8 Cg_endo -69.81 0.41 5.72 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.677 2.251 . . . . 0.0 112.305 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.5 mt -114.3 -74.35 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.097 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.4 ' SG ' ' HB3' ' A' ' 18' ' ' CYS . 8.6 p -74.81 -25.84 59.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.867 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.451 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 3.9 mmt 63.08 45.53 5.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.413 ' HB3' ' CD1' ' A' ' 30' ' ' LEU . 23.4 mm-40 -114.66 126.33 54.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 23' ' ' GLU . 31.8 p -37.13 103.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.89 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.526 ' CG ' ' HB3' ' A' ' 32' ' ' PRO . 17.0 m-85 -39.77 99.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.865 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 30' ' ' LEU . 58.7 p -97.07 131.34 43.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.13 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -72.64 -18.11 61.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -70.21 -53.11 18.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -122.79 -70.62 0.77 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.443 HD22 ' NE2' ' A' ' 44' ' ' GLN . 34.0 mt -68.78 70.91 0.2 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 30.8 mtm105 -73.55 122.33 87.34 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.61 0.719 . . . . 0.0 110.895 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.526 ' HB3' ' CG ' ' A' ' 25' ' ' PHE . 53.9 Cg_endo -69.83 123.63 10.27 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.653 2.236 . . . . 0.0 112.351 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.429 ' HB3' ' CD1' ' A' ' 74' ' ' LEU . 0.4 OUTLIER -123.93 143.53 50.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 179.918 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.411 ' O ' ' O ' ' A' ' 75' ' ' THR . 6.7 tp -103.04 132.64 49.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 75.3 mt -88.22 162.84 16.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.659 ' CD2' ' CG2' ' A' ' 66' ' ' THR . 21.3 m170 -61.93 -7.47 3.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.832 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 26.6 p -89.28 -48.34 7.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 142.31 -25.9 2.32 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.468 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 30.2 m170 -69.28 146.84 51.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.855 0.359 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.453 ' OG1' ' ND2' ' A' ' 77' ' ' ASN . 98.6 m -109.93 125.72 53.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.175 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.461 ' CG2' ' HB2' ' A' ' 45' ' ' CYS . 56.0 mt -134.38 150.91 31.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.089 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.458 ' SG ' ' HB3' ' A' ' 44' ' ' GLN . 19.3 p -74.84 145.51 42.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.891 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.415 ' HG3' ' N ' ' A' ' 44' ' ' GLN . 0.5 OUTLIER -47.07 -37.03 8.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.906 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.458 ' HB3' ' SG ' ' A' ' 42' ' ' CYS . 7.2 tt0 -53.41 -58.45 7.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.461 ' HB2' ' CG2' ' A' ' 41' ' ' ILE . 95.8 m -65.29 -42.19 93.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.2 tp -62.34 -28.64 69.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.43 ' CD ' HD13 ' A' ' 71' ' ' LEU . 5.3 mm-40 -69.67 -47.35 63.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -53.51 -34.69 59.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.853 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.434 ' CD1' ' HD3' ' A' ' 60' ' ' PRO . 95.1 mt -80.35 -54.22 5.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.906 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.4 tt -52.52 -43.86 65.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.941 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -37.89 -66.04 0.28 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.111 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.7 t -69.86 -47.71 61.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.2 m -50.89 140.89 14.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.835 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 15.6 tt -128.83 -30.09 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.161 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -103.18 22.25 14.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 125.71 150.87 7.8 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.465 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 57.2 t -80.51 119.97 31.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.843 0.354 . . . . 0.0 111.093 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 41.3 ttt-85 -85.27 116.48 23.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.85 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.44 ' O ' ' HA ' ' A' ' 63' ' ' SER . 53.2 t -64.23 128.95 93.77 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.583 0.706 . . . . 0.0 110.917 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.434 ' HD3' ' CD1' ' A' ' 49' ' ' LEU . 53.7 Cg_endo -69.73 3.25 2.87 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.663 2.242 . . . . 0.0 112.327 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -115.59 -63.36 1.46 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.855 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 31.7 p -100.27 -12.5 19.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.44 ' HA ' ' O ' ' A' ' 59' ' ' CYS . 89.5 p 51.65 47.04 25.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.468 ' O ' ' C ' ' A' ' 65' ' ' ILE . 26.1 mtpt -100.12 87.82 3.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.892 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.468 ' C ' ' O ' ' A' ' 64' ' ' LYS . 44.4 mm -32.15 123.95 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.116 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.659 ' CG2' ' CD2' ' A' ' 36' ' ' HIS . 17.9 m -83.4 -29.02 28.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.124 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 8.5 mmt180 63.75 53.99 1.89 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.482 HG21 ' N ' ' A' ' 74' ' ' LEU . 1.5 pt -123.3 156.86 29.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.105 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 12.3 t -122.62 31.69 6.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.092 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.407 ' C ' ' N ' ' A' ' 72' ' ' THR . 1.4 t -175.54 128.33 0.26 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.856 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.43 HD13 ' CD ' ' A' ' 47' ' ' GLU . 46.2 mt -43.68 -22.95 0.06 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.933 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.425 ' O ' ' C ' ' A' ' 73' ' ' GLN . 9.0 t -90.6 -38.13 13.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.177 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 72' ' ' THR . 11.6 mm100 -35.65 -59.85 0.54 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.482 ' N ' HG21 ' A' ' 68' ' ' ILE . 1.9 pp -50.86 -175.35 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.916 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.46 HG23 ' N ' ' A' ' 76' ' ' ASP . 88.1 m -79.81 154.77 28.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.161 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.46 ' N ' HG23 ' A' ' 75' ' ' THR . 2.8 m-20 -98.29 154.75 17.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.879 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.453 ' ND2' ' OG1' ' A' ' 40' ' ' THR . 27.9 t-20 -127.8 59.72 1.46 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.485 ' C ' ' CD2' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -72.49 2.42 6.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.952 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 15.3 t -67.61 -36.03 80.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.208 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.482 HG21 ' CB ' ' A' ' 32' ' ' PRO . 34.1 m -68.37 -33.4 60.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.118 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 14.1 mt -75.63 -36.54 60.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.906 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 12.6 tmtt? -83.93 125.36 31.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 28.0 t -136.93 123.86 21.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -142.64 142.76 11.87 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.46 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -1.43 8.41 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.688 2.259 . . . . 0.0 112.373 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 21.6 m -144.56 151.02 38.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.858 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 36.7 m -86.72 85.57 7.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.895 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.258 0 CA-C-O 119.127 -0.818 . . . . 0.0 112.459 -179.964 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.7 p -155.46 176.71 12.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.847 0.356 . . . . 0.0 110.869 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.0 p -153.28 169.91 21.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.871 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.75 110.75 2.84 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.537 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.0 t -166.86 158.35 12.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.881 0.372 . . . . 0.0 110.857 -179.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 m -123.25 166.91 14.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.829 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.42 178.19 35.31 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.479 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -158.16 117.24 3.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.824 0.345 . . . . 0.0 110.85 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.439 ' O ' ' CG ' ' A' ' 10' ' ' ASP . 9.2 tp -125.81 159.79 31.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.927 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.439 ' CG ' ' O ' ' A' ' 9' ' ' LEU . 6.9 m-20 -162.39 122.89 2.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -88.39 15.76 7.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.3 mp -61.86 176.85 0.49 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.8 ptt180 -86.24 -31.84 21.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -58.21 167.4 1.32 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 32.7 m -102.41 38.53 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.175 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.419 ' O ' ' CD2' ' A' ' 25' ' ' PHE . 16.6 mt -43.88 -27.72 0.38 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -104.19 157.44 17.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.926 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.431 ' O ' ' HA ' ' A' ' 22' ' ' MET . 54.1 t -69.62 135.38 88.24 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.66 0.743 . . . . 0.0 110.864 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.493 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 53.1 Cg_endo -69.81 0.67 5.35 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.698 2.265 . . . . 0.0 112.304 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 35.2 mt -112.1 -73.92 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.149 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 6.5 p -75.77 -28.69 58.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.859 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.431 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 82.2 mmm 69.08 45.13 0.93 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -116.59 124.03 48.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 25' ' ' PHE . 58.4 p -39.66 105.19 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.823 -179.766 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.491 ' CG ' ' HB3' ' A' ' 32' ' ' PRO . 22.3 m-85 -35.79 98.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.872 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.428 ' CG2' ' O ' ' A' ' 24' ' ' SER . 30.6 p -97.11 98.21 9.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.165 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 26' ' ' THR . 2.2 tt0 -37.11 -39.44 0.25 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.924 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -46.66 -61.54 1.79 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.837 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -116.23 -73.01 0.66 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.943 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.8 mt -66.35 83.6 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.93 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 20.6 mtt85 -84.3 128.62 61.31 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.569 0.7 . . . . 0.0 110.915 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.491 ' HB3' ' CG ' ' A' ' 25' ' ' PHE . 53.8 Cg_endo -69.72 115.28 4.01 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.718 2.279 . . . . 0.0 112.363 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.459 ' CB ' HD22 ' A' ' 46' ' ' LEU . 14.0 mmmt -115.62 133.29 56.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.934 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 75' ' ' THR . 5.9 tp -96.03 131.92 41.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.452 HD22 ' CD1' ' A' ' 46' ' ' LEU . 93.3 mt -88.57 162.09 16.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.442 ' CG ' HG22 ' A' ' 66' ' ' THR . 23.8 m170 -62.96 -6.98 4.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 27.9 p -89.36 -46.99 8.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 142.59 -29.14 2.15 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.487 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 31.0 m170 -67.58 145.8 54.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.888 0.375 . . . . 0.0 110.87 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.612 ' HG1' ' ND2' ' A' ' 77' ' ' ASN . 67.2 m -108.11 127.78 54.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.503 HG21 ' N ' ' A' ' 42' ' ' CYS . 26.6 mt -133.57 149.38 30.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.503 ' N ' HG21 ' A' ' 41' ' ' ILE . 15.6 p -71.76 149.89 44.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.446 ' HG3' ' N ' ' A' ' 44' ' ' GLN . 4.7 ppt_? -51.97 -36.87 51.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.474 ' HB3' ' SG ' ' A' ' 42' ' ' CYS . 6.6 tt0 -54.02 -47.69 71.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.464 ' HB2' ' CG2' ' A' ' 41' ' ' ILE . 84.3 m -80.09 -37.72 33.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.459 HD22 ' CB ' ' A' ' 33' ' ' LYS . 11.4 tp -62.65 -33.68 75.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.946 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.424 ' CD ' HD23 ' A' ' 71' ' ' LEU . 5.9 mm-40 -69.02 -53.19 21.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.31 -32.24 47.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.941 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 89.4 mt -80.61 -42.46 22.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.915 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.9 tt -62.52 -40.11 95.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.937 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.0 -51.21 62.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.176 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.9 t -54.63 -59.44 4.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.816 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 m -62.96 173.6 1.33 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 16.4 tt -132.81 -32.29 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.12 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.5 ' O ' ' CG2' ' A' ' 65' ' ' ILE . 74.3 m-20 -106.71 42.31 1.31 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 118.45 -167.38 12.99 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.503 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 46.2 t -113.58 113.81 45.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.858 0.361 . . . . 0.0 111.151 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 27.6 ttm180 -78.84 113.21 16.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 63' ' ' SER . 30.2 t -74.6 122.6 87.87 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.643 0.735 . . . . 0.0 110.894 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 2.22 3.7 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.703 2.269 . . . . 0.0 112.365 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.493 ' CZ ' ' HB2' ' A' ' 19' ' ' PRO . 26.9 m-85 -104.37 -56.33 2.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.841 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 22.1 p -105.98 -26.62 11.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.886 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.407 ' HA ' ' O ' ' A' ' 59' ' ' CYS . 6.3 t 72.57 44.67 0.38 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.882 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 65' ' ' ILE . 50.3 mttt -106.83 90.87 3.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.868 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.5 ' CG2' ' O ' ' A' ' 55' ' ' ASN . 44.5 mm -36.7 121.94 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.13 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.442 HG22 ' CG ' ' A' ' 36' ' ' HIS . 1.5 m -98.16 83.01 3.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.146 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -59.88 83.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.406 ' N ' ' O ' ' A' ' 66' ' ' THR . 0.8 OUTLIER -130.51 -40.15 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.157 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 54.27 32.5 16.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.155 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.48 ' HB3' ' CG ' ' A' ' 73' ' ' GLN . 0.5 OUTLIER -172.84 125.74 0.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.84 -179.848 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.517 ' O ' ' CD1' ' A' ' 74' ' ' LEU . 43.1 mt -52.23 -36.84 53.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.942 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 10.0 t -78.64 -39.01 38.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.136 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.48 ' CG ' ' HB3' ' A' ' 70' ' ' SER . 5.2 mm100 -42.61 -63.44 0.78 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.517 ' CD1' ' O ' ' A' ' 71' ' ' LEU . 0.8 OUTLIER -50.99 179.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.953 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.446 ' O ' ' N ' ' A' ' 34' ' ' LEU . 23.1 m -83.84 133.93 34.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.164 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -81.93 151.04 27.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.906 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.612 ' ND2' ' HG1' ' A' ' 40' ' ' THR . 24.9 t-20 -117.57 67.28 0.74 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.456 ' C ' ' CD2' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -79.34 11.85 2.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.423 HG22 ' ND2' ' A' ' 77' ' ' ASN . 13.0 t -79.11 -29.75 43.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.174 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.477 HG23 ' CB ' ' A' ' 32' ' ' PRO . 17.3 m -73.33 -25.55 21.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.126 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.405 ' O ' ' C ' ' A' ' 82' ' ' LYS . 20.2 mt -88.69 -30.3 19.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.906 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 81' ' ' LEU . 3.0 tppp? -37.87 -57.72 0.99 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 17.9 t -175.17 154.94 1.85 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.854 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -93.52 -117.48 2.69 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.497 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 179.72 3.52 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.674 2.249 . . . . 0.0 112.324 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 98.8 p 43.8 41.23 3.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 93.8 p -86.85 -51.92 5.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.864 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 CA-C-O 119.085 -0.842 . . . . 0.0 112.462 179.962 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.6 t -128.39 107.55 9.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.906 0.384 . . . . 0.0 110.852 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.6 m -139.55 133.31 30.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.887 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.21 147.61 6.39 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.469 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.7 p -99.68 110.98 23.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.864 0.364 . . . . 0.0 110.862 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.7 t -105.22 158.38 16.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.834 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.99 132.5 1.46 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.476 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -110.4 90.83 3.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.861 0.363 . . . . 0.0 110.887 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.5 tp -138.83 158.23 44.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -141.01 119.15 11.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -87.73 15.27 7.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.113 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.9 mp -92.44 154.04 18.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -106.1 39.14 1.86 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -126.26 161.0 28.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 31.6 m -102.51 36.0 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.118 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 24.1 mt -43.87 -23.75 0.1 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -108.81 159.44 16.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.478 ' O ' ' HA ' ' A' ' 22' ' ' MET . 54.0 t -72.71 135.03 81.21 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.606 0.717 . . . . 0.0 110.875 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.418 ' C ' ' HE3' ' A' ' 22' ' ' MET . 54.0 Cg_endo -69.7 1.06 4.73 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.712 2.274 . . . . 0.0 112.357 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 36.7 mt -112.48 -74.75 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.157 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 7.0 p -74.32 -23.84 59.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.478 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 6.0 mmt 67.81 49.28 0.95 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.423 ' HB3' ' CD1' ' A' ' 30' ' ' LEU . 9.7 mm-40 -123.07 140.88 52.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.894 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -51.9 137.06 27.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.527 ' CG ' ' HB3' ' A' ' 32' ' ' PRO . 22.4 m-85 -76.55 102.46 6.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -117.67 142.6 47.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.114 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.412 ' CD ' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -83.62 34.73 0.49 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -122.77 -45.38 2.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.882 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -128.09 -46.91 1.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.473 HD21 ' NE2' ' A' ' 44' ' ' GLN . 5.4 mt -113.65 89.76 3.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.885 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 23.5 mtp85 -82.21 130.02 61.45 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.575 0.702 . . . . 0.0 110.895 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.527 ' HB3' ' CG ' ' A' ' 25' ' ' PHE . 53.7 Cg_endo -69.72 129.36 17.5 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.679 2.253 . . . . 0.0 112.341 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.6 mmmt -130.93 133.32 45.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.443 ' CD1' ' O ' ' A' ' 38' ' ' GLY . 6.8 tp -100.72 129.89 46.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 91.1 mt -85.3 162.48 19.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 16.3 m170 -58.62 -10.26 2.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.848 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.445 ' CB ' ' SG ' ' A' ' 62' ' ' CYS . 27.6 p -88.62 -47.1 8.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.902 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.443 ' O ' ' CD1' ' A' ' 34' ' ' LEU . . . 140.88 -28.11 2.41 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.526 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.437 ' CE1' ' HB3' ' A' ' 61' ' ' PHE . 28.6 m170 -63.02 143.08 58.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.92 0.39 . . . . 0.0 110.829 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 89.3 m -106.28 123.4 47.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.151 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.452 HG22 ' N ' ' A' ' 42' ' ' CYS . 8.1 mt -131.82 146.82 32.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.127 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.452 ' N ' HG22 ' A' ' 41' ' ' ILE . 17.0 p -71.07 137.4 48.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.891 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.411 ' HD2' ' C ' ' A' ' 43' ' ' ARG . 0.7 OUTLIER -42.75 -32.99 0.66 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.93 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.473 ' NE2' HD21 ' A' ' 30' ' ' LEU . 4.5 tt0 -58.43 -47.22 84.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.449 ' HB2' ' CG2' ' A' ' 41' ' ' ILE . 55.4 m -75.9 -38.4 57.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.842 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.474 HD21 ' CD2' ' A' ' 71' ' ' LEU . 5.5 tp -63.86 -40.64 97.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.403 ' CD ' HD12 ' A' ' 71' ' ' LEU . 4.3 mm-40 -56.79 -49.7 74.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -52.33 -36.82 54.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 80.2 mt -76.87 -51.91 10.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.0 tt -52.68 -40.36 62.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.8 -66.44 0.38 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.087 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.8 m -53.62 -66.53 0.38 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 17.2 m -54.55 162.34 1.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.822 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.428 HG21 ' N ' ' A' ' 55' ' ' ASN . 13.3 tt -129.06 -41.37 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.138 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.471 ' O ' ' CG2' ' A' ' 65' ' ' ILE . 62.8 m-20 -90.72 40.67 1.03 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 120.79 -167.88 13.96 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.472 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 60.0 t -120.44 112.84 38.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.836 0.351 . . . . 0.0 111.143 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -72.72 119.86 17.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.413 ' O ' ' HA ' ' A' ' 63' ' ' SER . 49.5 t -79.54 125.94 81.76 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.627 0.727 . . . . 0.0 110.906 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 2.76 3.25 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.664 2.243 . . . . 0.0 112.376 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.437 ' HB3' ' CE1' ' A' ' 39' ' ' HIS . 27.9 m-85 -106.45 -62.52 1.38 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.445 ' SG ' ' CB ' ' A' ' 37' ' ' CYS . 25.5 p -104.24 -21.44 13.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.413 ' HA ' ' O ' ' A' ' 59' ' ' CYS . 19.4 m 67.49 49.53 1.0 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.477 ' O ' ' C ' ' A' ' 65' ' ' ILE . 61.1 mttt -105.37 87.54 2.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.852 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.477 ' C ' ' O ' ' A' ' 64' ' ' LYS . 48.7 mm -31.81 120.15 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.125 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 4.3 m -98.77 88.42 4.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -57.32 92.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.865 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.496 HG23 ' N ' ' A' ' 74' ' ' LEU . 3.0 pt -156.07 108.49 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.152 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 9.4 t -67.54 -25.92 66.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.104 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.2 t -113.83 163.08 15.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.474 ' CD2' HD21 ' A' ' 46' ' ' LEU . 47.1 mt -76.74 -26.87 55.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.952 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 8.8 t -84.58 -21.56 30.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.127 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -53.77 -50.49 65.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.496 ' N ' HG23 ' A' ' 68' ' ' ILE . 0.6 OUTLIER -56.76 -174.86 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.408 ' O ' ' N ' ' A' ' 34' ' ' LEU . 91.1 m -83.72 124.81 31.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.157 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -72.87 152.91 41.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.877 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -130.47 64.47 1.55 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.45 ' CD2' ' N ' ' A' ' 79' ' ' THR . 0.0 OUTLIER -75.04 -9.95 59.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.93 179.923 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.45 ' N ' ' CD2' ' A' ' 78' ' ' LEU . 10.0 t -51.09 -45.78 61.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.183 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.469 HG21 ' CB ' ' A' ' 25' ' ' PHE . 19.0 m -61.19 -33.32 55.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.6 mt -73.27 -37.04 66.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 15.3 tptp -64.3 138.15 58.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.8 m -115.17 135.06 54.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 152.48 146.84 4.45 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.482 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 -47.52 0.93 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.709 2.273 . . . . 0.0 112.388 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 7.2 t -113.17 98.04 6.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 31.3 t -70.27 125.18 26.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 CA-C-O 119.123 -0.821 . . . . 0.0 112.461 179.997 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 m -138.42 161.06 37.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.88 0.371 . . . . 0.0 110.867 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 t -154.52 156.75 37.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.69 115.19 0.32 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.513 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.1 p -121.75 164.14 17.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.835 0.35 . . . . 0.0 110.894 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.2 t -64.85 96.1 0.17 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.02 73.67 0.21 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.487 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -167.28 111.71 0.71 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.835 0.35 . . . . 0.0 110.871 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.453 ' HG ' ' N ' ' A' ' 10' ' ' ASP . 6.8 tp -49.7 150.18 2.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.453 ' N ' ' HG ' ' A' ' 9' ' ' LEU . 2.0 m-20 -110.71 102.84 11.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 179.82 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -118.7 -31.44 4.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.082 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -54.75 150.1 10.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.9 ptm180 -101.44 -22.01 14.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -69.17 163.12 25.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' A' ' 17' ' ' GLU . 34.6 m -100.34 35.11 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.163 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.6 mt -40.32 -26.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.919 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 15' ' ' VAL . 10.8 mt-10 -105.77 147.28 28.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.44 ' O ' ' HA ' ' A' ' 22' ' ' MET . 51.7 t -67.82 135.82 92.29 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.621 0.724 . . . . 0.0 110.867 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.441 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 53.9 Cg_endo -69.77 1.3 4.56 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.672 2.248 . . . . 0.0 112.321 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 37.4 mt -114.94 -74.81 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.171 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.41 ' SG ' ' HB3' ' A' ' 18' ' ' CYS . 14.6 p -73.97 -25.32 59.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.902 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.44 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 12.6 mmt 64.17 46.73 3.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -119.21 123.08 43.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.904 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 19.8 m -43.35 109.58 0.15 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -44.77 118.77 1.71 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.879 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.3 p -94.33 -174.63 3.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.118 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -78.65 -36.8 43.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.463 ' O ' ' C ' ' A' ' 29' ' ' GLN . 6.3 mp0 -130.94 -61.13 0.95 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.463 ' C ' ' O ' ' A' ' 28' ' ' GLU . 29.0 tp60 -32.01 -61.03 0.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.944 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.483 ' CD2' ' NE2' ' A' ' 44' ' ' GLN . 9.7 mt -129.65 80.62 1.97 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.8 mmt180 -72.63 131.62 84.24 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.629 0.728 . . . . 0.0 110.885 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.474 ' HG3' ' CG2' ' A' ' 80' ' ' VAL . 53.4 Cg_endo -69.74 138.46 37.93 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.756 2.304 . . . . 0.0 112.322 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.2 mmmt -134.52 134.88 41.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.884 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' A' ' 75' ' ' THR . 7.4 tp -105.1 126.18 51.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.936 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 93.5 mt -82.81 162.53 21.64 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.563 ' CD2' HG22 ' A' ' 66' ' ' THR . 14.9 m170 -61.25 -7.62 3.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.463 ' CB ' ' SG ' ' A' ' 62' ' ' CYS . 30.2 p -89.66 -46.63 8.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 142.52 -30.98 2.06 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.491 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 28.1 m170 -61.85 145.83 51.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.892 0.377 . . . . 0.0 110.882 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 86.1 m -109.61 122.71 48.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.136 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.473 HG22 ' N ' ' A' ' 42' ' ' CYS . 13.8 mt -131.91 147.18 32.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.16 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.473 ' N ' HG22 ' A' ' 41' ' ' ILE . 19.5 p -71.77 143.17 49.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.921 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 5.2 ppt_? -46.12 -35.62 5.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.483 ' NE2' ' CD2' ' A' ' 30' ' ' LEU . 7.4 tt0 -54.62 -52.92 60.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.912 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.455 ' HB2' ' CG2' ' A' ' 41' ' ' ILE . 68.8 m -70.4 -44.54 67.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.473 HD21 ' CD2' ' A' ' 74' ' ' LEU . 4.8 tp -58.3 -38.85 77.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.435 ' CD ' HD13 ' A' ' 71' ' ' LEU . 4.2 mm-40 -59.46 -54.14 50.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.16 -38.48 5.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.913 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 71.0 mt -78.64 -56.9 4.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.42 ' CB ' HG23 ' A' ' 57' ' ' VAL . 2.6 tt -45.96 -30.34 1.75 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.945 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -75.66 -35.47 60.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.124 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.4 m -115.1 38.71 3.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.883 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.2 t -116.38 -176.14 2.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.465 HG22 ' ND2' ' A' ' 55' ' ' ASN . 14.7 tt -145.23 138.14 21.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.157 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.465 ' ND2' HG22 ' A' ' 54' ' ' ILE . 7.0 p30 45.92 29.39 0.73 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 141.66 -161.35 27.04 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.492 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.42 HG23 ' CB ' ' A' ' 50' ' ' LEU . 83.4 t -123.82 103.71 13.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.887 0.375 . . . . 0.0 111.15 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 23.2 ttt180 -61.75 135.55 57.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.865 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.455 ' O ' ' HA ' ' A' ' 63' ' ' SER . 49.7 t -89.25 130.91 42.33 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.689 0.756 . . . . 0.0 110.868 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 3.6 2.68 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.683 2.255 . . . . 0.0 112.338 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.441 ' CZ ' ' HB2' ' A' ' 19' ' ' PRO . 35.6 m-85 -115.23 -67.39 1.0 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.463 ' SG ' ' CB ' ' A' ' 37' ' ' CYS . 27.3 p -96.44 -15.38 21.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.455 ' HA ' ' O ' ' A' ' 59' ' ' CYS . 18.1 p 59.25 43.93 16.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.895 -179.789 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.5 ' O ' ' C ' ' A' ' 65' ' ' ILE . 8.1 mtpm? -97.49 86.77 3.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.5 ' C ' ' O ' ' A' ' 64' ' ' LYS . 42.8 mm -29.97 120.38 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.137 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.563 HG22 ' CD2' ' A' ' 36' ' ' HIS . 2.2 m -98.0 85.71 3.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.101 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.17 91.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.48 HD11 ' CG ' ' A' ' 74' ' ' LEU . 1.4 pt -154.65 111.83 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.116 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.6 t -68.04 -29.26 68.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.155 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -115.05 158.52 21.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.855 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.435 HD13 ' CD ' ' A' ' 47' ' ' GLU . 86.5 mt -68.33 -32.3 72.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.926 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 14.7 t -78.62 -28.23 45.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.188 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -45.15 -56.06 5.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.941 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.48 ' CG ' HD11 ' A' ' 68' ' ' ILE . 1.0 OUTLIER -55.22 -174.25 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.43 ' O ' ' N ' ' A' ' 34' ' ' LEU . 94.5 m -82.84 125.3 31.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -76.88 152.09 35.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -122.86 66.8 0.96 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.873 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.523 ' C ' ' CD2' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -80.97 14.27 2.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.944 179.92 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.9 t -82.42 -27.94 31.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.474 ' CG2' ' HG3' ' A' ' 32' ' ' PRO . 16.0 m -76.77 -30.35 18.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.088 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.7 mt -71.75 -40.1 69.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.933 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 14.1 mmtp -81.32 149.12 29.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 58.3 m -91.12 40.47 1.03 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.845 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 145.53 163.79 10.4 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.471 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 145.12 56.11 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.71 2.274 . . . . 0.0 112.358 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 13.5 t -51.99 160.0 0.79 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.911 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 27.6 p -130.67 -31.52 1.77 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 CA-C-O 119.135 -0.814 . . . . 0.0 112.474 179.992 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.7 p -154.83 172.47 17.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.918 0.39 . . . . 0.0 110.84 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.9 p -140.98 148.34 40.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.873 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.2 178.0 27.76 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.498 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 t -172.77 111.05 0.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.9 0.381 . . . . 0.0 110.86 -179.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.2 m -64.08 90.01 0.06 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.853 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.75 84.1 0.14 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.508 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -157.36 131.88 8.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.871 0.367 . . . . 0.0 110.899 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.449 HD23 ' N ' ' A' ' 10' ' ' ASP . 9.6 tt -171.62 161.07 6.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.948 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.449 ' N ' HD23 ' A' ' 9' ' ' LEU . 13.3 t0 -148.6 124.71 10.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.88 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -97.29 -31.61 12.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.075 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -65.29 174.73 1.96 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.897 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.9 ptp85 -89.67 -27.03 20.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -63.99 156.12 28.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.2 m -99.3 43.27 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.163 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 14.5 mt -50.83 -26.85 6.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -109.05 149.14 29.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.44 ' O ' ' HA ' ' A' ' 22' ' ' MET . 52.9 t -62.35 135.22 95.14 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.599 0.714 . . . . 0.0 110.868 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.468 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 53.8 Cg_endo -69.77 -0.75 7.38 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.703 2.268 . . . . 0.0 112.366 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 54.4 mt -112.26 -74.51 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.4 ' SG ' ' HB3' ' A' ' 18' ' ' CYS . 13.0 p -74.59 -29.22 61.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.44 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 17.0 mmt 67.51 47.08 1.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 24' ' ' SER . 16.9 mt-10 -119.9 122.0 40.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.93 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 23' ' ' GLU . 6.2 m -34.67 133.3 0.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.786 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.515 ' CG ' ' HB3' ' A' ' 32' ' ' PRO . 35.5 m-85 -72.85 106.64 4.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.903 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.0 t -112.71 141.92 45.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.154 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -84.95 42.14 0.91 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -131.92 -43.26 0.99 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -130.83 -54.19 1.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.411 HD23 ' NE2' ' A' ' 44' ' ' GLN . 14.2 mt -99.66 97.3 8.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.1 mmm180 -92.31 130.39 37.8 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.596 0.713 . . . . 0.0 110.835 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.515 ' HB3' ' CG ' ' A' ' 25' ' ' PHE . 53.4 Cg_endo -69.79 125.36 12.05 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.723 2.282 . . . . 0.0 112.318 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.6 mmmt -124.8 135.84 53.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.923 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.1 tp -101.23 135.6 42.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.47 HD21 ' CD1' ' A' ' 46' ' ' LEU . 71.5 mt -91.47 162.55 14.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.557 ' CD2' HG22 ' A' ' 66' ' ' THR . 32.0 m170 -60.88 -9.49 4.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.829 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 28.1 p -89.86 -44.06 10.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 139.2 -30.51 2.43 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.518 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 26.5 m170 -61.15 142.85 56.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.852 0.358 . . . . 0.0 110.832 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 86.1 m -106.58 129.77 54.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.12 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.472 HG21 ' N ' ' A' ' 42' ' ' CYS . 13.3 mt -139.1 150.15 23.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.158 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.472 ' N ' HG21 ' A' ' 41' ' ' ILE . 17.0 p -73.49 144.05 46.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.42 ' HG3' ' N ' ' A' ' 44' ' ' GLN . 2.0 ppt_? -46.99 -37.84 9.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.841 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.426 ' HB3' ' SG ' ' A' ' 42' ' ' CYS . 5.2 tt0 -52.15 -53.75 39.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.448 ' HB2' ' CG2' ' A' ' 41' ' ' ILE . 74.0 m -70.55 -40.6 73.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.47 ' CD1' HD21 ' A' ' 35' ' ' LEU . 5.9 tp -62.78 -30.15 71.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.428 ' CD ' HD11 ' A' ' 71' ' ' LEU . 4.8 mm-40 -69.37 -50.57 44.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.16 -31.38 42.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 81.5 mt -80.04 -46.78 15.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.93 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.8 tt -60.82 -41.02 94.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.943 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.0 -62.21 1.86 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.146 179.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.8 t -59.6 -37.37 78.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.828 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 24.6 p -58.01 -174.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.859 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.4 tp -115.52 -53.69 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.113 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.556 ' ND2' ' N ' ' A' ' 56' ' ' GLY . 0.6 OUTLIER -134.81 -37.03 0.83 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.818 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.556 ' N ' ' ND2' ' A' ' 55' ' ' ASN . . . -114.77 154.86 16.72 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.507 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 54.2 t -96.71 120.61 46.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.821 0.344 . . . . 0.0 111.184 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 56.3 ttm-85 -83.27 115.14 21.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.448 ' O ' ' N ' ' A' ' 63' ' ' SER . 14.3 t -74.77 119.41 76.62 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.627 0.727 . . . . 0.0 110.891 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 4.14 2.39 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.722 2.281 . . . . 0.0 112.309 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.468 ' CZ ' ' HB2' ' A' ' 19' ' ' PRO . 25.4 m-85 -103.42 -53.56 2.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.848 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 20.5 p -108.55 -15.28 14.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 59' ' ' CYS . 4.5 p 67.4 35.84 4.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.824 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.3 mtpt -107.98 125.04 51.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.856 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.422 ' CG2' ' HA3' ' A' ' 56' ' ' GLY . 29.7 mm -69.47 125.73 28.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.129 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.557 HG22 ' CD2' ' A' ' 36' ' ' HIS . 4.8 m -73.26 -32.87 64.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 8.2 mmm180 64.44 54.96 1.43 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.839 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.478 HG21 ' CA ' ' A' ' 74' ' ' LEU . 0.9 OUTLIER -127.53 134.16 66.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.158 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 8.8 t -98.88 26.54 5.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.161 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 10.6 t -172.63 149.97 2.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.459 HD23 ' CD2' ' A' ' 46' ' ' LEU . 73.6 mt -64.12 -34.62 78.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.927 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 10.0 t -80.78 -20.34 42.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.407 ' CD ' HG22 ' A' ' 68' ' ' ILE . 0.0 OUTLIER -55.91 -62.92 1.37 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.478 ' CA ' HG21 ' A' ' 68' ' ' ILE . 1.3 pp -50.24 -176.55 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 34.3 m -84.25 135.46 34.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.161 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -79.05 160.42 27.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.847 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -128.68 65.58 1.42 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.494 ' C ' ' CD2' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -80.91 9.57 6.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.2 t -79.13 -18.99 52.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.446 HG23 ' CB ' ' A' ' 32' ' ' PRO . 11.7 m -82.27 -21.03 9.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 28.5 mt -83.55 -37.52 22.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.948 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -55.24 135.15 49.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.863 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 44.4 t -40.68 -49.53 3.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 85.35 125.05 1.45 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.47 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 142.29 47.38 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.706 2.27 . . . . 0.0 112.349 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 64.6 p -128.87 42.19 3.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 79.6 p -108.05 42.57 1.34 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.822 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 CA-C-O 119.116 -0.824 . . . . 0.0 112.442 179.962 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.9 p -173.04 175.97 3.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.861 0.362 . . . . 0.0 110.883 -179.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -170.89 160.38 6.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.846 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.45 -133.14 1.44 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.511 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.2 t 39.63 42.17 0.89 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.956 0.408 . . . . 0.0 110.89 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.0 t -49.53 105.36 0.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.877 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.79 111.93 2.75 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.504 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -98.05 113.57 25.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.906 0.384 . . . . 0.0 110.891 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -164.91 149.01 8.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -155.09 126.82 7.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.84 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.27 -60.01 2.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.14 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.425 ' N ' HD21 ' A' ' 12' ' ' LEU . 3.8 mm? -57.66 174.5 0.23 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.6 ptp180 -117.6 39.98 3.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.831 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -125.08 170.55 11.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.901 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.468 ' O ' ' N ' ' A' ' 17' ' ' GLU . 33.9 m -101.67 31.83 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 39.2 mt -40.5 -24.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 15' ' ' VAL . 3.6 mt-10 -108.29 161.72 14.75 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.447 ' O ' ' HA ' ' A' ' 22' ' ' MET . 53.3 t -78.4 135.61 61.09 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.594 0.711 . . . . 0.0 110.908 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.566 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 53.9 Cg_endo -69.72 -0.71 7.27 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.73 2.287 . . . . 0.0 112.371 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 28.9 mt -110.73 -74.56 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.133 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.4 ' O ' ' HB2' ' A' ' 22' ' ' MET . 5.7 p -75.29 -31.06 60.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.447 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 33.8 mmm 74.94 46.16 0.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -118.89 131.95 56.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.928 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.2 t -50.2 129.52 21.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.845 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -66.21 111.41 3.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.4 p -98.89 147.87 24.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -63.9 -29.62 70.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.859 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -81.43 -69.73 0.59 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.431 ' O ' ' C ' ' A' ' 30' ' ' LEU . 3.4 tt0 -105.23 -175.37 2.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.468 HD22 ' NE2' ' A' ' 44' ' ' GLN . 23.3 mt 35.02 39.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.959 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.72 134.54 27.16 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.594 0.712 . . . . 0.0 110.892 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.492 ' CB ' ' CG2' ' A' ' 80' ' ' VAL . 53.6 Cg_endo -69.77 133.16 24.89 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.694 2.263 . . . . 0.0 112.36 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.1 mmmt -135.2 135.69 41.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.861 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.405 ' O ' ' O ' ' A' ' 75' ' ' THR . 5.5 tp -105.42 135.46 46.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.941 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 71.7 mt -94.46 162.48 13.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.552 ' CD2' ' CG2' ' A' ' 66' ' ' THR . 25.0 m170 -60.8 -8.42 3.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.504 ' CB ' ' SG ' ' A' ' 62' ' ' CYS . 29.8 p -89.61 -46.55 8.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.903 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 141.17 -30.49 2.24 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.519 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 29.3 m170 -62.92 147.02 51.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.869 0.366 . . . . 0.0 110.819 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.6 ' HG1' ' ND2' ' A' ' 77' ' ' ASN . 24.2 m -113.65 117.63 32.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.201 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.491 ' CG2' ' HB2' ' A' ' 45' ' ' CYS . 44.9 mt -121.44 151.05 24.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.153 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.452 ' SG ' ' HB3' ' A' ' 44' ' ' GLN . 19.3 p -72.6 138.93 47.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.533 ' HG3' ' N ' ' A' ' 44' ' ' GLN . 3.7 ptt180 -44.69 -31.68 1.26 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.533 ' N ' ' HG3' ' A' ' 43' ' ' ARG . 6.6 tt0 -59.06 -52.95 63.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.491 ' HB2' ' CG2' ' A' ' 41' ' ' ILE . 69.4 m -70.6 -37.87 73.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.454 ' CD2' HD22 ' A' ' 74' ' ' LEU . 5.6 tp -63.01 -43.27 99.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -56.36 -49.24 74.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -55.74 -29.59 59.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 77.6 mt -80.64 -51.18 9.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.7 tt -59.44 -40.16 85.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -42.08 -61.6 1.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.0 t -69.47 -57.21 5.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 58.5 m -53.25 154.2 3.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.824 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 15.8 tt -133.57 -35.49 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.105 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 71.8 m-80 -100.95 43.88 1.04 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.937 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.465 ' HA3' ' CG2' ' A' ' 65' ' ' ILE . . . 109.85 153.04 14.25 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.481 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 84.7 t -91.32 114.43 28.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.777 0.322 . . . . 0.0 111.113 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 35.9 ttt180 -78.68 113.54 16.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.459 ' O ' ' HA ' ' A' ' 63' ' ' SER . 43.7 t -66.07 126.26 91.58 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.636 0.731 . . . . 0.0 110.875 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 4.01 2.46 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.725 2.283 . . . . 0.0 112.354 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.566 ' CZ ' ' HB2' ' A' ' 19' ' ' PRO . 38.6 m-85 -107.93 -60.28 1.73 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.504 ' SG ' ' CB ' ' A' ' 37' ' ' CYS . 22.2 p -104.04 -16.35 15.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.459 ' HA ' ' O ' ' A' ' 59' ' ' CYS . 19.0 m 58.65 51.6 7.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.867 -179.799 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.453 ' O ' ' C ' ' A' ' 65' ' ' ILE . 91.7 mttt -113.55 90.1 3.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.465 ' CG2' ' HA3' ' A' ' 56' ' ' GLY . 45.3 mm -33.25 124.73 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.552 ' CG2' ' CD2' ' A' ' 36' ' ' HIS . 11.7 m -83.56 -29.12 28.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.128 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.5 mmt180 63.93 55.03 1.64 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.477 HG23 ' N ' ' A' ' 74' ' ' LEU . 2.5 pt -129.57 113.21 26.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.155 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.2 p -61.25 -41.37 96.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.139 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.8 p -110.31 -179.56 3.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.839 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 27.4 mt -85.29 -45.94 11.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.913 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 10.6 t -62.09 -10.31 9.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.128 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -69.25 -65.42 0.71 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.477 ' N ' HG23 ' A' ' 68' ' ' ILE . 0.6 OUTLIER -46.2 173.07 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.405 ' O ' ' O ' ' A' ' 34' ' ' LEU . 93.2 m -69.26 130.26 42.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.154 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -81.48 146.75 30.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.6 ' ND2' ' HG1' ' A' ' 40' ' ' THR . 22.9 t-20 -115.37 68.47 0.71 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.941 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.489 ' C ' ' CD2' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -81.28 14.44 2.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 14.2 t -88.19 -18.1 29.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.15 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.492 ' CG2' ' CB ' ' A' ' 32' ' ' PRO . 9.8 m -84.19 -19.19 9.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.17 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 92.8 mt -91.68 -33.39 15.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.942 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.94 162.3 18.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 9.0 t -121.78 104.03 9.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.462 ' C ' ' H ' ' A' ' 86' ' ' SER . . . -64.47 143.47 47.11 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.511 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.524 ' O ' ' C ' ' A' ' 86' ' ' SER . 52.9 Cg_endo -69.8 14.24 0.27 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.66 2.24 . . . . 0.0 112.313 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.524 ' C ' ' O ' ' A' ' 85' ' ' PRO . 16.3 m -28.24 -44.6 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 85' ' ' PRO . 3.6 m -145.15 114.53 7.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.865 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 CA-C-O 119.139 -0.811 . . . . 0.0 112.516 -179.975 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.1 t -170.23 162.3 8.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.918 0.389 . . . . 0.0 110.844 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.2 t -129.14 -50.15 1.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.849 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.32 -178.22 22.55 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.537 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.8 p -153.62 133.32 13.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.894 0.378 . . . . 0.0 110.798 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.9 p -167.54 138.45 2.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.86 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.67 -162.18 0.13 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.47 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -160.81 157.49 26.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.856 0.36 . . . . 0.0 110.912 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -170.8 146.72 2.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -156.81 119.59 4.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.852 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.65 -47.75 11.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.08 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.2 mt -40.37 161.43 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.3 ptp85 -110.66 -17.96 13.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -60.68 160.89 8.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.407 ' O ' ' CG2' ' A' ' 15' ' ' VAL . 15.4 m -123.74 49.94 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.133 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 62.9 mt -49.17 -20.67 0.63 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -118.56 138.33 52.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.443 ' O ' ' HA ' ' A' ' 22' ' ' MET . 53.6 t -51.46 134.25 33.81 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.639 0.733 . . . . 0.0 110.862 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.418 ' CD ' ' O ' ' A' ' 40' ' ' THR . 54.2 Cg_endo -69.77 0.08 6.16 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.706 2.271 . . . . 0.0 112.366 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 59.4 mt -111.67 -74.79 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.412 ' SG ' ' HB3' ' A' ' 18' ' ' CYS . 9.7 p -73.7 -29.32 62.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.443 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 47.9 mmm 71.71 47.18 0.35 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -119.02 138.74 52.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.899 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 28.6 p -50.0 133.28 22.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.839 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.508 ' CG ' ' HB3' ' A' ' 32' ' ' PRO . 36.9 m-85 -76.07 101.6 5.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.95 136.03 54.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.181 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 23.2 mp0 -76.34 47.15 0.45 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.896 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -133.56 -39.63 0.89 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.861 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -134.36 -41.55 0.8 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.924 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.458 HD23 ' NE2' ' A' ' 44' ' ' GLN . 2.5 mt -121.52 111.14 16.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.7 mmt85 -100.91 130.59 24.84 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.562 0.696 . . . . 0.0 110.933 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.508 ' HB3' ' CG ' ' A' ' 25' ' ' PHE . 53.6 Cg_endo -69.78 127.89 15.21 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.703 2.269 . . . . 0.0 112.302 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.8 mmmt -122.55 143.68 49.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.408 ' O ' ' O ' ' A' ' 75' ' ' THR . 4.8 tp -111.44 131.27 55.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 88.7 mt -93.64 162.94 13.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.568 ' CD2' HG22 ' A' ' 66' ' ' THR . 15.7 m170 -61.99 -7.95 4.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 29.4 p -87.7 -44.72 10.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 137.35 -29.33 2.71 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.523 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 27.6 m170 -65.5 144.18 57.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.894 0.378 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.418 ' O ' ' CD ' ' A' ' 19' ' ' PRO . 30.1 m -108.08 128.14 54.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.146 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.456 HG23 ' N ' ' A' ' 42' ' ' CYS . 9.9 mt -135.64 149.73 28.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.169 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.456 ' N ' HG23 ' A' ' 41' ' ' ILE . 17.5 p -72.0 148.12 46.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.918 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.513 ' HG3' ' N ' ' A' ' 44' ' ' GLN . 0.3 OUTLIER -52.33 -31.89 35.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 -179.942 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.513 ' N ' ' HG3' ' A' ' 43' ' ' ARG . 5.1 tt0 -58.77 -45.87 88.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.426 ' HB2' ' CG2' ' A' ' 41' ' ' ILE . 90.5 m -80.3 -34.01 37.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.428 ' CD2' HD23 ' A' ' 71' ' ' LEU . 6.5 tp -66.22 -36.4 82.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -62.62 -50.14 72.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.89 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -52.45 -38.05 58.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.869 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 36.9 mt -71.39 -54.64 10.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.6 tt -53.81 -43.38 69.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -43.38 -61.76 1.26 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 26.9 t -61.79 -70.29 0.2 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 23.9 m -49.84 164.08 0.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.817 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.454 HG21 ' N ' ' A' ' 55' ' ' ASN . 12.5 tt -132.87 -43.9 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.108 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.454 ' N ' HG21 ' A' ' 54' ' ' ILE . 28.7 m120 -89.84 44.05 1.18 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.464 ' HA3' ' CG2' ' A' ' 65' ' ' ILE . . . 120.09 -167.03 13.57 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.487 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 98.7 t -124.42 120.16 58.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.852 0.358 . . . . 0.0 111.097 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 39.9 ttp180 -81.43 119.12 23.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.42 ' O ' ' HA ' ' A' ' 63' ' ' SER . 41.2 t -77.21 122.67 86.57 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.611 0.719 . . . . 0.0 110.876 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 3.71 2.61 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.682 2.254 . . . . 0.0 112.341 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -106.62 -57.63 2.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.407 ' O ' ' HB3' ' A' ' 63' ' ' SER . 24.7 p -104.91 -24.74 12.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.42 ' HA ' ' O ' ' A' ' 59' ' ' CYS . 8.2 t 74.86 43.09 0.24 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 34.0 mtpt -111.9 108.72 18.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.898 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.464 ' CG2' ' HA3' ' A' ' 56' ' ' GLY . 35.6 mm -52.6 127.95 10.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.145 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.568 HG22 ' CD2' ' A' ' 36' ' ' HIS . 16.2 m -74.12 -28.22 61.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.179 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 62.52 54.6 2.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.472 HG12 ' CG2' ' A' ' 66' ' ' THR . 1.6 pt -132.7 146.21 33.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.123 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.1 p -88.97 -38.92 14.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.101 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.3 t -117.67 168.3 10.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.801 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.428 HD23 ' CD2' ' A' ' 46' ' ' LEU . 10.3 mt -72.91 -29.77 63.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.906 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 8.1 t -76.47 -25.19 54.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.115 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 11.0 mm100 -57.98 -58.67 7.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.916 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.472 ' CA ' HG22 ' A' ' 68' ' ' ILE . 1.4 pp -52.42 173.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.408 ' O ' ' O ' ' A' ' 34' ' ' LEU . 96.9 m -70.53 131.78 44.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.156 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -84.18 148.06 26.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.445 ' ND2' HG21 ' A' ' 79' ' ' THR . 26.1 t-20 -117.26 70.34 0.78 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.488 ' C ' ' CD2' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -86.18 16.04 4.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.953 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.445 HG21 ' ND2' ' A' ' 77' ' ' ASN . 14.9 t -81.05 -34.69 32.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.155 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.476 HG22 ' CB ' ' A' ' 25' ' ' PHE . 14.1 m -69.54 -27.62 34.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.124 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 13.3 mt -77.4 -35.66 54.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 38.5 mmtt -72.58 144.78 47.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 31.6 m -104.15 95.3 5.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 74.22 154.78 3.72 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.494 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 126.63 13.51 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.693 2.262 . . . . 0.0 112.306 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 93.0 p -129.76 -44.96 1.18 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 97.2 p -133.46 -44.38 0.83 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.844 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 CA-C-O 119.16 -0.8 . . . . 0.0 112.493 179.996 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.5 m -59.69 -56.44 21.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.884 0.373 . . . . 0.0 110.899 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 m -166.49 166.23 16.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.4 175.04 21.45 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.505 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.4 t -127.35 172.06 10.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.89 0.376 . . . . 0.0 110.861 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.4 p -149.66 172.96 14.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.97 161.0 18.42 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.513 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -157.99 142.81 16.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.866 0.365 . . . . 0.0 110.893 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.6 tp -174.6 128.83 0.33 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.942 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -140.98 118.45 11.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -118.4 -47.57 2.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.468 HD23 ' N ' ' A' ' 12' ' ' LEU . 4.5 mm? -78.71 164.59 24.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -101.1 40.32 1.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -120.26 153.65 36.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 28.9 m -94.91 42.34 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.114 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.7 mt -50.54 -21.88 1.72 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.968 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -111.14 145.5 38.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.906 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.447 ' O ' ' HA ' ' A' ' 22' ' ' MET . 53.5 t -56.86 135.88 79.24 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.652 0.739 . . . . 0.0 110.873 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.406 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 53.8 Cg_endo -69.73 -0.85 7.48 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.64 2.227 . . . . 0.0 112.34 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.416 ' CD1' HG22 ' A' ' 41' ' ' ILE . 60.0 mt -112.82 -73.89 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.151 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.3 p -75.92 -29.34 58.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.447 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 8.2 mtp 69.71 44.1 0.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.851 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 24' ' ' SER . 12.2 mt-10 -115.12 124.78 52.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.929 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 23' ' ' GLU . 74.2 p -34.71 122.52 0.53 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.816 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.468 ' CB ' HG23 ' A' ' 80' ' ' VAL . 18.8 m-85 -59.87 106.13 0.46 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.892 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 26.4 p -102.59 132.76 48.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.112 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -69.39 -17.16 63.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -69.69 -55.46 9.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -125.74 -71.31 0.7 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.949 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.402 ' CD2' ' NE2' ' A' ' 44' ' ' GLN . 30.8 mt -65.35 80.97 0.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.917 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.5 mmm-85 -88.49 132.38 39.19 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.654 0.74 . . . . 0.0 110.826 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.482 ' HG3' ' CG2' ' A' ' 80' ' ' VAL . 53.6 Cg_endo -69.78 110.0 2.45 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.676 2.251 . . . . 0.0 112.372 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.7 mmmt -108.93 134.08 52.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.875 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.402 ' O ' ' O ' ' A' ' 75' ' ' THR . 6.6 tp -100.62 123.83 45.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.932 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.465 HD22 ' CD1' ' A' ' 46' ' ' LEU . 89.9 mt -79.13 162.82 25.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.488 ' CG ' HG22 ' A' ' 66' ' ' THR . 23.0 m170 -63.1 -6.4 4.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.811 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.456 ' CB ' ' SG ' ' A' ' 62' ' ' CYS . 30.0 p -89.65 -45.79 9.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.926 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 141.18 -30.18 2.26 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.467 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 30.1 m170 -66.27 148.99 51.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.867 0.365 . . . . 0.0 110.871 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 40.4 m -108.06 137.41 46.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.127 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.484 HG21 ' N ' ' A' ' 42' ' ' CYS . 10.9 mt -145.26 147.13 19.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.088 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.484 ' N ' HG21 ' A' ' 41' ' ' ILE . 17.2 p -70.75 133.97 47.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.44 ' HG3' ' N ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -39.72 -37.22 0.5 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.837 -179.893 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.462 ' HB3' ' SG ' ' A' ' 42' ' ' CYS . 9.2 tt0 -52.79 -54.98 26.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 87.5 m -69.39 -38.88 78.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.466 ' CD2' HD23 ' A' ' 74' ' ' LEU . 5.9 tp -63.69 -32.48 73.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.883 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -69.61 -46.44 66.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.87 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -54.44 -33.45 59.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.427 ' CB ' HG12 ' A' ' 57' ' ' VAL . 79.3 mt -80.93 -50.58 9.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.88 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.406 ' CA ' HG22 ' A' ' 57' ' ' VAL . 3.3 tt -55.25 -39.51 69.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.44 -62.74 1.62 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.111 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.4 t -57.2 -38.14 73.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.6 m -59.38 -175.54 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.86 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -108.53 -51.15 7.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.165 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 50.5 m-20 -134.91 -48.14 0.74 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -104.96 160.44 15.3 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.49 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.427 HG12 ' CB ' ' A' ' 49' ' ' LEU . 91.4 t -102.03 129.31 53.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.826 0.346 . . . . 0.0 111.163 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 24.9 ttm180 -86.57 123.19 31.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.459 ' O ' ' HA ' ' A' ' 63' ' ' SER . 12.0 t -82.69 120.25 76.14 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.614 0.721 . . . . 0.0 110.881 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 5.25 1.75 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.659 2.239 . . . . 0.0 112.355 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.417 ' CE2' HD11 ' A' ' 41' ' ' ILE . 23.2 m-85 -105.39 -59.09 1.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.93 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.456 ' SG ' ' CB ' ' A' ' 37' ' ' CYS . 24.1 p -103.74 -12.4 17.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.84 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.459 ' HA ' ' O ' ' A' ' 59' ' ' CYS . 5.0 p 65.88 34.77 7.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.45 ' HD3' ' CB ' ' A' ' 37' ' ' CYS . 31.1 mtpt -97.83 120.2 37.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.885 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 38.5 mm -69.25 113.61 5.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.122 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.488 HG22 ' CG ' ' A' ' 36' ' ' HIS . 5.4 m -95.18 98.13 10.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -66.62 91.94 0.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.449 HD11 ' CD2' ' A' ' 74' ' ' LEU . 1.9 pp -155.95 105.61 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 4.6 t -68.65 -34.93 76.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.154 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.3 m -106.32 137.63 43.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.833 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.424 ' O ' ' CD1' ' A' ' 74' ' ' LEU . 22.1 mt -57.56 -19.56 26.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.912 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 9.8 t -80.97 -31.43 34.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.152 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -50.21 -64.66 0.74 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.466 HD23 ' CD2' ' A' ' 46' ' ' LEU . 0.5 OUTLIER -51.93 174.88 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.402 ' O ' ' O ' ' A' ' 34' ' ' LEU . 97.0 m -73.86 138.85 44.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.171 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.19 150.45 21.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -122.17 66.51 0.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.472 ' C ' ' CD2' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -82.62 20.57 1.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.914 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 11.8 t -85.05 -30.52 24.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.154 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.482 ' CG2' ' HG3' ' A' ' 32' ' ' PRO . 11.4 m -75.59 -24.46 17.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.177 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 25.0 mt -73.45 -39.42 64.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.63 145.51 24.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 25.7 t -105.94 -53.61 2.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.846 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -148.86 173.88 28.65 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.499 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 158.65 56.18 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.656 2.237 . . . . 0.0 112.354 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 93.6 p -109.61 171.92 7.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.846 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 28.4 t -138.61 131.6 29.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 CA-C-O 119.139 -0.812 . . . . 0.0 112.484 -179.983 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.9 m -82.36 142.41 32.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.887 0.375 . . . . 0.0 110.815 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 t -153.92 164.36 38.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.851 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.19 -178.88 45.86 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.498 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.6 t 47.28 42.34 13.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.883 0.373 . . . . 0.0 110.842 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.2 m -58.02 -52.61 64.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.846 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.75 116.15 0.35 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.488 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -69.71 -60.66 2.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.871 0.367 . . . . 0.0 110.876 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -109.67 176.34 5.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -114.29 103.29 10.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.83 -61.77 2.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -47.71 133.01 14.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.886 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.64 38.03 4.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -75.15 174.77 8.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 23.8 m -132.01 42.0 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.121 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 67.3 mt -48.46 -22.06 0.66 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.93 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -114.45 153.72 29.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.46 ' O ' ' HA ' ' A' ' 22' ' ' MET . 53.8 t -64.24 136.1 96.61 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.585 0.707 . . . . 0.0 110.919 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -0.33 6.79 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.719 2.279 . . . . 0.0 112.309 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 62.4 mt -111.98 -74.65 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.095 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.412 ' SG ' ' HB3' ' A' ' 18' ' ' CYS . 6.6 p -73.93 -27.77 61.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.46 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 79.8 mmm 68.23 45.54 1.23 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.442 ' HB3' ' CD1' ' A' ' 30' ' ' LEU . 6.5 mt-10 -116.27 136.04 53.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 27.8 m -49.39 130.11 19.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.877 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.474 ' CB ' HG23 ' A' ' 80' ' ' VAL . 31.0 m-85 -70.61 107.07 3.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.916 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.5 t -114.16 145.84 41.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.121 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -85.8 43.03 1.01 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -132.7 -47.75 0.88 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.886 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 44.8 tp60 -127.1 -59.77 1.23 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.442 ' CD1' ' HB3' ' A' ' 23' ' ' GLU . 13.5 mt -91.94 99.98 12.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 53.9 mtm180 -99.73 130.08 27.37 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.621 0.724 . . . . 0.0 110.861 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.482 ' HG3' ' CG2' ' A' ' 80' ' ' VAL . 53.7 Cg_endo -69.75 117.71 5.25 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.734 2.289 . . . . 0.0 112.36 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.6 mmmt -116.35 132.11 56.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.462 ' N ' ' O ' ' A' ' 75' ' ' THR . 4.2 tp -94.41 132.25 39.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.462 HD21 ' CD1' ' A' ' 46' ' ' LEU . 63.4 mt -87.74 162.42 17.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.518 ' CD2' HG21 ' A' ' 66' ' ' THR . 21.8 m170 -63.76 -6.63 5.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.426 ' CB ' ' HD2' ' A' ' 64' ' ' LYS . 30.0 p -91.56 -47.28 7.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 144.73 -30.95 1.8 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.474 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 31.8 m170 -66.04 150.34 48.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.878 0.371 . . . . 0.0 110.835 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.737 ' HG1' ' ND2' ' A' ' 77' ' ' ASN . 89.2 m -111.68 139.52 47.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.093 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.469 ' CG2' ' HB2' ' A' ' 45' ' ' CYS . 13.0 mt -145.71 148.72 17.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.091 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.481 ' SG ' ' HB3' ' A' ' 44' ' ' GLN . 20.8 p -72.35 139.12 47.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.5 ppt_? -40.99 -36.87 0.72 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.481 ' HB3' ' SG ' ' A' ' 42' ' ' CYS . 7.8 tt0 -53.71 -60.97 2.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.882 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.469 ' HB2' ' CG2' ' A' ' 41' ' ' ILE . 60.4 m -60.28 -48.31 82.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.462 ' CD1' HD21 ' A' ' 35' ' ' LEU . 5.4 tp -57.52 -37.31 72.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.44 ' CD ' HD11 ' A' ' 71' ' ' LEU . 4.0 mm-40 -65.01 -52.81 54.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.7 mptt -50.56 -29.23 10.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.92 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 82.4 mt -84.75 -57.22 3.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.5 tt -48.84 -40.63 30.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.92 -64.67 0.74 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 37.8 p -67.93 -57.73 5.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.7 m -51.62 -174.96 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.842 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.49 ' O ' ' N ' ' A' ' 56' ' ' GLY . 0.9 OUTLIER -88.86 -172.19 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.154 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.409 ' H ' ' CG2' ' A' ' 54' ' ' ILE . 20.3 p30 -40.57 -23.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 54' ' ' ILE . . . -109.81 154.03 16.71 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.471 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 94.1 t -100.82 124.04 54.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.87 0.367 . . . . 0.0 111.095 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 43.6 ttp180 -81.72 115.22 20.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.436 ' O ' ' HA ' ' A' ' 63' ' ' SER . 18.1 t -71.64 120.98 83.11 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.64 0.733 . . . . 0.0 110.916 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 3.68 2.64 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.706 2.271 . . . . 0.0 112.311 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -106.66 -61.43 1.53 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 26.8 p -99.75 -24.64 14.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.436 ' HA ' ' O ' ' A' ' 59' ' ' CYS . 6.1 t 74.95 47.49 0.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.426 ' HD2' ' CB ' ' A' ' 37' ' ' CYS . 34.0 mttm -108.97 115.31 29.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 43.6 mm -62.9 118.98 5.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.125 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.518 HG21 ' CD2' ' A' ' 36' ' ' HIS . 3.4 m -94.5 85.7 4.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.125 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? -55.02 89.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.486 HG22 ' CA ' ' A' ' 74' ' ' LEU . 2.1 pt -151.63 107.72 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 8.9 t -59.35 -35.38 73.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.122 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 48.3 m -115.09 164.85 13.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.44 HD11 ' CD ' ' A' ' 47' ' ' GLU . 18.0 mt -75.41 -26.92 58.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.922 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 7.9 t -78.41 -22.25 48.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.17 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 19.0 mm100 -59.68 -54.55 45.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.486 ' CA ' HG22 ' A' ' 68' ' ' ILE . 1.7 pp -54.02 -175.03 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.462 ' O ' ' N ' ' A' ' 34' ' ' LEU . 82.0 m -81.29 133.12 35.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.143 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -79.98 154.44 28.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.737 ' ND2' ' HG1' ' A' ' 40' ' ' THR . 27.4 t-20 -128.43 67.78 1.37 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.534 ' C ' ' CD2' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -84.8 21.07 1.64 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 179.928 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 12.4 t -83.37 -32.62 26.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.19 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.482 ' CG2' ' HG3' ' A' ' 32' ' ' PRO . 10.2 m -77.41 -29.69 16.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.07 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 19.7 mt -73.26 -39.12 65.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -143.83 133.55 23.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 25.3 m -58.05 109.75 0.8 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.881 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -149.93 167.82 29.99 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.484 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -177.0 1.67 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.687 2.258 . . . . 0.0 112.365 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 19.9 m -74.23 122.72 23.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.836 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.2 t -95.6 135.84 36.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.843 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 CA-C-O 119.098 -0.834 . . . . 0.0 112.475 179.989 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.538 -0.225 . . . . 0.0 112.538 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 t -163.32 127.67 2.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.895 0.379 . . . . 0.0 110.848 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.4 p -138.01 176.94 8.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.855 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.64 178.06 27.4 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.49 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.7 t -167.14 144.93 4.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.897 0.379 . . . . 0.0 110.818 -179.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.2 p -156.62 154.32 29.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.58 -90.79 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.498 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.6 m120 62.01 46.42 6.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.892 0.377 . . . . 0.0 110.89 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.0 tp -150.04 132.21 15.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -118.24 105.42 11.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -93.24 -34.89 13.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.072 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -46.98 154.21 0.36 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.29 -9.61 13.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.9 mp0 -76.44 160.47 29.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 17' ' ' GLU . 33.1 m -96.76 31.61 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.122 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.3 mt -41.31 -24.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 15' ' ' VAL . 3.6 mt-10 -109.26 132.96 53.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.458 ' O ' ' HA ' ' A' ' 22' ' ' MET . 52.6 t -49.18 136.2 15.42 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.653 0.74 . . . . 0.0 110.895 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.504 ' CD ' ' O ' ' A' ' 40' ' ' THR . 53.8 Cg_endo -69.79 1.2 4.67 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.722 2.281 . . . . 0.0 112.377 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 26.4 mt -115.12 -74.47 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.111 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 8.8 p -74.69 -23.86 58.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.458 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 6.7 mmt 62.76 45.45 5.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.833 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 24' ' ' SER . 8.3 mt-10 -115.34 124.93 52.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.921 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 23' ' ' GLU . 7.4 t -37.31 130.35 0.92 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.838 -179.775 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -69.85 101.45 1.74 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 32.1 p -84.12 -174.36 5.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.134 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -94.78 -64.5 1.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -84.89 32.75 0.53 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.466 ' O ' ' C ' ' A' ' 30' ' ' LEU . 2.6 tp60 -177.04 163.38 2.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.466 ' C ' ' O ' ' A' ' 29' ' ' GLN . 27.2 mt 32.84 42.33 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 48.0 mtm180 -54.11 128.17 56.56 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.569 0.7 . . . . 0.0 110.887 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.495 ' HG3' ' CG2' ' A' ' 80' ' ' VAL . 53.2 Cg_endo -69.78 117.74 5.26 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.672 2.248 . . . . 0.0 112.315 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.4 mmmt -117.25 137.28 52.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.887 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.4 tp -103.25 125.35 49.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 94.8 mt -82.8 162.58 21.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.953 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.561 ' CD2' HG23 ' A' ' 66' ' ' THR . 23.8 m170 -60.34 -9.32 3.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.822 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 28.2 p -88.21 -46.6 9.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 140.21 -28.66 2.46 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.504 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 23.2 m170 -62.99 148.32 48.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.869 0.366 . . . . 0.0 110.896 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.504 ' O ' ' CD ' ' A' ' 19' ' ' PRO . 62.5 m -111.48 126.94 55.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.167 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.509 ' CG2' ' HB2' ' A' ' 45' ' ' CYS . 60.3 mt -135.45 150.03 28.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.117 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.442 ' SG ' ' HB3' ' A' ' 44' ' ' GLN . 19.5 p -73.88 135.56 43.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.422 ' HG3' ' N ' ' A' ' 44' ' ' GLN . 0.1 OUTLIER -38.24 -37.51 0.29 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.82 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.442 ' HB3' ' SG ' ' A' ' 42' ' ' CYS . 6.2 tt0 -53.87 -61.01 2.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.509 ' HB2' ' CG2' ' A' ' 41' ' ' ILE . 56.3 m -59.84 -44.98 93.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.7 tp -59.51 -35.84 74.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.415 ' CD ' HD13 ' A' ' 71' ' ' LEU . 4.6 mm-40 -63.35 -51.33 66.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.8 mptt -49.75 -34.93 20.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.899 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 96.3 mt -80.81 -53.26 6.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 51' ' ' ALA . 1.4 tt -51.31 -46.95 62.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 50' ' ' LEU . . . -37.84 -65.39 0.33 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.079 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 33.6 m -67.52 -43.49 80.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.862 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 60.4 m -61.12 151.69 30.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.818 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.454 HG22 ' N ' ' A' ' 55' ' ' ASN . 7.2 tt -132.46 -40.79 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.153 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.454 ' N ' HG22 ' A' ' 54' ' ' ILE . 5.7 m120 -100.19 47.7 0.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.465 ' HA3' ' CG2' ' A' ' 65' ' ' ILE . . . 106.47 154.33 20.49 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.487 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 48.5 t -91.32 116.27 32.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.88 0.371 . . . . 0.0 111.124 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 68.9 ttt180 -77.34 113.77 15.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.444 ' O ' ' HA ' ' A' ' 63' ' ' SER . 42.4 t -67.24 123.53 86.68 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.702 0.763 . . . . 0.0 110.862 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 4.36 2.25 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.669 2.246 . . . . 0.0 112.356 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.483 ' CZ ' ' HB2' ' A' ' 19' ' ' PRO . 33.5 m-85 -107.17 -54.89 2.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.853 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 26.4 p -111.6 -16.33 13.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.88 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.444 ' HA ' ' O ' ' A' ' 59' ' ' CYS . 74.3 m 62.25 47.83 5.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 65' ' ' ILE . 89.5 mttt -109.42 91.16 3.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.465 ' CG2' ' HA3' ' A' ' 56' ' ' GLY . 46.0 mm -33.67 125.49 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.129 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.561 HG23 ' CD2' ' A' ' 36' ' ' HIS . 14.8 m -79.2 -29.53 42.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.143 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.434 ' HB3' ' NH1' ' A' ' 67' ' ' ARG . 3.5 mmm180 64.01 48.94 2.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.505 ' CD1' ' CD2' ' A' ' 74' ' ' LEU . 2.5 pt -128.39 132.36 68.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.122 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.457 HG23 ' N ' ' A' ' 70' ' ' SER . 14.7 t -85.35 -29.97 24.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.18 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.457 ' N ' HG23 ' A' ' 69' ' ' THR . 18.2 m -116.53 153.4 32.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.826 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.415 HD13 ' CD ' ' A' ' 47' ' ' GLU . 56.2 mt -63.56 -28.23 69.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.901 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 8.9 t -80.85 -30.77 35.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.155 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 -47.09 -56.25 6.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.505 ' CD2' ' CD1' ' A' ' 68' ' ' ILE . 2.8 pp -53.06 -174.26 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 90.8 m -84.22 137.02 33.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.16 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -84.71 152.42 23.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.481 ' ND2' ' HG1' ' A' ' 40' ' ' THR . 10.0 t30 -129.75 62.27 1.55 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.485 ' C ' ' CD2' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -75.91 5.82 5.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.407 HG21 ' N ' ' A' ' 80' ' ' VAL . 8.3 t -66.87 -40.49 87.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.153 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.495 ' CG2' ' HG3' ' A' ' 32' ' ' PRO . 19.8 m -67.13 -30.38 49.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.142 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.425 ' O ' ' C ' ' A' ' 82' ' ' LYS . 96.9 mt -73.02 -34.59 66.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.932 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 81' ' ' LEU . 0.0 OUTLIER 36.28 54.59 1.03 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 179.816 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 63.5 m 54.3 44.61 28.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 81' ' ' LEU . . . 87.46 -174.54 45.1 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.511 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.434 ' O ' ' C ' ' A' ' 86' ' ' SER . 53.7 Cg_endo -69.75 86.58 0.57 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.694 2.263 . . . . 0.0 112.359 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 85' ' ' PRO . 23.5 m 34.84 41.97 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 -179.775 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.8 m -85.22 114.29 22.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.801 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 CA-C-O 119.11 -0.828 . . . . 0.0 112.513 179.955 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.8 p -164.53 147.26 8.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.846 0.355 . . . . 0.0 110.86 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.3 t -93.6 -61.03 1.63 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.88 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.9 170.71 20.2 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.448 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.1 t -157.93 136.48 11.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.879 0.371 . . . . 0.0 110.844 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 m -51.98 149.9 4.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.25 52.19 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.508 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -161.76 145.7 12.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.878 0.371 . . . . 0.0 110.866 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.4 tp -174.19 155.92 2.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -148.63 125.73 11.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.844 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -98.86 -54.38 3.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.118 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -52.78 149.09 6.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -105.47 44.28 1.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.888 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -128.64 169.49 14.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 33.5 m -97.82 41.32 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.084 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 18.8 mt -53.13 -16.61 1.22 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -115.02 159.45 20.77 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.452 ' O ' ' HA ' ' A' ' 22' ' ' MET . 51.0 t -70.41 135.94 86.41 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.591 0.71 . . . . 0.0 110.894 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.491 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 53.8 Cg_endo -69.7 -0.05 6.31 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.7 2.267 . . . . 0.0 112.345 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 27.3 mt -111.61 -72.55 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.133 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.8 p -77.87 -29.52 50.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.893 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.452 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 10.2 mtp 71.65 49.89 0.27 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -119.08 140.91 49.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.855 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.6 p -51.32 132.29 28.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.893 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.492 ' CG ' ' HB3' ' A' ' 32' ' ' PRO . 21.6 m-85 -74.02 103.22 4.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.893 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.404 ' O ' ' O ' ' A' ' 30' ' ' LEU . 1.3 t -124.69 138.26 54.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.15 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 64.0 mt-10 -79.74 45.59 0.71 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -134.27 -38.48 0.85 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 -133.41 -37.95 0.94 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.917 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.462 HD22 ' NE2' ' A' ' 44' ' ' GLN . 1.8 mt -130.27 105.28 7.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 22.6 mtm180 -95.8 131.34 29.42 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.608 0.718 . . . . 0.0 110.875 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.492 ' HB3' ' CG ' ' A' ' 25' ' ' PHE . 53.6 Cg_endo -69.76 122.57 9.25 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.713 2.275 . . . . 0.0 112.336 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.5 mmmm -122.31 135.26 54.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.894 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.3 tp -99.74 130.54 45.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 77.1 mt -87.63 162.25 17.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.592 ' CE1' ' O ' ' A' ' 66' ' ' THR . 22.1 m170 -60.37 -9.67 3.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 28.5 p -88.81 -46.92 8.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 141.46 -29.55 2.26 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.437 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 25.4 m170 -63.28 139.71 58.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.929 0.395 . . . . 0.0 110.841 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.428 HG23 ' CG ' ' A' ' 77' ' ' ASN . 15.6 m -106.09 118.17 35.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.154 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.5 HG22 ' N ' ' A' ' 42' ' ' CYS . 18.9 mt -127.41 152.21 35.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.097 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.5 ' N ' HG22 ' A' ' 41' ' ' ILE . 17.5 p -71.87 140.22 49.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.858 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.553 ' HG3' ' N ' ' A' ' 44' ' ' GLN . 4.8 ptt180 -44.3 -37.53 3.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.553 ' N ' ' HG3' ' A' ' 43' ' ' ARG . 7.5 tt0 -52.08 -55.25 21.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 54.4 m -65.75 -38.03 87.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.3 tp -62.22 -40.85 97.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -62.01 -50.99 69.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -48.0 -34.9 10.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 56.8 mt -82.0 -57.56 3.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.0 tt -47.93 -27.9 2.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -77.7 -33.34 53.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.1 t -116.24 34.87 4.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.6 m -137.53 -175.48 4.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.857 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.439 ' C ' ' N ' ' A' ' 56' ' ' GLY . 0.5 OUTLIER -77.69 -173.46 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.16 179.932 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -45.25 -18.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.439 ' N ' ' C ' ' A' ' 54' ' ' ILE . . . -112.67 -147.32 10.15 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.464 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 59.4 t -143.49 108.6 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.831 0.348 . . . . 0.0 111.177 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 59.1 ttp85 -70.85 110.41 5.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.928 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.461 ' O ' ' HA ' ' A' ' 63' ' ' SER . 47.0 t -64.85 125.34 88.78 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.657 0.741 . . . . 0.0 110.849 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 3.99 2.44 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.672 2.248 . . . . 0.0 112.367 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.491 ' CZ ' ' HB2' ' A' ' 19' ' ' PRO . 36.3 m-85 -109.35 -57.64 2.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 26.5 p -107.57 -15.63 14.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.461 ' HA ' ' O ' ' A' ' 59' ' ' CYS . 16.8 m 59.41 51.27 6.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.826 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.456 ' O ' ' C ' ' A' ' 65' ' ' ILE . 88.3 mttt -114.48 93.03 4.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.456 ' C ' ' O ' ' A' ' 64' ' ' LYS . 46.5 mm -31.73 123.66 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.111 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.592 ' O ' ' CE1' ' A' ' 36' ' ' HIS . 3.0 m -72.27 -29.86 64.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.135 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 6.8 mmm180 63.81 55.01 1.7 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.839 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.518 ' CD1' ' CD2' ' A' ' 74' ' ' LEU . 1.6 pt -137.25 121.63 23.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.142 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.1 p -67.45 -36.79 81.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.137 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.2 t -111.25 167.34 10.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 13.5 mt -75.33 -25.17 57.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.929 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 8.8 t -85.18 -30.76 23.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.065 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -43.81 -52.54 6.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.933 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.518 ' CD2' ' CD1' ' A' ' 68' ' ' ILE . 3.3 pp -53.56 -174.86 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.984 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 93.0 m -83.35 136.48 34.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.153 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -80.44 145.94 31.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.887 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.428 ' CG ' HG23 ' A' ' 40' ' ' THR . 25.0 t-20 -117.14 67.73 0.74 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.476 ' C ' ' CD2' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -81.35 12.76 3.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.937 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.8 t -75.85 -33.59 60.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.122 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.468 HG22 ' CB ' ' A' ' 25' ' ' PHE . 16.8 m -76.22 -29.74 19.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.121 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 22.6 mt -74.32 -38.9 63.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? -78.33 164.33 24.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.8 t -82.64 120.39 25.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.792 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -53.07 137.24 37.33 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.449 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 146.36 59.95 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.633 2.222 . . . . 0.0 112.347 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 65.4 p -96.7 77.98 2.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.901 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.4 m -44.91 -60.46 2.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.868 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 CA-C-O 119.164 -0.798 . . . . 0.0 112.493 -179.985 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.1 p -146.03 129.19 16.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.854 0.359 . . . . 0.0 110.837 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.3 m -144.95 114.56 7.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.842 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.85 149.75 8.66 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.457 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.1 p -149.09 177.68 9.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.867 0.365 . . . . 0.0 110.877 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 t -39.9 -51.29 2.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.872 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.89 121.05 4.13 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.48 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -66.07 113.6 4.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.842 0.353 . . . . 0.0 110.901 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.9 tp -130.82 144.9 51.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.94 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -162.33 112.06 1.48 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 179.811 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -129.02 15.97 6.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.138 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -65.05 156.47 31.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.56 -25.5 12.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.442 ' OE1' ' CD2' ' A' ' 16' ' ' LEU . 3.5 tm-20 -65.92 164.96 14.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 33.8 m -100.49 44.12 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.168 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.442 ' CD2' ' OE1' ' A' ' 14' ' ' GLU . 26.5 mt -52.71 -26.06 12.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.908 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' A' ' 24' ' ' SER . 1.9 mp0 -105.21 175.27 5.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.922 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.461 ' O ' ' HA ' ' A' ' 22' ' ' MET . 45.5 t -75.77 136.86 70.24 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.684 0.754 . . . . 0.0 110.852 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.405 ' HD2' ' SG ' ' A' ' 18' ' ' CYS . 53.8 Cg_endo -69.76 1.79 4.12 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.666 2.244 . . . . 0.0 112.312 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 52.8 mt -116.02 -67.51 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.157 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.412 ' O ' ' HB2' ' A' ' 22' ' ' MET . 11.3 p -85.32 -24.72 27.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.461 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 7.9 mmt 65.97 52.0 1.27 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.47 ' HB3' ' CD1' ' A' ' 30' ' ' LEU . 35.0 mm-40 -115.5 136.76 52.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.866 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.401 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 29.3 p -47.04 123.86 5.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.822 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.5 ' CG ' ' HB3' ' A' ' 32' ' ' PRO . 15.8 m-85 -68.69 103.09 1.64 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.904 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.5 t -124.28 139.3 54.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.147 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -80.27 43.92 0.66 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -131.13 -41.33 1.12 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -134.76 -34.0 0.92 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.47 ' CD1' ' HB3' ' A' ' 23' ' ' GLU . 1.4 mt -128.4 98.63 5.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.909 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 19.5 mtm180 -94.6 128.77 38.66 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.605 0.717 . . . . 0.0 110.833 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.5 ' HB3' ' CG ' ' A' ' 25' ' ' PHE . 53.9 Cg_endo -69.77 114.68 3.78 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.643 2.228 . . . . 0.0 112.362 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.421 ' HB3' ' CD1' ' A' ' 74' ' ' LEU . 2.5 mmmm -114.53 132.31 56.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.419 ' N ' ' O ' ' A' ' 75' ' ' THR . 6.3 tp -94.87 133.94 38.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 84.3 mt -90.49 162.29 15.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.883 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.551 ' CD2' HG22 ' A' ' 66' ' ' THR . 16.2 m170 -62.11 -7.63 4.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 28.8 p -89.48 -46.92 8.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.863 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 141.93 -28.95 2.24 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.533 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 29.6 m170 -65.94 146.41 54.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.896 0.379 . . . . 0.0 110.817 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.458 HG21 ' CB ' ' A' ' 77' ' ' ASN . 23.2 m -112.29 118.07 34.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.163 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.504 HG21 ' N ' ' A' ' 42' ' ' CYS . 55.8 mt -125.57 151.24 31.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.167 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.504 ' N ' HG21 ' A' ' 41' ' ' ILE . 17.8 p -71.86 143.66 49.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.91 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.435 ' HD2' ' C ' ' A' ' 43' ' ' ARG . 0.4 OUTLIER -45.03 -39.18 5.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.497 ' HB3' ' SG ' ' A' ' 42' ' ' CYS . 2.3 tt0 -51.47 -62.17 1.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.478 ' HB2' ' CG2' ' A' ' 41' ' ' ILE . 56.9 m -59.13 -44.17 92.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.6 tp -59.71 -35.33 74.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.415 ' CD ' HD11 ' A' ' 71' ' ' LEU . 4.1 mm-40 -63.55 -52.05 62.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.4 mptt -50.27 -33.97 21.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 96.1 mt -81.4 -54.77 5.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.896 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.3 tt -50.71 -47.4 59.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.922 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.97 -67.83 0.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.114 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.9 t -48.47 -46.46 38.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.6 t -63.14 173.67 1.39 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.893 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 10.8 mm -78.98 -70.57 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.131 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 13.7 p30 -130.95 -31.35 1.72 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.882 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -94.18 171.62 31.28 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.468 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 84.8 t -123.65 104.08 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.844 0.354 . . . . 0.0 111.153 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 21.0 ttp-105 -71.08 113.58 8.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.852 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.477 ' O ' ' HA ' ' A' ' 63' ' ' SER . 21.8 t -68.32 124.93 90.97 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.676 0.751 . . . . 0.0 110.893 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 5.19 1.8 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.648 2.232 . . . . 0.0 112.358 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -109.69 -58.29 2.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.849 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 19.5 p -103.61 -12.96 16.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.477 ' HA ' ' O ' ' A' ' 59' ' ' CYS . 3.6 m 58.74 44.38 17.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.795 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 51.0 mttp -114.14 107.86 16.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.881 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 31.6 mm -49.83 133.66 8.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.153 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.551 HG22 ' CD2' ' A' ' 36' ' ' HIS . 10.4 m -83.28 -28.03 29.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.122 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 63.17 53.71 2.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.861 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.504 ' CD1' ' CD2' ' A' ' 74' ' ' LEU . 1.0 OUTLIER -130.94 128.94 63.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.155 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.446 HG22 ' N ' ' A' ' 70' ' ' SER . 8.9 t -79.54 -29.87 41.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.111 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.446 ' N ' HG22 ' A' ' 69' ' ' THR . 8.9 t -114.24 155.34 26.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.863 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.415 HD11 ' CD ' ' A' ' 47' ' ' GLU . 45.8 mt -68.4 -31.39 70.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.9 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 8.6 t -81.24 -24.77 37.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.152 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -49.42 -55.09 14.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.937 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.504 ' CD2' ' CD1' ' A' ' 68' ' ' ILE . 2.5 pp -52.58 -174.85 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.419 ' O ' ' N ' ' A' ' 34' ' ' LEU . 89.1 m -80.76 142.37 33.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.17 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -89.46 149.86 22.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.458 ' CB ' HG21 ' A' ' 40' ' ' THR . 27.1 t-20 -121.81 66.37 0.91 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.885 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.531 ' C ' ' CD2' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -80.41 14.23 2.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.953 179.936 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 13.9 t -76.46 -34.89 58.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.148 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.467 HG22 ' CB ' ' A' ' 25' ' ' PHE . 12.1 m -72.68 -36.31 52.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.149 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 14.3 mt -66.07 -40.75 91.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -87.21 117.07 25.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 40.5 t -151.76 141.01 21.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.851 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 174.49 115.28 0.39 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.486 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -39.48 6.45 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.701 2.267 . . . . 0.0 112.337 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 37.8 m -74.67 -58.87 3.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.871 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 38.5 p -77.51 171.37 15.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.816 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 CA-C-O 119.162 -0.799 . . . . 0.0 112.47 179.991 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.0 p -125.26 176.14 6.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.864 0.364 . . . . 0.0 110.826 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 81.7 p -158.65 141.71 14.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.84 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 127.15 142.49 5.59 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.451 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 m -123.01 167.48 13.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.908 0.385 . . . . 0.0 110.847 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.6 t -165.03 157.95 16.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.875 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.32 173.65 16.88 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.509 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 46.8 p30 -139.06 178.13 7.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.892 0.377 . . . . 0.0 110.873 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 13.2 tp -100.55 146.34 27.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -141.92 119.05 11.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -117.03 -43.47 2.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.091 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.8 mt -47.82 171.26 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.919 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.1 ptt85 -94.15 -46.15 7.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.0 mp0 -46.68 164.91 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.445 ' O ' ' N ' ' A' ' 17' ' ' GLU . 35.0 m -99.88 34.7 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.468 ' O ' ' CD2' ' A' ' 25' ' ' PHE . 24.3 mt -41.06 -24.86 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 15' ' ' VAL . 3.3 mt-10 -103.01 166.6 10.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.457 ' O ' ' HA ' ' A' ' 22' ' ' MET . 52.3 t -80.4 136.19 52.97 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.619 0.723 . . . . 0.0 110.891 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.518 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 53.9 Cg_endo -69.76 0.66 5.32 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.683 2.256 . . . . 0.0 112.361 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 49.0 mt -114.44 -73.33 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.172 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.402 ' O ' ' HB2' ' A' ' 22' ' ' MET . 18.4 p -77.72 -25.61 49.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.874 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.457 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 20.3 mmt 64.66 45.05 3.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.478 ' HB3' ' CD1' ' A' ' 30' ' ' LEU . 27.8 mt-10 -117.32 122.5 44.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.839 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 23' ' ' GLU . 8.3 t -33.44 129.45 0.28 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 -179.803 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.483 ' CG ' ' HB3' ' A' ' 32' ' ' PRO . 23.8 m-85 -68.14 100.25 0.99 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.869 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 43.1 p -97.73 138.57 34.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.112 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -82.95 38.51 0.59 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -134.47 -48.51 0.77 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.868 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 62.1 tp60 -126.05 -48.84 1.6 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.478 ' CD1' ' HB3' ' A' ' 23' ' ' GLU . 27.7 mt -96.73 73.41 2.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.911 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 84.6 mtm-85 -76.34 127.2 85.27 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.599 0.714 . . . . 0.0 110.877 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.5 ' CB ' HG21 ' A' ' 80' ' ' VAL . 53.5 Cg_endo -69.78 119.99 6.85 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.714 2.276 . . . . 0.0 112.301 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.3 mmmt -117.82 143.64 46.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.889 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.4 tp -111.2 122.45 47.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.478 HD23 ' CD1' ' A' ' 46' ' ' LEU . 95.4 mt -77.02 162.31 27.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.563 ' CD2' HG22 ' A' ' 66' ' ' THR . 21.3 m170 -62.38 -6.66 3.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.837 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.472 ' CB ' ' HD3' ' A' ' 64' ' ' LYS . 28.8 p -89.41 -47.71 7.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 143.28 -29.26 2.05 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.514 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 27.9 m170 -64.66 146.75 54.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.838 0.351 . . . . 0.0 110.843 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.463 HG23 ' ND2' ' A' ' 77' ' ' ASN . 99.1 m -108.98 131.72 54.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.142 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.494 HG22 ' N ' ' A' ' 42' ' ' CYS . 52.2 mt -140.57 150.11 21.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.16 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.494 ' N ' HG22 ' A' ' 41' ' ' ILE . 20.4 p -72.19 142.2 49.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.935 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.7 -33.0 3.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.48 ' HB3' ' SG ' ' A' ' 42' ' ' CYS . 1.1 tt0 -56.42 -56.99 14.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.468 ' HB2' ' CG2' ' A' ' 41' ' ' ILE . 56.4 m -63.5 -43.55 96.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.478 ' CD1' HD23 ' A' ' 35' ' ' LEU . 5.8 tp -59.34 -45.07 92.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.949 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.416 ' CD ' HD12 ' A' ' 71' ' ' LEU . 4.0 mm-40 -54.52 -46.33 73.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -55.1 -34.03 63.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.878 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 94.3 mt -81.27 -53.37 6.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.916 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.464 ' O ' ' C ' ' A' ' 51' ' ' ALA . 1.8 tt -53.7 -45.41 70.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.464 ' C ' ' O ' ' A' ' 50' ' ' LEU . . . -32.89 -68.03 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.095 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 24.5 m -68.76 -47.23 66.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.7 m -55.16 144.26 24.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.864 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 10.8 tt -127.69 -28.02 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.095 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -111.79 38.42 2.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 113.29 154.2 11.45 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.502 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 57.5 t -92.63 135.15 28.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.819 0.343 . . . . 0.0 111.161 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 27.3 ttp180 -91.99 114.56 27.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.457 ' O ' ' HA ' ' A' ' 63' ' ' SER . 35.7 t -64.97 126.18 90.65 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.615 0.721 . . . . 0.0 110.859 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 3.24 2.91 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.689 2.26 . . . . 0.0 112.316 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.518 ' CZ ' ' HB2' ' A' ' 19' ' ' PRO . 30.2 m-85 -110.83 -64.36 1.28 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 27.3 p -97.57 -22.39 16.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.457 ' HA ' ' O ' ' A' ' 59' ' ' CYS . 16.4 m 68.26 46.2 1.14 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.472 ' HD3' ' CB ' ' A' ' 37' ' ' CYS . 25.0 mtpp -103.59 91.31 3.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.87 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.429 ' C ' ' O ' ' A' ' 64' ' ' LYS . 44.8 mm -35.68 125.9 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.136 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.563 HG22 ' CD2' ' A' ' 36' ' ' HIS . 4.7 m -103.73 84.31 2.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.155 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 3.5 mpp_? -51.64 86.34 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.495 ' N ' ' O ' ' A' ' 66' ' ' THR . 1.6 pt -145.31 108.36 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.134 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 6.7 t -64.37 -35.18 80.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.17 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 25.4 m -111.96 161.23 16.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.857 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.416 HD12 ' CD ' ' A' ' 47' ' ' GLU . 65.9 mt -70.25 -26.05 63.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.95 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 8.9 t -84.24 -24.96 29.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.191 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -49.71 -51.84 35.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.499 HD13 ' C ' ' A' ' 74' ' ' LEU . 2.3 pp -52.65 -173.41 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 93.3 m -86.24 121.43 28.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.193 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -64.34 142.76 58.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.871 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.463 ' ND2' HG23 ' A' ' 40' ' ' THR . 3.4 t30 -121.6 68.75 0.91 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.426 ' C ' ' CD2' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -82.58 -8.99 59.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.925 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.422 ' N ' ' CD2' ' A' ' 78' ' ' LEU . 8.7 t -49.9 -42.93 49.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.123 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.5 HG21 ' CB ' ' A' ' 32' ' ' PRO . 31.5 m -67.34 -33.12 60.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.117 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 89.1 mt -70.37 -38.64 74.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 42.2 mmtt -53.63 153.99 4.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.912 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 42.8 t -123.2 86.59 2.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.855 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 118.93 143.92 7.28 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.435 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -47.37 0.94 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.678 2.252 . . . . 0.0 112.324 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 22.9 t -117.4 99.39 6.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.5 m -98.66 130.48 45.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.861 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 CA-C-O 119.139 -0.812 . . . . 0.0 112.507 -179.988 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.471 ' O ' ' N ' ' A' ' 17' ' ' GLU . 34.4 m . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.817 0.341 . . . . 0.0 111.064 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.473 ' O ' ' CD2' ' A' ' 25' ' ' PHE . 21.3 mt -38.31 -28.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 15' ' ' VAL . 3.2 mt-10 -104.37 161.72 13.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.454 ' O ' ' HA ' ' A' ' 22' ' ' MET . 52.4 t -72.89 135.1 80.75 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.652 0.739 . . . . 0.0 110.881 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -0.99 7.73 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.671 2.248 . . . . 0.0 112.328 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.471 HD11 HD13 ' A' ' 41' ' ' ILE . 62.5 mt -109.6 -74.48 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.136 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.418 ' SG ' ' HB3' ' A' ' 18' ' ' CYS . 5.2 p -73.83 -28.8 61.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.838 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.454 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 10.1 mtp 69.2 44.92 0.92 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -119.19 132.15 55.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.863 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.754 ' O ' HG23 ' A' ' 26' ' ' THR . 1.5 t -44.01 122.47 2.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.823 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.521 ' CG ' ' HB3' ' A' ' 32' ' ' PRO . 14.4 m-85 -56.82 101.26 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.918 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.754 HG23 ' O ' ' A' ' 24' ' ' SER . 1.6 p -109.99 112.4 24.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.168 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 28' ' ' GLU . 17.4 mt-10 -47.9 -49.3 30.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 27' ' ' GLU . 7.6 pt-20 -35.57 -48.42 0.51 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.893 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -130.2 -72.04 0.58 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.924 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 15.3 mt -74.12 93.83 2.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 25.0 mtp180 -92.56 128.47 44.22 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.633 0.73 . . . . 0.0 110.857 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.585 ' HB3' HG21 ' A' ' 80' ' ' VAL . 53.7 Cg_endo -69.81 119.49 6.42 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.697 2.265 . . . . 0.0 112.297 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.8 mmmt -119.34 141.17 49.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.804 HD11 ' O ' ' A' ' 38' ' ' GLY . 6.7 tp -108.05 126.19 52.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.966 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.644 HD21 ' CD1' ' A' ' 46' ' ' LEU . 96.0 mt -81.55 162.58 23.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -60.25 -8.78 2.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 29.0 p -88.57 -46.48 9.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.804 ' O ' HD11 ' A' ' 34' ' ' LEU . . . 140.89 -29.8 2.31 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.474 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.472 ' O ' HD12 ' A' ' 34' ' ' LEU . 30.4 m170 -63.49 145.11 56.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.853 0.359 . . . . 0.0 110.84 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.494 ' OG1' HD13 ' A' ' 34' ' ' LEU . 37.2 m -107.72 132.11 53.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.511 HG22 ' HB2' ' A' ' 45' ' ' CYS . 9.7 mt -140.87 148.17 22.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.114 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.442 ' SG ' ' HB3' ' A' ' 44' ' ' GLN . 17.0 p -71.47 133.52 45.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.415 ' HD2' ' N ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -38.88 -36.4 0.27 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.442 ' HB3' ' SG ' ' A' ' 42' ' ' CYS . 4.3 tt0 -52.9 -56.42 16.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.511 ' HB2' HG22 ' A' ' 41' ' ' ILE . 59.9 m -65.14 -42.3 93.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.644 ' CD1' HD21 ' A' ' 35' ' ' LEU . 5.6 tp -61.98 -33.94 75.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.533 ' OE2' HD11 ' A' ' 71' ' ' LEU . 4.2 mm-40 -63.96 -50.0 70.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -51.66 -36.39 46.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.953 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 92.6 mt -78.64 -53.21 7.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.497 ' HA ' HG22 ' A' ' 57' ' ' VAL . 2.3 tt -51.92 -46.7 64.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 50' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.093 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.497 HG22 ' HA ' ' A' ' 50' ' ' LEU . 97.6 t -93.89 131.45 40.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.766 0.317 . . . . 0.0 111.154 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 28.3 ttp180 -87.9 115.37 25.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.446 ' O ' ' HA ' ' A' ' 63' ' ' SER . 42.7 t -68.17 124.94 90.89 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.668 0.747 . . . . 0.0 110.895 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 3.66 2.67 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.672 2.248 . . . . 0.0 112.322 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -106.58 -62.32 1.41 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 24.9 p -102.43 -23.75 13.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.827 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.446 ' HA ' ' O ' ' A' ' 59' ' ' CYS . 3.7 t 74.98 43.43 0.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 27.9 mttm -102.1 94.22 5.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.879 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 33.5 mm -41.11 126.14 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.127 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.514 ' OG1' HD22 ' A' ' 35' ' ' LEU . 1.2 m -103.01 84.41 2.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.116 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 22.5 mmt85 -52.86 87.21 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.69 ' CD1' HD23 ' A' ' 74' ' ' LEU . 1.7 pt -149.72 116.92 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.112 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 15.2 t -72.73 -30.95 64.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.136 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.2 t -113.76 157.93 21.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.533 HD11 ' OE2' ' A' ' 47' ' ' GLU . 65.7 mt -68.79 -26.42 65.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.937 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 10.9 t -82.95 -24.41 33.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.139 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.509 ' HB3' HG22 ' A' ' 68' ' ' ILE . 4.0 mm100 -50.71 -55.52 16.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.873 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.69 HD23 ' CD1' ' A' ' 68' ' ' ILE . 2.2 pp -51.52 -175.1 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.918 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 58.0 m -83.26 126.28 32.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.151 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -68.72 151.38 46.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.818 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.796 ' OD1' HD13 ' A' ' 34' ' ' LEU . 3.0 t30 -125.9 68.4 1.18 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.947 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.758 HD13 ' H ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -81.3 -5.01 57.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.97 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.503 ' N ' HD22 ' A' ' 78' ' ' LEU . 9.9 t -56.63 -39.92 74.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.162 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.585 HG21 ' HB3' ' A' ' 32' ' ' PRO . 21.2 m -67.13 -32.26 56.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.167 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 40.1 mt . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.878 179.959 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 33.7 m . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.868 0.366 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 29.4 mt -44.22 -23.06 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -107.81 150.62 26.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.917 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.483 ' SG ' HG23 ' A' ' 41' ' ' ILE . 52.0 t -67.29 135.09 93.33 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.659 0.743 . . . . 0.0 110.841 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.558 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 54.1 Cg_endo -69.78 -0.42 6.91 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.675 2.25 . . . . 0.0 112.359 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.413 HD12 ' HB3' ' A' ' 45' ' ' CYS . 50.0 mt -111.45 -75.42 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.142 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.407 ' SG ' ' HB3' ' A' ' 18' ' ' CYS . 8.0 p -73.16 -29.57 62.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.441 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 79.3 mmm 69.91 40.04 1.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.492 ' HB3' ' CD1' ' A' ' 30' ' ' LEU . 29.9 mt-10 -116.73 124.07 48.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 23' ' ' GLU . 5.9 t -35.11 133.33 0.32 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.848 -179.788 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.427 ' CG ' ' HB3' ' A' ' 32' ' ' PRO . 36.3 m-85 -70.67 108.44 4.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.896 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.416 ' C ' ' N ' ' A' ' 28' ' ' GLU . 12.6 p -111.63 109.67 19.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.155 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -45.04 -20.95 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.416 ' N ' ' C ' ' A' ' 26' ' ' THR . 20.9 tt0 -67.12 -47.06 72.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.913 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -128.93 -76.38 0.56 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.909 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.492 ' CD1' ' HB3' ' A' ' 23' ' ' GLU . 59.8 mt -65.42 75.6 0.06 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.927 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -72.85 121.29 84.64 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.591 0.71 . . . . 0.0 110.879 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.503 ' HB3' HG21 ' A' ' 80' ' ' VAL . 53.3 Cg_endo -69.81 107.6 1.9 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.669 2.246 . . . . 0.0 112.327 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -110.9 131.98 54.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.727 HD22 ' OD1' ' A' ' 77' ' ' ASN . 5.9 tp -94.72 124.5 38.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.9 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.59 HD21 ' CD1' ' A' ' 46' ' ' LEU . 47.6 mt -79.0 162.3 26.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.961 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -61.68 -8.25 4.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.506 ' CB ' ' SG ' ' A' ' 62' ' ' CYS . 24.3 p -89.38 -45.91 9.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.696 ' O ' HD11 ' A' ' 34' ' ' LEU . . . 140.08 -23.68 2.73 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.519 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.438 ' O ' HD12 ' A' ' 34' ' ' LEU . 25.2 m170 -68.41 144.28 54.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.901 0.381 . . . . 0.0 110.838 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.687 HG21 ' ND2' ' A' ' 77' ' ' ASN . 74.9 m -108.49 118.19 36.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.15 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.483 HG23 ' SG ' ' A' ' 18' ' ' CYS . 53.9 mt -127.51 150.51 33.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.1 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.442 ' SG ' ' HB3' ' A' ' 44' ' ' GLN . 17.5 p -72.33 138.64 47.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -44.94 -32.78 1.74 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.442 ' HB3' ' SG ' ' A' ' 42' ' ' CYS . 9.6 tt0 -56.75 -51.32 69.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.467 ' HB2' ' CG2' ' A' ' 41' ' ' ILE . 56.6 m -70.71 -37.55 73.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.59 ' CD1' HD21 ' A' ' 35' ' ' LEU . 6.1 tp -66.6 -34.14 77.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.462 ' CD ' HD11 ' A' ' 71' ' ' LEU . 4.5 mm-40 -65.03 -48.49 73.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.48 -36.5 61.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.921 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 72.9 mt -77.42 -52.41 9.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.91 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.421 ' O ' ' C ' ' A' ' 51' ' ' ALA . 1.2 tt -54.92 -39.66 69.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.952 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 50' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.42 HG11 HD12 ' A' ' 46' ' ' LEU . 60.5 t -134.84 116.72 21.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.828 0.347 . . . . 0.0 111.112 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.463 ' CZ ' ' HB3' ' A' ' 58' ' ' ARG . 19.6 ttp-105 -78.13 117.51 19.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.82 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.478 ' O ' ' HA ' ' A' ' 63' ' ' SER . 36.5 t -73.89 125.67 90.1 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.647 0.736 . . . . 0.0 110.883 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 4.38 2.2 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.666 2.244 . . . . 0.0 112.34 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.558 ' CZ ' ' HB2' ' A' ' 19' ' ' PRO . 29.7 m-85 -109.53 -55.97 2.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.506 ' SG ' ' CB ' ' A' ' 37' ' ' CYS . 26.3 p -111.26 -8.95 14.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.857 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.478 ' HA ' ' O ' ' A' ' 59' ' ' CYS . 74.9 m 52.3 51.36 16.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 71.7 mttt -113.09 97.2 6.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.922 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 44.2 mm -40.95 124.29 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.126 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.541 ' OG1' HD22 ' A' ' 35' ' ' LEU . 5.4 m -76.99 -30.6 56.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.175 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 5.5 mmt-85 64.03 54.69 1.65 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.924 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.78 HD13 ' HB3' ' A' ' 74' ' ' LEU . 1.1 pt -133.25 118.75 33.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.103 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 9.7 t -63.95 -39.79 94.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.196 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 45.6 m -107.05 179.68 4.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.563 HD22 HD23 ' A' ' 46' ' ' LEU . 19.9 mt -89.21 -40.59 12.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 8.0 t -71.24 -12.79 61.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.103 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.461 ' HB3' HG22 ' A' ' 68' ' ' ILE . 11.6 mm100 -64.04 -57.09 10.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.936 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.78 ' HB3' HD13 ' A' ' 68' ' ' ILE . 0.5 OUTLIER -52.45 179.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 34' ' ' LEU . 21.4 m -74.4 131.33 40.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.14 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -78.96 147.83 32.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.727 ' OD1' HD22 ' A' ' 34' ' ' LEU . 4.2 t30 -120.98 61.52 0.89 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.922 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.751 HD13 ' H ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -74.9 -5.88 46.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.484 ' N ' HD22 ' A' ' 78' ' ' LEU . 9.9 t -54.53 -41.31 69.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.116 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.503 HG21 ' HB3' ' A' ' 32' ' ' PRO . 23.3 m -62.21 -35.77 70.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.156 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 42.8 mt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.95 179.926 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.4 m . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.866 0.365 . . . . 0.0 111.079 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.438 ' O ' ' CD2' ' A' ' 25' ' ' PHE . 20.5 mt -55.6 -18.14 7.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -107.42 153.37 22.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.902 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.446 ' O ' ' HA ' ' A' ' 22' ' ' MET . 53.9 t -66.58 136.29 94.79 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.638 0.732 . . . . 0.0 110.882 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.506 ' CD ' ' O ' ' A' ' 40' ' ' THR . 53.4 Cg_endo -69.77 0.5 5.56 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.636 2.224 . . . . 0.0 112.385 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 41.2 mt -115.12 -74.72 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.106 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 15.5 p -74.77 -26.13 59.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.446 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 16.3 mmt 63.86 52.47 2.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -120.38 129.56 53.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.789 ' O ' HG23 ' A' ' 26' ' ' THR . 65.5 p -41.79 105.09 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.77 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.459 ' CD2' HG21 ' A' ' 80' ' ' VAL . 17.9 m-85 -41.99 100.43 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.872 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.789 HG23 ' O ' ' A' ' 24' ' ' SER . 37.0 p -101.17 109.41 21.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.13 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -44.44 -38.3 3.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.94 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -45.82 -65.12 0.59 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.86 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 11.1 tp60 -116.67 -70.67 0.78 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.942 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 74.3 mt -65.86 75.44 0.08 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -80.73 128.58 71.38 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.586 0.708 . . . . 0.0 110.856 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.566 ' HB3' HG21 ' A' ' 80' ' ' VAL . 53.6 Cg_endo -69.75 119.59 6.52 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.651 2.234 . . . . 0.0 112.359 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm -121.8 132.57 54.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.875 HD11 ' O ' ' A' ' 38' ' ' GLY . 5.9 tp -96.47 132.74 41.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.699 HD21 ' CD1' ' A' ' 46' ' ' LEU . 63.4 mt -85.98 162.5 18.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -58.48 -10.94 2.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.805 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.415 ' SG ' ' HB2' ' A' ' 35' ' ' LEU . 29.3 p -89.23 -47.29 8.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.858 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.875 ' O ' HD11 ' A' ' 34' ' ' LEU . . . 142.18 -29.37 2.18 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.507 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.427 ' O ' HD12 ' A' ' 34' ' ' LEU . 28.6 m170 -62.36 142.91 57.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.895 0.379 . . . . 0.0 110.847 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.52 ' OG1' HD13 ' A' ' 34' ' ' LEU . 87.9 m -104.58 131.93 51.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.167 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.541 HG22 ' HB2' ' A' ' 45' ' ' CYS . 10.6 mt -140.46 145.49 25.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.153 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.431 ' SG ' ' HB3' ' A' ' 44' ' ' GLN . 17.5 p -71.7 131.55 43.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 42' ' ' CYS . 2.3 ppt_? -37.38 -34.57 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.431 ' HB3' ' SG ' ' A' ' 42' ' ' CYS . 7.8 tt0 -56.7 -50.22 72.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.935 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.541 ' HB2' HG22 ' A' ' 41' ' ' ILE . 52.0 m -71.25 -40.17 71.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.699 ' CD1' HD21 ' A' ' 35' ' ' LEU . 6.1 tp -62.04 -41.0 97.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.892 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.725 ' OE1' HD21 ' A' ' 71' ' ' LEU . 4.5 mm-40 -55.85 -51.4 67.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -51.21 -36.67 42.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.526 HD13 ' O ' ' A' ' 58' ' ' ARG . 95.9 mt -75.52 -54.55 6.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.884 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.439 ' O ' HD23 ' A' ' 50' ' ' LEU . 2.2 tt -52.69 -35.3 55.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.124 179.79 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.414 ' HA3' ' CG2' ' A' ' 65' ' ' ILE . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 88.6 t -100.77 133.23 44.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.844 0.354 . . . . 0.0 111.106 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.526 ' O ' HD13 ' A' ' 49' ' ' LEU . 24.6 ttm180 -87.22 125.25 34.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.467 ' O ' ' HA ' ' A' ' 63' ' ' SER . 16.9 t -84.35 126.1 70.26 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.659 0.742 . . . . 0.0 110.916 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 3.82 2.57 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.696 2.264 . . . . 0.0 112.349 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -110.09 -63.5 1.37 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.401 ' SG ' ' CB ' ' A' ' 37' ' ' CYS . 22.3 p -99.04 -20.06 16.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.902 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.467 ' HA ' ' O ' ' A' ' 59' ' ' CYS . 5.3 p 65.73 43.05 3.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -103.06 100.74 10.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.9 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.414 ' CG2' ' HA3' ' A' ' 56' ' ' GLY . 48.5 mm -45.66 120.17 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.151 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.588 HG22 HG12 ' A' ' 68' ' ' ILE . 7.5 m -95.37 84.82 4.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 5.2 mmm180 -51.65 87.72 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.826 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.588 HG12 HG22 ' A' ' 66' ' ' THR . 1.3 pt -149.48 106.27 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.124 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 12.0 t -63.46 -29.31 70.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.155 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 50.3 m -112.73 165.87 11.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.725 HD21 ' OE1' ' A' ' 47' ' ' GLU . 91.2 mt -77.29 -28.76 53.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.906 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 8.7 t -83.42 -22.46 32.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.11 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.533 ' HB3' HG22 ' A' ' 68' ' ' ILE . 8.0 mm100 -50.8 -51.94 45.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.911 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.437 ' CA ' HG21 ' A' ' 68' ' ' ILE . 1.4 pp -52.59 -174.5 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.948 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 85.6 m -83.77 126.12 32.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.127 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -72.18 148.96 45.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.842 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.807 ' ND2' HD22 ' A' ' 34' ' ' LEU . 3.0 t-20 -125.25 67.4 1.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.743 HD13 ' H ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -78.98 12.47 2.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.938 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.3 t -76.63 -39.66 51.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.566 HG21 ' HB3' ' A' ' 32' ' ' PRO . 31.3 m -67.92 -26.91 35.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.151 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 87.3 mt . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 179.934 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 21.7 m . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.859 0.361 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 28.3 mt -47.5 -20.73 0.26 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -110.03 149.91 29.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.887 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.442 ' O ' ' HA ' ' A' ' 22' ' ' MET . 53.3 t -62.76 134.38 95.41 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.594 0.711 . . . . 0.0 110.904 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.485 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 54.0 Cg_endo -69.74 1.18 4.66 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.72 2.28 . . . . 0.0 112.336 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.488 HD12 ' HB3' ' A' ' 45' ' ' CYS . 25.4 mt -111.95 -74.59 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.158 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.414 ' SG ' ' HB3' ' A' ' 18' ' ' CYS . 6.0 p -73.77 -25.62 60.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.442 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 85.7 mmm 66.43 40.94 3.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.88 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -117.87 126.67 52.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.933 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.606 ' O ' HG23 ' A' ' 26' ' ' THR . 8.3 t -38.11 125.71 1.26 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 -179.743 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.565 ' CD2' HG21 ' A' ' 80' ' ' VAL . 29.3 m-85 -59.96 100.08 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.606 HG23 ' O ' ' A' ' 24' ' ' SER . 24.0 p -101.15 99.1 9.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.18 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 26' ' ' THR . 1.3 pp20? -36.95 -40.49 0.29 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -44.52 -59.87 2.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -118.28 -70.35 0.8 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.944 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 59.7 mt -69.67 82.91 0.43 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.938 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 56.1 mtm-85 -81.94 126.53 74.87 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.604 0.716 . . . . 0.0 110.897 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.603 ' HB3' HG21 ' A' ' 80' ' ' VAL . 53.9 Cg_endo -69.8 115.59 4.17 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.632 2.222 . . . . 0.0 112.389 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.444 ' NZ ' ' O ' ' A' ' 71' ' ' LEU . 14.2 mmmt -112.33 142.51 44.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.888 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.615 HD11 ' O ' ' A' ' 38' ' ' GLY . 6.7 tp -110.26 132.39 54.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.954 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.769 HD22 ' OG1' ' A' ' 66' ' ' THR . 90.3 mt -92.52 162.63 14.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -60.85 -8.45 3.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 30.0 p -88.48 -43.18 11.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.615 ' O ' HD11 ' A' ' 34' ' ' LEU . . . 136.2 -30.65 2.7 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.454 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.406 ' CE1' ' HB3' ' A' ' 61' ' ' PHE . 23.1 m170 -61.1 141.17 57.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.847 0.356 . . . . 0.0 110.886 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.423 ' OG1' HD13 ' A' ' 34' ' ' LEU . 27.7 m -107.16 122.52 46.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.139 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.471 HG22 ' HB2' ' A' ' 45' ' ' CYS . 11.2 mt -130.7 148.22 33.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.1 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.443 ' SG ' ' HB3' ' A' ' 44' ' ' GLN . 16.8 p -72.13 148.66 45.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.4 ' HD2' ' C ' ' A' ' 43' ' ' ARG . 5.3 ppt_? -50.9 -36.64 39.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.443 ' HB3' ' SG ' ' A' ' 42' ' ' CYS . 7.5 tt0 -53.6 -51.87 61.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.488 ' HB3' HD12 ' A' ' 20' ' ' ILE . 76.8 m -72.75 -41.69 64.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.787 HD23 HD22 ' A' ' 71' ' ' LEU . 5.9 tp -61.09 -33.65 73.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.745 ' OE1' HD21 ' A' ' 71' ' ' LEU . 5.0 mm-40 -67.04 -49.69 64.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.928 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -50.62 -32.71 19.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.904 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 70.8 mt -84.08 -55.47 4.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.929 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.2 tt -50.0 -41.83 47.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.082 179.807 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.465 ' HA3' ' CG2' ' A' ' 65' ' ' ILE . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.486 -0.245 . . . . 0.0 112.486 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 60.5 t -87.49 130.65 36.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.824 0.345 . . . . 0.0 111.11 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.437 ' HB3' ' NH1' ' A' ' 58' ' ' ARG . 20.5 ttp-105 -91.29 116.93 29.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.824 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 63' ' ' SER . 33.3 t -71.82 121.16 83.75 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.637 0.732 . . . . 0.0 110.904 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 3.3 2.84 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.695 2.263 . . . . 0.0 112.349 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.485 ' CZ ' ' HB2' ' A' ' 19' ' ' PRO . 33.3 m-85 -104.46 -55.35 2.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 24.8 p -109.04 -22.97 11.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.85 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.415 ' HA ' ' O ' ' A' ' 59' ' ' CYS . 8.5 t 71.13 48.74 0.36 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.865 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 76.8 mttt -114.18 100.74 8.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.465 ' CG2' ' HA3' ' A' ' 56' ' ' GLY . 44.9 mm -45.45 124.34 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.148 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.769 ' OG1' HD22 ' A' ' 35' ' ' LEU . 7.5 m -76.91 -28.45 55.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.174 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 10.7 mmm180 60.99 53.29 3.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.776 ' CD1' HD23 ' A' ' 74' ' ' LEU . 1.8 pt -131.47 116.98 33.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.135 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 11.9 t -84.46 34.93 0.53 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.088 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.472 ' O ' HD12 ' A' ' 68' ' ' ILE . 2.9 m -175.68 151.71 1.2 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.842 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.787 HD22 HD23 ' A' ' 46' ' ' LEU . 59.7 mt -70.73 -23.5 62.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 13.2 t -87.72 -26.9 22.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.158 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 -51.31 -60.81 2.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.776 HD23 ' CD1' ' A' ' 68' ' ' ILE . 2.3 pp -51.31 -175.14 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.948 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 98.8 m -87.43 127.14 35.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.104 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -71.68 156.23 39.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -127.43 68.31 1.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.641 HD13 ' H ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -85.02 16.26 3.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.4 t -83.36 -30.06 27.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.119 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.603 HG21 ' HB3' ' A' ' 32' ' ' PRO . 15.3 m -72.65 -26.9 24.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.085 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 74.1 mt . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.881 179.974 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.474 ' O ' ' N ' ' A' ' 17' ' ' GLU . 33.0 m . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.899 0.381 . . . . 0.0 111.128 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.9 mt -39.95 -25.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.913 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 15' ' ' VAL . 4.3 mt-10 -109.32 150.31 28.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.452 ' O ' ' HA ' ' A' ' 22' ' ' MET . 53.6 t -62.85 135.87 96.2 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.595 0.712 . . . . 0.0 110.85 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.58 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 53.6 Cg_endo -69.75 0.22 5.95 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.69 2.26 . . . . 0.0 112.329 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.558 HD11 HD13 ' A' ' 41' ' ' ILE . 47.6 mt -114.71 -74.06 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.122 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 20.8 p -75.82 -27.03 57.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.452 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 7.1 mmt 66.07 49.33 1.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.466 ' HB3' HD13 ' A' ' 30' ' ' LEU . 5.5 mm-40 -119.22 126.81 52.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 99.9 p -39.85 121.19 1.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.836 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.596 ' CD2' HG21 ' A' ' 80' ' ' VAL . 31.0 m-85 -59.84 106.69 0.52 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.887 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.71 ' O ' HD21 ' A' ' 81' ' ' LEU . 39.0 p -85.56 -174.44 5.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.146 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.436 ' HG2' HD22 ' A' ' 81' ' ' LEU . 2.3 mm-40 -96.4 -63.61 1.13 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -83.99 27.13 0.67 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.5 ' O ' ' C ' ' A' ' 30' ' ' LEU . 3.0 tp60 -173.38 171.35 4.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.5 ' C ' ' O ' ' A' ' 29' ' ' GLN . 25.5 mt 30.22 45.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.937 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.9 mtp85 -58.69 128.73 84.18 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.637 0.732 . . . . 0.0 110.877 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.539 ' HB3' HG21 ' A' ' 80' ' ' VAL . 53.6 Cg_endo -69.8 113.34 3.35 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.652 2.235 . . . . 0.0 112.359 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.403 ' NZ ' ' HB3' ' A' ' 71' ' ' LEU . 3.0 mmmm -112.28 130.55 55.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.664 HD11 ' O ' ' A' ' 38' ' ' GLY . 6.8 tp -97.76 132.75 43.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.583 HD22 ' OG1' ' A' ' 66' ' ' THR . 87.2 mt -91.49 162.61 14.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.914 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.42 ' H ' HG23 ' A' ' 66' ' ' THR . 0.5 OUTLIER -62.34 -6.95 3.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 179.846 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.401 ' SG ' ' HB2' ' A' ' 35' ' ' LEU . 29.9 p -88.92 -45.14 9.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.664 ' O ' HD11 ' A' ' 34' ' ' LEU . . . 139.33 -30.2 2.45 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.473 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.452 ' O ' HD12 ' A' ' 34' ' ' LEU . 26.4 m170 -64.24 144.21 57.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.847 0.356 . . . . 0.0 110.869 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.484 ' OG1' HD13 ' A' ' 34' ' ' LEU . 28.7 m -110.7 122.61 48.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.186 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.558 HD13 HD11 ' A' ' 20' ' ' ILE . 55.7 mt -131.15 152.26 37.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.134 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.446 ' SG ' ' HB3' ' A' ' 44' ' ' GLN . 16.3 p -72.03 147.51 46.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.528 ' HG3' ' N ' ' A' ' 44' ' ' GLN . 3.3 ptt180 -53.04 -32.19 45.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.528 ' N ' ' HG3' ' A' ' 43' ' ' ARG . 17.6 tt0 -57.81 -45.07 86.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.922 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.489 ' HB2' ' CG2' ' A' ' 41' ' ' ILE . 92.7 m -79.81 -32.07 40.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.743 HD23 HD22 ' A' ' 71' ' ' LEU . 5.2 tp -70.27 -33.29 71.41 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.628 ' OE2' HD11 ' A' ' 71' ' ' LEU . 4.6 mm-40 -68.75 -45.91 70.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.88 -30.02 65.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.901 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 95.9 mt -85.37 -51.55 6.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.935 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.645 HD13 HD23 ' A' ' 71' ' ' LEU . 1.7 tt -53.32 -42.19 66.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.89 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.109 179.781 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.402 ' HA3' ' CG2' ' A' ' 65' ' ' ILE . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.471 HG22 ' HA ' ' A' ' 50' ' ' LEU . 86.1 t -135.35 113.65 15.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.797 0.332 . . . . 0.0 111.128 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.434 ' HB3' ' NH1' ' A' ' 58' ' ' ARG . 20.5 ttp-105 -73.74 118.49 16.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.451 ' O ' ' HA ' ' A' ' 63' ' ' SER . 35.4 t -71.41 127.99 90.57 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.614 0.721 . . . . 0.0 110.913 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 3.6 2.68 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.676 2.251 . . . . 0.0 112.343 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.58 ' CZ ' ' HB2' ' A' ' 19' ' ' PRO . 28.7 m-85 -112.9 -59.01 2.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 26.6 p -103.15 -18.93 14.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.451 ' HA ' ' O ' ' A' ' 59' ' ' CYS . 5.7 t 61.86 46.32 6.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.833 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 38.6 mttm -110.23 95.0 5.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.855 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.402 ' CG2' ' HA3' ' A' ' 56' ' ' GLY . 45.7 mm -37.73 124.75 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.154 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.583 ' OG1' HD22 ' A' ' 35' ' ' LEU . 18.1 m -77.41 -28.48 52.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 7.2 mmt180 64.88 54.84 1.26 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.659 ' CD1' HD23 ' A' ' 74' ' ' LEU . 1.1 pt -132.23 124.55 52.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.158 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.41 HG23 ' OE1' ' A' ' 73' ' ' GLN . 1.2 p -68.49 -46.39 69.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.131 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.2 p -104.29 173.29 6.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.743 HD22 HD23 ' A' ' 46' ' ' LEU . 15.8 mt -79.87 -41.4 26.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 11.2 t -68.23 -7.39 30.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.166 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.608 ' HB3' HG22 ' A' ' 68' ' ' ILE . 2.9 mt-30 -67.26 -61.55 1.86 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.659 HD23 ' CD1' ' A' ' 68' ' ' ILE . 1.7 pp -49.23 -179.53 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.466 ' O ' ' N ' ' A' ' 34' ' ' LEU . 85.7 m -77.5 135.5 38.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.171 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -82.43 150.6 27.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.464 ' ND2' HG22 ' A' ' 79' ' ' THR . 24.2 t-20 -124.36 67.25 1.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.868 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.705 HD13 ' H ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -81.75 14.94 2.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.943 179.913 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.464 HG22 ' ND2' ' A' ' 77' ' ' ASN . 15.2 t -79.21 -31.21 43.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.118 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.596 HG21 ' CD2' ' A' ' 25' ' ' PHE . 18.7 m -78.37 -26.55 14.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.122 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.71 HD21 ' O ' ' A' ' 26' ' ' THR . 64.5 mt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 17' ' ' GLU . 34.1 m . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.837 0.351 . . . . 0.0 111.127 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 66.0 mt -41.21 -24.88 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.951 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 15' ' ' VAL . 9.7 mt-10 -106.1 152.52 23.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.884 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.457 ' O ' ' HA ' ' A' ' 22' ' ' MET . 53.3 t -68.04 135.89 91.78 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.641 0.734 . . . . 0.0 110.843 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.527 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 53.3 Cg_endo -69.8 0.45 5.66 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.693 2.262 . . . . 0.0 112.32 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.508 HD12 ' HB3' ' A' ' 45' ' ' CYS . 36.1 mt -113.81 -75.29 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.152 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 11.1 p -73.57 -26.91 61.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.879 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.457 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 7.8 mmt 67.54 43.13 1.96 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.896 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.42 ' HB3' ' CD1' ' A' ' 30' ' ' LEU . 28.0 mm-40 -117.64 126.85 53.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 23' ' ' GLU . 6.3 t -36.28 129.75 0.7 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.866 -179.795 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.602 ' CD2' HG21 ' A' ' 80' ' ' VAL . 15.4 m-85 -66.64 101.07 0.74 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.88 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 46.0 p -96.16 137.85 34.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.104 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -82.02 11.49 5.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -106.72 -43.86 4.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -126.63 -68.54 0.8 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.929 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.42 ' CD1' ' HB3' ' A' ' 23' ' ' GLU . 21.7 mt -78.76 82.03 5.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 38.1 mtp180 -81.15 128.32 71.11 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.596 0.713 . . . . 0.0 110.847 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.617 ' HB3' HG21 ' A' ' 80' ' ' VAL . 54.0 Cg_endo -69.72 121.58 8.27 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.714 2.276 . . . . 0.0 112.392 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.9 mmmt -119.11 136.92 53.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.928 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.604 HD11 ' O ' ' A' ' 38' ' ' GLY . 5.9 tp -104.69 128.17 52.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.473 HD21 ' CD1' ' A' ' 46' ' ' LEU . 70.8 mt -86.53 162.5 18.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.969 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.414 ' H ' HG23 ' A' ' 66' ' ' THR . 0.4 OUTLIER -62.27 -7.28 4.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 179.927 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.4 p -90.33 -44.13 9.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.604 ' O ' HD11 ' A' ' 34' ' ' LEU . . . 139.47 -32.14 2.27 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.492 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.405 ' ND1' ' HB2' ' A' ' 61' ' ' PHE . 23.4 m170 -60.92 140.86 57.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.87 0.367 . . . . 0.0 110.855 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.453 ' O ' ' CD ' ' A' ' 19' ' ' PRO . 4.5 m -107.54 119.59 39.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.126 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.504 HD13 HD11 ' A' ' 20' ' ' ILE . 45.1 mt -129.0 149.18 33.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.1 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.45 ' SG ' ' HB3' ' A' ' 44' ' ' GLN . 16.1 p -71.97 143.15 49.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.853 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.489 ' HG3' ' N ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -47.82 -36.92 12.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.489 ' N ' ' HG3' ' A' ' 43' ' ' ARG . 31.4 tt0 -53.91 -47.17 71.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.508 ' HB3' HD12 ' A' ' 20' ' ' ILE . 58.0 m -76.13 -34.66 59.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.745 HD23 HD22 ' A' ' 71' ' ' LEU . 5.8 tp -67.02 -31.89 72.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -65.02 -47.21 78.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.14 -37.22 64.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.916 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 58.4 mt -79.22 -50.27 11.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.656 HD13 HD23 ' A' ' 71' ' ' LEU . 1.5 tt -58.54 -31.03 67.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.054 179.825 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.41 ' HA3' ' CG2' ' A' ' 65' ' ' ILE . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.439 HG11 HD12 ' A' ' 46' ' ' LEU . 89.5 t -117.16 101.89 12.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.778 0.323 . . . . 0.0 111.142 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 23.0 ttm180 -63.91 114.58 4.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.484 ' O ' ' N ' ' A' ' 63' ' ' SER . 18.8 t -68.43 124.23 89.42 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.579 0.704 . . . . 0.0 110.886 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 3.97 2.46 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.706 2.27 . . . . 0.0 112.352 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.527 ' CZ ' ' HB2' ' A' ' 19' ' ' PRO . 28.4 m-85 -110.87 -52.37 2.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 27.7 p -113.06 -11.73 13.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.484 ' N ' ' O ' ' A' ' 59' ' ' CYS . 63.6 m 53.86 51.69 14.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.827 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.467 ' O ' ' C ' ' A' ' 65' ' ' ILE . 49.0 mttm -114.77 88.42 2.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.467 ' C ' ' O ' ' A' ' 64' ' ' LYS . 29.3 mm -30.93 129.77 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.434 ' CG2' HG12 ' A' ' 68' ' ' ILE . 21.6 m -86.25 -27.25 24.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.124 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 20.5 mmt180 64.47 53.76 1.59 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.911 HD13 ' HB3' ' A' ' 74' ' ' LEU . 2.2 pt -134.59 105.34 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.153 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.434 HG22 ' OE1' ' A' ' 73' ' ' GLN . 5.8 t -61.68 -30.53 70.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.121 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.2 t -106.12 168.38 9.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.745 HD22 HD23 ' A' ' 46' ' ' LEU . 49.4 mt -85.37 -21.76 28.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.932 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 15.2 t -88.83 -24.93 22.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.166 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.496 ' HB3' HG22 ' A' ' 68' ' ' ILE . 16.7 mt-30 -50.22 -52.91 31.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.911 ' HB3' HD13 ' A' ' 68' ' ' ILE . 2.4 pp -53.69 -174.21 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 86.9 m -88.14 123.83 33.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.196 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -68.93 153.18 44.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.874 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.453 ' OD1' HG22 ' A' ' 80' ' ' VAL . 22.8 t-20 -124.76 66.98 1.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.943 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.718 HD13 ' H ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -80.98 12.87 3.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.7 t -79.69 -35.7 38.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.131 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.617 HG21 ' HB3' ' A' ' 32' ' ' PRO . 17.1 m -70.76 -23.94 24.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.121 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 21.8 mt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.95 179.97 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 28.2 m . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.889 0.376 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 27.6 mt -44.83 -23.17 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.965 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -112.04 140.81 46.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.462 ' O ' ' HA ' ' A' ' 22' ' ' MET . 53.5 t -55.07 135.77 67.64 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.635 0.731 . . . . 0.0 110.879 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.535 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 53.9 Cg_endo -69.73 0.18 6.0 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.744 2.296 . . . . 0.0 112.363 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 30.3 mt -113.41 -73.86 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.121 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.4 ' SG ' ' HB3' ' A' ' 18' ' ' CYS . 11.2 p -75.59 -26.71 58.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.877 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.462 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 14.9 mmt 66.41 51.54 1.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.844 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.442 ' HB3' ' CD1' ' A' ' 30' ' ' LEU . 15.4 mt-10 -121.08 135.0 55.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.866 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 24.3 p -44.7 130.44 7.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.53 ' CG ' ' HB3' ' A' ' 32' ' ' PRO . 28.8 m-85 -75.36 101.02 4.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.5 t -121.8 137.04 54.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.115 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -75.88 48.72 0.49 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -132.97 -44.04 0.87 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 42.0 tp60 -132.55 -35.48 1.13 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.941 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.442 ' CD1' ' HB3' ' A' ' 23' ' ' GLU . 4.7 mt -121.69 107.37 12.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.972 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 64.2 mtm180 -96.62 124.02 52.09 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.591 0.71 . . . . 0.0 110.883 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.53 ' HB3' ' CG ' ' A' ' 25' ' ' PHE . 53.9 Cg_endo -69.84 113.71 3.48 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.696 2.264 . . . . 0.0 112.332 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.8 mmmt -114.16 134.05 55.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.792 HD11 ' O ' ' A' ' 38' ' ' GLY . 5.7 tp -98.05 129.13 44.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.912 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.744 HD21 ' CD1' ' A' ' 46' ' ' LEU . 84.8 mt -85.36 162.64 18.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.939 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -58.95 -10.12 2.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.463 ' CB ' ' HD2' ' A' ' 64' ' ' LYS . 28.9 p -89.16 -47.02 8.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.862 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.792 ' O ' HD11 ' A' ' 34' ' ' LEU . . . 141.05 -29.49 2.31 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.48 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 28.5 m170 -61.89 142.76 57.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.88 0.371 . . . . 0.0 110.837 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.507 ' O ' ' CD ' ' A' ' 19' ' ' PRO . 90.4 m -105.41 123.52 48.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.112 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.54 HG22 ' HB2' ' A' ' 45' ' ' CYS . 10.6 mt -130.87 146.11 34.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.112 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.468 ' SG ' ' HB3' ' A' ' 44' ' ' GLN . 19.0 p -71.46 135.81 47.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.413 ' C ' ' HD3' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -41.81 -31.49 0.32 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.84 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.468 ' HB3' ' SG ' ' A' ' 42' ' ' CYS . 7.6 tt0 -58.85 -50.25 74.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.54 ' HB2' HG22 ' A' ' 41' ' ' ILE . 63.6 m -72.44 -41.4 66.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.853 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.744 ' CD1' HD21 ' A' ' 35' ' ' LEU . 5.6 tp -63.46 -36.95 85.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.579 ' CD ' HD11 ' A' ' 71' ' ' LEU . 3.5 mm-40 -60.14 -49.69 76.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.66 -36.55 57.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 90.4 mt -77.33 -54.03 6.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.925 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.415 ' HA ' HG22 ' A' ' 57' ' ' VAL . 3.3 tt -52.38 -43.48 64.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.133 179.739 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.415 HG22 ' HA ' ' A' ' 50' ' ' LEU . 47.6 t -89.86 135.84 25.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.804 0.335 . . . . 0.0 111.12 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 56.3 ttp85 -94.01 118.24 31.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.43 ' O ' ' HA ' ' A' ' 63' ' ' SER . 34.4 t -71.89 127.2 90.99 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.624 0.726 . . . . 0.0 110.901 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 2.96 3.08 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.722 2.281 . . . . 0.0 112.281 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.535 ' CZ ' ' HB2' ' A' ' 19' ' ' PRO . 24.4 m-85 -109.74 -67.13 1.01 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.873 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 27.4 p -97.72 -21.09 17.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.865 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.43 ' HA ' ' O ' ' A' ' 59' ' ' CYS . 20.2 m 66.26 45.57 2.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.467 ' O ' ' C ' ' A' ' 65' ' ' ILE . 85.9 mttt -99.44 87.31 3.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.467 ' C ' ' O ' ' A' ' 64' ' ' LYS . 42.7 mm -32.52 125.68 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.134 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.434 ' O ' ' N ' ' A' ' 68' ' ' ILE . 0.8 OUTLIER -104.83 82.58 1.9 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.178 179.92 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.7 mpt_? -51.52 90.07 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.87 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.526 HG22 ' HB3' ' A' ' 73' ' ' GLN . 1.1 pt -151.73 106.98 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.111 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.467 ' N ' ' OE1' ' A' ' 73' ' ' GLN . 3.6 t -62.41 -36.94 83.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.152 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.6 t -107.05 161.17 14.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.657 ' CD2' HD23 ' A' ' 46' ' ' LEU . 27.6 mt -75.09 -26.47 59.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.959 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 7.0 t -85.07 -7.46 59.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.093 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.526 ' HB3' HG22 ' A' ' 68' ' ' ILE . 10.1 mt-30 -67.84 -53.94 22.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.917 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.496 ' C ' HD12 ' A' ' 74' ' ' LEU . 1.6 pp -53.78 -174.26 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.954 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 85.4 m -82.96 129.53 35.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.16 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.39 149.8 31.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.851 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.459 ' OD1' HD22 ' A' ' 34' ' ' LEU . 24.8 t30 -124.58 66.26 1.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.622 HD13 ' H ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -82.12 19.67 1.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.2 t -84.94 -34.8 22.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.172 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.483 ' CG2' ' HG3' ' A' ' 32' ' ' PRO . 18.7 m -68.87 -34.94 67.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.133 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.526 HD23 ' O ' ' A' ' 25' ' ' PHE . 5.0 mt . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 17' ' ' GLU . 33.8 m . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.895 0.379 . . . . 0.0 111.154 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.48 ' O ' ' CD2' ' A' ' 25' ' ' PHE . 23.2 mt -41.46 -24.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.939 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 15' ' ' VAL . 4.2 mt-10 -106.0 135.61 47.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.454 ' O ' ' HA ' ' A' ' 22' ' ' MET . 53.8 t -51.53 136.66 32.78 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.611 0.719 . . . . 0.0 110.94 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.405 ' HD2' ' SG ' ' A' ' 18' ' ' CYS . 53.8 Cg_endo -69.81 0.41 5.72 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.677 2.251 . . . . 0.0 112.305 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.508 HD12 ' HB3' ' A' ' 45' ' ' CYS . 16.5 mt -114.3 -74.35 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.097 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.403 ' SG ' ' HB3' ' A' ' 18' ' ' CYS . 8.6 p -74.81 -25.84 59.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.867 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.454 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 3.9 mmt 63.08 45.53 5.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.432 ' HB3' ' CD1' ' A' ' 30' ' ' LEU . 23.4 mm-40 -114.66 126.33 54.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.713 ' O ' HG23 ' A' ' 26' ' ' THR . 31.8 p -37.13 103.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.89 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.557 ' CD2' HG11 ' A' ' 80' ' ' VAL . 17.0 m-85 -39.77 99.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.865 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.713 HG23 ' O ' ' A' ' 24' ' ' SER . 58.7 p -97.07 131.34 43.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.13 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -72.64 -18.11 61.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -70.21 -53.11 18.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -122.79 -70.62 0.77 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.432 ' CD1' ' HB3' ' A' ' 23' ' ' GLU . 34.0 mt -68.78 70.91 0.2 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 30.8 mtm105 -73.55 122.33 87.34 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.61 0.719 . . . . 0.0 110.895 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.533 ' HB3' ' CG ' ' A' ' 25' ' ' PHE . 53.9 Cg_endo -69.83 123.63 10.27 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.653 2.236 . . . . 0.0 112.351 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.463 ' HB3' HD11 ' A' ' 74' ' ' LEU . 0.4 OUTLIER -123.93 143.53 50.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 179.918 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.688 HD11 ' O ' ' A' ' 38' ' ' GLY . 6.7 tp -103.04 132.64 49.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.593 HD21 ' CD1' ' A' ' 46' ' ' LEU . 75.3 mt -88.22 162.84 16.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.826 ' CD2' HG23 ' A' ' 66' ' ' THR . 21.3 m170 -61.93 -7.47 3.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.832 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.401 ' SG ' ' HB2' ' A' ' 35' ' ' LEU . 26.6 p -89.28 -48.34 7.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.688 ' O ' HD11 ' A' ' 34' ' ' LEU . . . 142.31 -25.9 2.32 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.468 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.467 ' O ' HD12 ' A' ' 34' ' ' LEU . 30.2 m170 -69.28 146.84 51.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.855 0.359 . . . . 0.0 110.869 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.575 HG21 ' OD1' ' A' ' 77' ' ' ASN . 98.6 m -109.93 125.72 53.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.175 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.481 ' CG2' ' HB2' ' A' ' 45' ' ' CYS . 56.0 mt -134.38 150.91 31.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.089 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.461 ' SG ' ' HB3' ' A' ' 44' ' ' GLN . 19.3 p -74.84 145.51 42.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.891 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.4 ' HG3' ' N ' ' A' ' 44' ' ' GLN . 0.5 OUTLIER -47.07 -37.03 8.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.906 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.461 ' HB3' ' SG ' ' A' ' 42' ' ' CYS . 17.1 tt0 -53.41 -58.45 7.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.508 ' HB3' HD12 ' A' ' 20' ' ' ILE . 95.8 m -65.29 -42.19 93.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.767 HD21 HD21 ' A' ' 74' ' ' LEU . 5.2 tp -62.34 -28.64 69.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.91 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.874 ' OE2' HD11 ' A' ' 71' ' ' LEU . 5.3 mm-40 -69.67 -47.35 63.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -53.51 -34.69 59.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.853 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.438 ' CD1' ' HD3' ' A' ' 60' ' ' PRO . 95.1 mt -80.35 -54.22 5.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.906 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.495 HD13 HD23 ' A' ' 71' ' ' LEU . 1.4 tt -52.52 -43.86 65.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.941 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.111 179.766 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.415 ' HA3' HG23 ' A' ' 65' ' ' ILE . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.407 HG21 HD12 ' A' ' 50' ' ' LEU . 57.2 t -80.51 119.97 31.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.843 0.354 . . . . 0.0 111.093 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 41.3 ttt-85 -85.27 116.48 23.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.85 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.437 ' O ' ' HA ' ' A' ' 63' ' ' SER . 53.2 t -64.23 128.95 93.77 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.583 0.706 . . . . 0.0 110.917 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.438 ' HD3' ' CD1' ' A' ' 49' ' ' LEU . 53.7 Cg_endo -69.73 3.25 2.87 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.663 2.242 . . . . 0.0 112.327 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -115.59 -63.36 1.46 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.855 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 31.7 p -100.27 -12.5 19.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.437 ' HA ' ' O ' ' A' ' 59' ' ' CYS . 89.5 p 51.65 47.04 25.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.468 ' O ' ' C ' ' A' ' 65' ' ' ILE . 26.1 mtpt -100.12 87.82 3.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.892 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.468 ' C ' ' O ' ' A' ' 64' ' ' LYS . 44.4 mm -32.15 123.95 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.116 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.826 HG23 ' CD2' ' A' ' 36' ' ' HIS . 17.9 m -83.4 -29.02 28.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.124 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 8.5 mmt180 63.75 53.99 1.89 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.589 ' CD1' HD23 ' A' ' 74' ' ' LEU . 1.5 pt -123.3 156.86 29.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.105 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 12.3 t -122.62 31.69 6.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.092 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.407 ' C ' ' N ' ' A' ' 72' ' ' THR . 1.4 t -175.54 128.33 0.26 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.856 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.874 HD11 ' OE2' ' A' ' 47' ' ' GLU . 46.2 mt -43.68 -22.95 0.06 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.933 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.425 ' O ' ' C ' ' A' ' 73' ' ' GLN . 9.0 t -90.6 -38.13 13.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.177 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.472 ' HB3' HG22 ' A' ' 68' ' ' ILE . 11.6 mm100 -35.65 -59.85 0.54 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.767 HD21 HD21 ' A' ' 46' ' ' LEU . 1.9 pp -50.86 -175.35 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.916 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.427 HG22 ' N ' ' A' ' 76' ' ' ASP . 88.1 m -79.81 154.77 28.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.161 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.427 ' N ' HG22 ' A' ' 75' ' ' THR . 2.8 m-20 -98.29 154.75 17.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.879 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.695 ' OD1' HG13 ' A' ' 80' ' ' VAL . 27.9 t-20 -127.8 59.72 1.46 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.776 HD13 ' H ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -72.49 2.42 6.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.952 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.433 ' N ' HD22 ' A' ' 78' ' ' LEU . 15.3 t -67.61 -36.03 80.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.208 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.695 HG13 ' OD1' ' A' ' 77' ' ' ASN . 34.1 m -68.37 -33.4 60.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.118 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 14.1 mt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.906 179.972 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 32.7 m . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.929 0.395 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.419 ' O ' ' CD2' ' A' ' 25' ' ' PHE . 16.6 mt -43.88 -27.72 0.38 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -104.19 157.44 17.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.926 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.433 ' O ' ' HA ' ' A' ' 22' ' ' MET . 54.1 t -69.62 135.38 88.24 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.66 0.743 . . . . 0.0 110.864 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.501 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 53.1 Cg_endo -69.81 0.67 5.35 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.698 2.265 . . . . 0.0 112.304 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.543 HD12 ' HB3' ' A' ' 45' ' ' CYS . 35.2 mt -112.1 -73.92 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.149 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 6.5 p -75.77 -28.69 58.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.859 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.433 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 82.2 mmm 69.08 45.13 0.93 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -116.59 124.03 48.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.702 ' O ' HG23 ' A' ' 26' ' ' THR . 58.4 p -39.66 105.19 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.823 -179.766 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.559 ' CD2' HG21 ' A' ' 80' ' ' VAL . 22.3 m-85 -35.79 98.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.872 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.702 HG23 ' O ' ' A' ' 24' ' ' SER . 30.6 p -97.11 98.21 9.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.165 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 26' ' ' THR . 2.2 tt0 -37.11 -39.44 0.25 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.924 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -46.66 -61.54 1.79 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.837 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -116.23 -73.01 0.66 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.943 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.8 mt -66.35 83.6 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.93 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 20.6 mtt85 -84.3 128.62 61.31 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.569 0.7 . . . . 0.0 110.915 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.534 ' HB3' HG21 ' A' ' 80' ' ' VAL . 53.8 Cg_endo -69.72 115.28 4.01 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.718 2.279 . . . . 0.0 112.363 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.474 ' CB ' HD22 ' A' ' 46' ' ' LEU . 14.0 mmmt -115.62 133.29 56.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.934 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.636 HD11 ' O ' ' A' ' 38' ' ' GLY . 5.9 tp -96.03 131.92 41.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 93.3 mt -88.57 162.09 16.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.446 ' CG ' HG23 ' A' ' 66' ' ' THR . 23.8 m170 -62.96 -6.98 4.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 27.9 p -89.36 -46.99 8.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.636 ' O ' HD11 ' A' ' 34' ' ' LEU . . . 142.59 -29.14 2.15 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.487 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.405 ' O ' HD12 ' A' ' 34' ' ' LEU . 31.0 m170 -67.58 145.8 54.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.888 0.375 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.454 ' OG1' HD13 ' A' ' 34' ' ' LEU . 67.2 m -108.11 127.78 54.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.485 HG22 ' HB2' ' A' ' 45' ' ' CYS . 26.6 mt -133.57 149.38 30.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.473 ' SG ' ' HB3' ' A' ' 44' ' ' GLN . 15.6 p -71.76 149.89 44.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.43 ' HG3' ' N ' ' A' ' 44' ' ' GLN . 4.7 ppt_? -51.97 -36.87 51.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.473 ' HB3' ' SG ' ' A' ' 42' ' ' CYS . 8.9 tt0 -54.02 -47.69 71.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.543 ' HB3' HD12 ' A' ' 20' ' ' ILE . 84.3 m -80.09 -37.72 33.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.743 HD21 HD21 ' A' ' 74' ' ' LEU . 11.4 tp -62.65 -33.68 75.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.946 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.971 ' OE2' HD11 ' A' ' 71' ' ' LEU . 5.9 mm-40 -69.02 -53.19 21.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.31 -32.24 47.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.941 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 89.4 mt -80.61 -42.46 22.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.915 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.439 ' HA ' HG22 ' A' ' 57' ' ' VAL . 1.9 tt -62.52 -40.11 95.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.937 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.176 179.751 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.439 HG22 ' HA ' ' A' ' 50' ' ' LEU . 46.2 t -113.58 113.81 45.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.858 0.361 . . . . 0.0 111.151 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 27.6 ttm180 -78.84 113.21 16.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.408 ' O ' ' HA ' ' A' ' 63' ' ' SER . 30.2 t -74.6 122.6 87.87 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.643 0.735 . . . . 0.0 110.894 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 2.22 3.7 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.703 2.269 . . . . 0.0 112.365 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.501 ' CZ ' ' HB2' ' A' ' 19' ' ' PRO . 26.9 m-85 -104.37 -56.33 2.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.841 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 22.1 p -105.98 -26.62 11.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.886 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.408 ' HA ' ' O ' ' A' ' 59' ' ' CYS . 6.3 t 72.57 44.67 0.38 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.882 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 65' ' ' ILE . 50.3 mttt -106.83 90.87 3.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.868 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.417 ' C ' ' O ' ' A' ' 64' ' ' LYS . 44.5 mm -36.7 121.94 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.13 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.446 HG23 ' CG ' ' A' ' 36' ' ' HIS . 1.5 m -98.16 83.01 3.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.146 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -59.88 83.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.584 HD13 ' HB3' ' A' ' 74' ' ' LEU . 0.8 OUTLIER -130.51 -40.15 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.157 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 54.27 32.5 16.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.155 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.505 ' HB3' ' CG ' ' A' ' 73' ' ' GLN . 0.5 OUTLIER -172.84 125.74 0.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.84 -179.848 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.971 HD11 ' OE2' ' A' ' 47' ' ' GLU . 43.1 mt -52.23 -36.84 53.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.942 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 10.0 t -78.64 -39.01 38.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.136 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.505 ' CG ' ' HB3' ' A' ' 70' ' ' SER . 5.2 mm100 -42.61 -63.44 0.78 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.743 HD21 HD21 ' A' ' 46' ' ' LEU . 0.8 OUTLIER -50.99 179.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.953 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.446 ' O ' ' N ' ' A' ' 34' ' ' LEU . 23.1 m -83.84 133.93 34.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.164 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -81.93 151.04 27.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.906 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.515 ' OD1' HG13 ' A' ' 80' ' ' VAL . 24.9 t-20 -117.57 67.28 0.74 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.762 HD13 ' H ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -79.34 11.85 2.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.507 HG22 ' ND2' ' A' ' 77' ' ' ASN . 13.0 t -79.11 -29.75 43.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.174 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.559 HG21 ' CD2' ' A' ' 25' ' ' PHE . 17.3 m -73.33 -25.55 21.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.126 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 20.2 mt . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.906 179.972 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 31.6 m . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.803 0.335 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 24.1 mt -43.87 -23.75 0.1 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -108.81 159.44 16.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.479 ' O ' ' HA ' ' A' ' 22' ' ' MET . 54.0 t -72.71 135.03 81.21 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.606 0.717 . . . . 0.0 110.875 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.433 ' C ' ' HE2' ' A' ' 22' ' ' MET . 54.0 Cg_endo -69.7 1.06 4.73 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.712 2.274 . . . . 0.0 112.357 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.409 HD12 ' HB3' ' A' ' 45' ' ' CYS . 36.7 mt -112.48 -74.75 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.157 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 7.0 p -74.32 -23.84 59.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.479 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 6.0 mmt 67.81 49.28 0.95 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.453 ' HB3' HD13 ' A' ' 30' ' ' LEU . 9.7 mm-40 -123.07 140.88 52.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.894 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -51.9 137.06 27.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.6 ' CD2' HG11 ' A' ' 80' ' ' VAL . 22.4 m-85 -76.55 102.46 6.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -117.67 142.6 47.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.114 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.412 ' CD ' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -83.62 34.73 0.49 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -122.77 -45.38 2.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.882 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -128.09 -46.91 1.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.453 HD13 ' HB3' ' A' ' 23' ' ' GLU . 5.4 mt -113.65 89.76 3.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.885 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 23.5 mtp85 -82.21 130.02 61.45 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.575 0.702 . . . . 0.0 110.895 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.614 ' HB3' HG21 ' A' ' 80' ' ' VAL . 53.7 Cg_endo -69.72 129.36 17.5 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.679 2.253 . . . . 0.0 112.341 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.502 ' HE3' HD11 ' A' ' 74' ' ' LEU . 17.6 mmmt -130.93 133.32 45.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.847 HD11 ' O ' ' A' ' 38' ' ' GLY . 6.8 tp -100.72 129.89 46.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.865 HD21 HD11 ' A' ' 46' ' ' LEU . 91.1 mt -85.3 162.48 19.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.431 ' ND1' HG23 ' A' ' 66' ' ' THR . 0.3 OUTLIER -58.62 -10.26 2.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.848 179.881 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.445 ' CB ' ' SG ' ' A' ' 62' ' ' CYS . 27.6 p -88.62 -47.1 8.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.902 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.847 ' O ' HD11 ' A' ' 34' ' ' LEU . . . 140.88 -28.11 2.41 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.526 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.458 ' CE1' ' HB3' ' A' ' 61' ' ' PHE . 28.6 m170 -63.02 143.08 58.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.92 0.39 . . . . 0.0 110.829 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.507 ' OG1' HD13 ' A' ' 34' ' ' LEU . 89.3 m -106.28 123.4 47.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.151 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.583 HG22 ' HB2' ' A' ' 45' ' ' CYS . 8.1 mt -131.82 146.82 32.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.127 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.443 ' SG ' ' HB3' ' A' ' 44' ' ' GLN . 17.0 p -71.07 137.4 48.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.891 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.405 ' HD2' ' C ' ' A' ' 43' ' ' ARG . 0.7 OUTLIER -42.75 -32.99 0.66 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.93 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.443 ' HB3' ' SG ' ' A' ' 42' ' ' CYS . 5.5 tt0 -58.43 -47.22 84.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.583 ' HB2' HG22 ' A' ' 41' ' ' ILE . 55.4 m -75.9 -38.4 57.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.842 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.865 HD11 HD21 ' A' ' 35' ' ' LEU . 5.5 tp -63.86 -40.64 97.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.423 ' CD ' HD11 ' A' ' 71' ' ' LEU . 4.3 mm-40 -56.79 -49.7 74.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.404 ' HD3' ' O ' ' A' ' 44' ' ' GLN . 1.1 mptm? -52.33 -36.82 54.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.401 ' CB ' HG13 ' A' ' 57' ' ' VAL . 80.2 mt -76.87 -51.91 10.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.457 ' HA ' HG22 ' A' ' 57' ' ' VAL . 4.0 tt -52.68 -40.36 62.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.087 179.78 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.457 HG22 ' HA ' ' A' ' 50' ' ' LEU . 60.0 t -120.44 112.84 38.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.836 0.351 . . . . 0.0 111.143 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -72.72 119.86 17.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.412 ' O ' ' HA ' ' A' ' 63' ' ' SER . 49.5 t -79.54 125.94 81.76 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.627 0.727 . . . . 0.0 110.906 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 2.76 3.25 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.664 2.243 . . . . 0.0 112.376 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.458 ' HB3' ' CE1' ' A' ' 39' ' ' HIS . 27.9 m-85 -106.45 -62.52 1.38 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.445 ' SG ' ' CB ' ' A' ' 37' ' ' CYS . 25.5 p -104.24 -21.44 13.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.412 ' HA ' ' O ' ' A' ' 59' ' ' CYS . 19.4 m 67.49 49.53 1.0 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.477 ' O ' ' C ' ' A' ' 65' ' ' ILE . 61.1 mttt -105.37 87.54 2.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.852 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.477 ' C ' ' O ' ' A' ' 64' ' ' LYS . 48.7 mm -31.81 120.15 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.125 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.503 ' OG1' HD22 ' A' ' 35' ' ' LEU . 4.3 m -98.77 88.42 4.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.447 ' O ' HG23 ' A' ' 68' ' ' ILE . 2.7 mpt_? -57.32 92.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.865 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.983 HD13 ' HB3' ' A' ' 74' ' ' LEU . 3.0 pt -156.07 108.49 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.152 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.607 HG22 ' OE1' ' A' ' 73' ' ' GLN . 9.4 t -67.54 -25.92 66.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.104 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.2 t -113.83 163.08 15.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.482 ' CD2' HD23 ' A' ' 46' ' ' LEU . 47.1 mt -76.74 -26.87 55.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.952 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 8.8 t -84.58 -21.56 30.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.127 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.607 ' OE1' HG22 ' A' ' 69' ' ' THR . 7.3 mt-30 -53.77 -50.49 65.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.983 ' HB3' HD13 ' A' ' 68' ' ' ILE . 0.6 OUTLIER -56.76 -174.86 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.408 ' O ' ' N ' ' A' ' 34' ' ' LEU . 91.1 m -83.72 124.81 31.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.157 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -72.87 152.91 41.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.877 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.75 ' OD1' HD22 ' A' ' 34' ' ' LEU . 6.3 t30 -130.47 64.47 1.55 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.758 HD13 ' H ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -75.04 -9.95 59.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.93 179.923 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.544 ' N ' HD22 ' A' ' 78' ' ' LEU . 10.0 t -51.09 -45.78 61.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.183 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.614 HG21 ' HB3' ' A' ' 32' ' ' PRO . 19.0 m -61.19 -33.32 55.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.661 HD12 ' HA ' ' A' ' 78' ' ' LEU . 7.6 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' A' ' 17' ' ' GLU . 34.6 m . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.863 0.363 . . . . 0.0 111.163 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.6 mt -40.32 -26.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.919 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 15' ' ' VAL . 10.8 mt-10 -105.77 147.28 28.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.444 ' O ' ' HA ' ' A' ' 22' ' ' MET . 51.7 t -67.82 135.82 92.29 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.621 0.724 . . . . 0.0 110.867 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.542 ' HA ' ' HE1' ' A' ' 22' ' ' MET . 53.9 Cg_endo -69.77 1.3 4.56 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.672 2.248 . . . . 0.0 112.321 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 37.4 mt -114.94 -74.81 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.171 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.413 ' SG ' ' HB3' ' A' ' 18' ' ' CYS . 14.6 p -73.97 -25.32 59.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.902 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.542 ' HE1' ' HA ' ' A' ' 19' ' ' PRO . 12.6 mmt 64.17 46.73 3.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.402 ' CB ' HD13 ' A' ' 30' ' ' LEU . 24.6 mt-10 -119.21 123.08 43.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.904 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 19.8 m -43.35 109.58 0.15 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.5 ' CD2' HG21 ' A' ' 80' ' ' VAL . 35.1 m-85 -44.77 118.77 1.71 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.879 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.428 ' O ' HD21 ' A' ' 81' ' ' LEU . 1.3 p -94.33 -174.63 3.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.118 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -78.65 -36.8 43.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.463 ' O ' ' C ' ' A' ' 29' ' ' GLN . 6.3 mp0 -130.94 -61.13 0.95 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.463 ' C ' ' O ' ' A' ' 28' ' ' GLU . 29.0 tp60 -32.01 -61.03 0.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.944 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.455 HD21 ' OE1' ' A' ' 44' ' ' GLN . 9.7 mt -129.65 80.62 1.97 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.8 mmt180 -72.63 131.62 84.24 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.629 0.728 . . . . 0.0 110.885 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.61 ' HB3' HG21 ' A' ' 80' ' ' VAL . 53.4 Cg_endo -69.74 138.46 37.93 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.756 2.304 . . . . 0.0 112.322 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.572 ' HE3' HD11 ' A' ' 74' ' ' LEU . 20.2 mmmt -134.52 134.88 41.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.884 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.725 HD11 ' O ' ' A' ' 38' ' ' GLY . 7.4 tp -105.1 126.18 51.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.936 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.683 HD21 ' CD1' ' A' ' 46' ' ' LEU . 93.5 mt -82.81 162.53 21.64 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.559 ' CD2' HG23 ' A' ' 66' ' ' THR . 14.9 m170 -61.25 -7.62 3.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.463 ' CB ' ' SG ' ' A' ' 62' ' ' CYS . 30.2 p -89.66 -46.63 8.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.725 ' O ' HD11 ' A' ' 34' ' ' LEU . . . 142.52 -30.98 2.06 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.491 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.482 ' O ' HD12 ' A' ' 34' ' ' LEU . 28.1 m170 -61.85 145.83 51.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.892 0.377 . . . . 0.0 110.882 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.536 ' OG1' HD13 ' A' ' 34' ' ' LEU . 86.1 m -109.61 122.71 48.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.136 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.532 HG22 ' HB2' ' A' ' 45' ' ' CYS . 13.8 mt -131.91 147.18 32.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.16 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.448 ' SG ' ' HB3' ' A' ' 44' ' ' GLN . 19.5 p -71.77 143.17 49.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.921 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 5.2 ppt_? -46.12 -35.62 5.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.455 ' OE1' HD21 ' A' ' 30' ' ' LEU . 16.1 tt0 -54.62 -52.92 60.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.912 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.532 ' HB2' HG22 ' A' ' 41' ' ' ILE . 68.8 m -70.4 -44.54 67.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.687 HD23 HD22 ' A' ' 71' ' ' LEU . 4.8 tp -58.3 -38.85 77.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.492 ' OE2' HD11 ' A' ' 71' ' ' LEU . 4.2 mm-40 -59.46 -54.14 50.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.16 -38.48 5.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.913 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.651 HD13 ' O ' ' A' ' 58' ' ' ARG . 71.0 mt -78.64 -56.9 4.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.64 ' HA ' HG22 ' A' ' 57' ' ' VAL . 2.6 tt -45.96 -30.34 1.75 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.945 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.124 179.828 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.64 HG22 ' HA ' ' A' ' 50' ' ' LEU . 83.4 t -123.82 103.71 13.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.887 0.375 . . . . 0.0 111.15 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.651 ' O ' HD13 ' A' ' 49' ' ' LEU . 23.2 ttt180 -61.75 135.55 57.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.865 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.453 ' O ' ' HA ' ' A' ' 63' ' ' SER . 49.7 t -89.25 130.91 42.33 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.689 0.756 . . . . 0.0 110.868 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 3.6 2.68 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.683 2.255 . . . . 0.0 112.338 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.447 ' CZ ' ' HB2' ' A' ' 19' ' ' PRO . 35.6 m-85 -115.23 -67.39 1.0 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.463 ' SG ' ' CB ' ' A' ' 37' ' ' CYS . 27.3 p -96.44 -15.38 21.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.453 ' HA ' ' O ' ' A' ' 59' ' ' CYS . 18.1 p 59.25 43.93 16.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.895 -179.789 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.5 ' O ' ' C ' ' A' ' 65' ' ' ILE . 8.1 mtpm? -97.49 86.77 3.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.5 ' C ' ' O ' ' A' ' 64' ' ' LYS . 42.8 mm -29.97 120.38 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.137 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.559 HG23 ' CD2' ' A' ' 36' ' ' HIS . 2.2 m -98.0 85.71 3.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.101 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.17 91.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.483 HD13 ' CG ' ' A' ' 74' ' ' LEU . 1.4 pt -154.65 111.83 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.116 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.6 t -68.04 -29.26 68.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.155 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -115.05 158.52 21.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.855 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.687 HD22 HD23 ' A' ' 46' ' ' LEU . 86.5 mt -68.33 -32.3 72.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.926 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 14.7 t -78.62 -28.23 45.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.188 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.418 ' HB3' HG22 ' A' ' 68' ' ' ILE . 6.9 mm100 -45.15 -56.06 5.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.941 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.572 HD11 ' HE3' ' A' ' 33' ' ' LYS . 1.0 OUTLIER -55.22 -174.25 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.43 ' O ' ' N ' ' A' ' 34' ' ' LEU . 94.5 m -82.84 125.3 31.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -76.88 152.09 35.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.408 ' OD1' HG22 ' A' ' 80' ' ' VAL . 25.3 t-20 -122.86 66.8 0.96 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.873 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.676 HD13 ' H ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -80.97 14.27 2.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.944 179.92 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.9 t -82.42 -27.94 31.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.61 HG21 ' HB3' ' A' ' 32' ' ' PRO . 16.0 m -76.77 -30.35 18.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.088 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.428 HD21 ' O ' ' A' ' 26' ' ' THR . 95.7 mt . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.933 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.2 m . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.861 0.362 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 14.5 mt -50.83 -26.85 6.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -109.05 149.14 29.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.461 ' SG ' HG23 ' A' ' 41' ' ' ILE . 52.9 t -62.35 135.22 95.14 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.599 0.714 . . . . 0.0 110.868 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.472 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 53.8 Cg_endo -69.77 -0.75 7.38 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.703 2.268 . . . . 0.0 112.366 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.477 HD11 HD13 ' A' ' 41' ' ' ILE . 54.4 mt -112.26 -74.51 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.403 ' SG ' ' HB3' ' A' ' 18' ' ' CYS . 13.0 p -74.59 -29.22 61.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.442 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 17.0 mmt 67.51 47.08 1.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 24' ' ' SER . 16.9 mt-10 -119.9 122.0 40.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.93 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 23' ' ' GLU . 6.2 m -34.67 133.3 0.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.786 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.508 ' CG ' ' HB3' ' A' ' 32' ' ' PRO . 35.5 m-85 -72.85 106.64 4.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.903 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.0 t -112.71 141.92 45.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.154 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.724 ' CD ' HD13 ' A' ' 81' ' ' LEU . 8.2 mt-10 -84.95 42.14 0.91 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -131.92 -43.26 0.99 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -130.83 -54.19 1.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.415 HD11 ' OE1' ' A' ' 23' ' ' GLU . 14.2 mt -99.66 97.3 8.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.1 mmm180 -92.31 130.39 37.8 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.596 0.713 . . . . 0.0 110.835 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.646 ' HB3' HG21 ' A' ' 80' ' ' VAL . 53.4 Cg_endo -69.79 125.36 12.05 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.723 2.282 . . . . 0.0 112.318 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.585 ' HE3' HD11 ' A' ' 74' ' ' LEU . 19.6 mmmt -124.8 135.84 53.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.923 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.739 HD11 ' O ' ' A' ' 38' ' ' GLY . 6.1 tp -101.23 135.6 42.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.603 HD21 ' CD1' ' A' ' 46' ' ' LEU . 71.5 mt -91.47 162.55 14.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.502 ' CE1' ' O ' ' A' ' 66' ' ' THR . 32.0 m170 -60.88 -9.49 4.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.829 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 28.1 p -89.86 -44.06 10.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.739 ' O ' HD11 ' A' ' 34' ' ' LEU . . . 139.2 -30.51 2.43 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.518 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.428 ' O ' HD12 ' A' ' 34' ' ' LEU . 26.5 m170 -61.15 142.85 56.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.852 0.358 . . . . 0.0 110.832 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.499 HG21 ' OD1' ' A' ' 77' ' ' ASN . 86.1 m -106.58 129.77 54.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.12 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.61 HD11 ' CE2' ' A' ' 61' ' ' PHE . 13.3 mt -139.1 150.15 23.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.158 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.427 ' SG ' ' HB3' ' A' ' 44' ' ' GLN . 17.0 p -73.49 144.05 46.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.403 ' HG3' ' N ' ' A' ' 44' ' ' GLN . 2.0 ppt_? -46.99 -37.84 9.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.841 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.427 ' HB3' ' SG ' ' A' ' 42' ' ' CYS . 9.3 tt0 -52.15 -53.75 39.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.468 ' HB2' ' CG2' ' A' ' 41' ' ' ILE . 74.0 m -70.55 -40.6 73.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.774 HD23 HD22 ' A' ' 71' ' ' LEU . 5.9 tp -62.78 -30.15 71.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.531 ' CD ' HD11 ' A' ' 71' ' ' LEU . 4.8 mm-40 -69.37 -50.57 44.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.16 -31.38 42.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 81.5 mt -80.04 -46.78 15.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.93 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.8 tt -60.82 -41.02 94.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.943 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.146 179.748 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.428 ' HA3' ' CG2' ' A' ' 65' ' ' ILE . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 54.2 t -96.71 120.61 46.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.821 0.344 . . . . 0.0 111.184 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 56.3 ttm-85 -83.27 115.14 21.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.48 ' SG ' HD12 ' A' ' 35' ' ' LEU . 14.3 t -74.77 119.41 76.62 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.627 0.727 . . . . 0.0 110.891 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 4.14 2.39 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.722 2.281 . . . . 0.0 112.309 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.61 ' CE2' HD11 ' A' ' 41' ' ' ILE . 25.4 m-85 -103.42 -53.56 2.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.848 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 20.5 p -108.55 -15.28 14.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 59' ' ' CYS . 4.5 p 67.4 35.84 4.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.824 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.3 mtpt -107.98 125.04 51.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.856 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.428 ' CG2' ' HA3' ' A' ' 56' ' ' GLY . 29.7 mm -69.47 125.73 28.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.129 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.502 ' O ' ' CE1' ' A' ' 36' ' ' HIS . 4.8 m -73.26 -32.87 64.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 8.2 mmm180 64.44 54.96 1.43 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.839 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.559 ' CD1' HD23 ' A' ' 74' ' ' LEU . 0.9 OUTLIER -127.53 134.16 66.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.158 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 8.8 t -98.88 26.54 5.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.161 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.558 ' OG ' HG22 ' A' ' 72' ' ' THR . 10.6 t -172.63 149.97 2.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.774 HD22 HD23 ' A' ' 46' ' ' LEU . 73.6 mt -64.12 -34.62 78.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.927 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.558 HG22 ' OG ' ' A' ' 70' ' ' SER . 10.0 t -80.78 -20.34 42.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.419 ' CD ' HG22 ' A' ' 68' ' ' ILE . 0.0 OUTLIER -55.91 -62.92 1.37 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.666 HD21 HD21 ' A' ' 46' ' ' LEU . 1.3 pp -50.24 -176.55 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 34.3 m -84.25 135.46 34.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.161 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -79.05 160.42 27.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.847 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.525 ' O ' HG22 ' A' ' 80' ' ' VAL . 28.8 t-20 -128.68 65.58 1.42 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.7 HD13 ' H ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -80.91 9.57 6.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.2 t -79.13 -18.99 52.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.646 HG21 ' HB3' ' A' ' 32' ' ' PRO . 11.7 m -82.27 -21.03 9.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.724 HD13 ' CD ' ' A' ' 27' ' ' GLU . 28.5 mt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.948 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.468 ' O ' ' N ' ' A' ' 17' ' ' GLU . 33.9 m . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.855 0.36 . . . . 0.0 111.135 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 39.2 mt -40.5 -24.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 15' ' ' VAL . 3.6 mt-10 -108.29 161.72 14.75 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.451 ' O ' ' HA ' ' A' ' 22' ' ' MET . 53.3 t -78.4 135.61 61.09 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.594 0.711 . . . . 0.0 110.908 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.575 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 53.9 Cg_endo -69.72 -0.71 7.27 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.73 2.287 . . . . 0.0 112.371 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.517 HD12 ' HB3' ' A' ' 45' ' ' CYS . 28.9 mt -110.73 -74.56 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.133 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.7 p -75.29 -31.06 60.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.451 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 33.8 mmm 74.94 46.16 0.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.477 ' HB3' HD13 ' A' ' 30' ' ' LEU . 25.0 mm-40 -118.89 131.95 56.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.928 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.2 t -50.2 129.52 21.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.845 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.526 ' CD2' HG11 ' A' ' 80' ' ' VAL . 26.4 m-85 -66.21 111.41 3.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.4 p -98.89 147.87 24.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -63.9 -29.62 70.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.859 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -81.43 -69.73 0.59 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.431 ' O ' ' C ' ' A' ' 30' ' ' LEU . 3.4 tt0 -105.23 -175.37 2.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.477 HD13 ' HB3' ' A' ' 23' ' ' GLU . 23.3 mt 35.02 39.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.959 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.72 134.54 27.16 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.594 0.712 . . . . 0.0 110.892 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.892 ' HB3' HG21 ' A' ' 80' ' ' VAL . 53.6 Cg_endo -69.77 133.16 24.89 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.694 2.263 . . . . 0.0 112.36 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.408 ' HE3' HD11 ' A' ' 74' ' ' LEU . 16.1 mmmt -135.2 135.69 41.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.861 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.615 HD11 ' O ' ' A' ' 38' ' ' GLY . 5.5 tp -105.42 135.46 46.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.941 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.616 HD21 ' CD1' ' A' ' 46' ' ' LEU . 71.7 mt -94.46 162.48 13.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.546 ' ND1' HG23 ' A' ' 66' ' ' THR . 0.8 OUTLIER -60.8 -8.42 3.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 179.863 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.504 ' CB ' ' SG ' ' A' ' 62' ' ' CYS . 29.8 p -89.61 -46.55 8.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.903 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.615 ' O ' HD11 ' A' ' 34' ' ' LEU . . . 141.17 -30.49 2.24 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.519 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.433 ' O ' HD12 ' A' ' 34' ' ' LEU . 29.3 m170 -62.92 147.02 51.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.869 0.366 . . . . 0.0 110.819 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.482 ' OG1' HD13 ' A' ' 34' ' ' LEU . 24.2 m -113.65 117.63 32.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.201 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.509 ' CG2' ' HB2' ' A' ' 45' ' ' CYS . 44.9 mt -121.44 151.05 24.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.153 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.452 ' SG ' ' HB3' ' A' ' 44' ' ' GLN . 19.3 p -72.6 138.93 47.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.542 ' HG3' ' N ' ' A' ' 44' ' ' GLN . 3.7 ptt180 -44.69 -31.68 1.26 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.542 ' N ' ' HG3' ' A' ' 43' ' ' ARG . 12.2 tt0 -59.06 -52.95 63.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.517 ' HB3' HD12 ' A' ' 20' ' ' ILE . 69.4 m -70.6 -37.87 73.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.633 HD23 HD22 ' A' ' 71' ' ' LEU . 5.6 tp -63.01 -43.27 99.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -56.36 -49.24 74.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.415 ' HD3' ' O ' ' A' ' 44' ' ' GLN . 2.5 mptp? -55.74 -29.59 59.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 77.6 mt -80.64 -51.18 9.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.7 tt -59.44 -40.16 85.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 179.772 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.466 ' HA3' ' CG2' ' A' ' 65' ' ' ILE . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 84.7 t -91.32 114.43 28.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.777 0.322 . . . . 0.0 111.113 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 35.9 ttt180 -78.68 113.54 16.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.459 ' O ' ' HA ' ' A' ' 63' ' ' SER . 43.7 t -66.07 126.26 91.58 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.636 0.731 . . . . 0.0 110.875 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 4.01 2.46 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.725 2.283 . . . . 0.0 112.354 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.575 ' CZ ' ' HB2' ' A' ' 19' ' ' PRO . 38.6 m-85 -107.93 -60.28 1.73 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.504 ' SG ' ' CB ' ' A' ' 37' ' ' CYS . 22.2 p -104.04 -16.35 15.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.459 ' HA ' ' O ' ' A' ' 59' ' ' CYS . 19.0 m 58.65 51.6 7.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.867 -179.799 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.453 ' O ' ' C ' ' A' ' 65' ' ' ILE . 91.7 mttt -113.55 90.1 3.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.466 ' CG2' ' HA3' ' A' ' 56' ' ' GLY . 45.3 mm -33.25 124.73 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.546 HG23 ' ND1' ' A' ' 36' ' ' HIS . 11.7 m -83.56 -29.12 28.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.128 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.5 mmt180 63.93 55.03 1.64 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.778 HD13 ' HB3' ' A' ' 74' ' ' LEU . 2.5 pt -129.57 113.21 26.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.155 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.444 HG23 ' H ' ' A' ' 69' ' ' THR . 1.2 p -61.25 -41.37 96.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.139 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.8 p -110.31 -179.56 3.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.839 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.633 HD22 HD23 ' A' ' 46' ' ' LEU . 27.4 mt -85.29 -45.94 11.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.913 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 10.6 t -62.09 -10.31 9.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.128 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.455 ' HB3' HG22 ' A' ' 68' ' ' ILE . 2.2 mt-30 -69.25 -65.42 0.71 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.778 ' HB3' HD13 ' A' ' 68' ' ' ILE . 0.6 OUTLIER -46.2 173.07 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.405 ' O ' ' O ' ' A' ' 34' ' ' LEU . 93.2 m -69.26 130.26 42.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.154 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -81.48 146.75 30.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.607 ' OD1' HG13 ' A' ' 80' ' ' VAL . 22.9 t-20 -115.37 68.47 0.71 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.941 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.694 HD13 ' H ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -81.28 14.44 2.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 14.2 t -88.19 -18.1 29.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.15 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.892 HG21 ' HB3' ' A' ' 32' ' ' PRO . 9.8 m -84.19 -19.19 9.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.17 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 92.8 mt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.942 179.945 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.629 ' O ' HG23 ' A' ' 15' ' ' VAL . 15.4 m . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.916 0.389 . . . . 0.0 111.133 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 62.9 mt -49.17 -20.67 0.63 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -118.56 138.33 52.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.443 ' O ' ' HA ' ' A' ' 22' ' ' MET . 53.6 t -51.46 134.25 33.81 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.639 0.733 . . . . 0.0 110.862 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.418 ' CD ' ' O ' ' A' ' 40' ' ' THR . 54.2 Cg_endo -69.77 0.08 6.16 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.706 2.271 . . . . 0.0 112.366 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.542 HD11 HD13 ' A' ' 41' ' ' ILE . 59.4 mt -111.67 -74.79 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.414 ' SG ' ' HB3' ' A' ' 18' ' ' CYS . 9.7 p -73.7 -29.32 62.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.443 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 47.9 mmm 71.71 47.18 0.35 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.414 ' HB3' ' CD1' ' A' ' 30' ' ' LEU . 4.9 mm-40 -119.02 138.74 52.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.899 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 28.6 p -50.0 133.28 22.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.839 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.51 ' CG ' ' HB3' ' A' ' 32' ' ' PRO . 36.9 m-85 -76.07 101.6 5.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.95 136.03 54.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.181 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.773 ' OE2' HD13 ' A' ' 81' ' ' LEU . 23.2 mp0 -76.34 47.15 0.45 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.896 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -133.56 -39.63 0.89 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.861 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -134.36 -41.55 0.8 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.924 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.414 ' CD1' ' HB3' ' A' ' 23' ' ' GLU . 2.5 mt -121.52 111.14 16.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.7 mmt85 -100.91 130.59 24.84 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.562 0.696 . . . . 0.0 110.933 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.559 ' HB3' HG21 ' A' ' 80' ' ' VAL . 53.6 Cg_endo -69.78 127.89 15.21 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.703 2.269 . . . . 0.0 112.302 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.455 ' HE3' HD11 ' A' ' 74' ' ' LEU . 17.8 mmmt -122.55 143.68 49.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.521 HD11 ' O ' ' A' ' 38' ' ' GLY . 4.8 tp -111.44 131.27 55.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.814 HD22 ' OG1' ' A' ' 66' ' ' THR . 88.7 mt -93.64 162.94 13.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -61.99 -7.95 4.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.41 ' SG ' ' HB2' ' A' ' 35' ' ' LEU . 29.4 p -87.7 -44.72 10.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.521 ' O ' HD11 ' A' ' 34' ' ' LEU . . . 137.35 -29.33 2.71 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.523 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 27.6 m170 -65.5 144.18 57.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.894 0.378 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.471 HG21 ' CG ' ' A' ' 77' ' ' ASN . 30.1 m -108.08 128.14 54.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.146 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.542 HD13 HD11 ' A' ' 20' ' ' ILE . 9.9 mt -135.64 149.73 28.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.169 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.444 ' SG ' ' HB3' ' A' ' 44' ' ' GLN . 17.5 p -72.0 148.12 46.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.918 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.524 ' HG3' ' N ' ' A' ' 44' ' ' GLN . 0.3 OUTLIER -52.33 -31.89 35.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 -179.942 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.524 ' N ' ' HG3' ' A' ' 43' ' ' ARG . 7.8 tt0 -58.77 -45.87 88.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.538 ' HB2' HG22 ' A' ' 41' ' ' ILE . 90.5 m -80.3 -34.01 37.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.712 HD21 HD21 ' A' ' 74' ' ' LEU . 6.5 tp -66.22 -36.4 82.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -62.62 -50.14 72.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.89 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -52.45 -38.05 58.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.869 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 36.9 mt -71.39 -54.64 10.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.6 tt -53.81 -43.38 69.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 179.779 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.465 ' HA3' ' CG2' ' A' ' 65' ' ' ILE . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 98.7 t -124.42 120.16 58.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.852 0.358 . . . . 0.0 111.097 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 39.9 ttp180 -81.43 119.12 23.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.418 ' O ' ' HA ' ' A' ' 63' ' ' SER . 41.2 t -77.21 122.67 86.57 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.611 0.719 . . . . 0.0 110.876 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 3.71 2.61 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.682 2.254 . . . . 0.0 112.341 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -106.62 -57.63 2.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.422 ' O ' ' HB3' ' A' ' 63' ' ' SER . 24.7 p -104.91 -24.74 12.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.422 ' HB3' ' O ' ' A' ' 62' ' ' CYS . 8.2 t 74.86 43.09 0.24 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 34.0 mtpt -111.9 108.72 18.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.898 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.465 ' CG2' ' HA3' ' A' ' 56' ' ' GLY . 35.6 mm -52.6 127.95 10.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.145 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.814 ' OG1' HD22 ' A' ' 35' ' ' LEU . 16.2 m -74.12 -28.22 61.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.179 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.448 ' H ' HG22 ' A' ' 65' ' ' ILE . 0.9 OUTLIER 62.52 54.6 2.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.794 HD13 ' HB3' ' A' ' 74' ' ' LEU . 1.6 pt -132.7 146.21 33.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.123 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.1 p -88.97 -38.92 14.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.101 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.3 t -117.67 168.3 10.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.801 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.688 HD22 HD23 ' A' ' 46' ' ' LEU . 10.3 mt -72.91 -29.77 63.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.906 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 8.1 t -76.47 -25.19 54.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.115 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 11.0 mm100 -57.98 -58.67 7.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.916 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.794 ' HB3' HD13 ' A' ' 68' ' ' ILE . 1.4 pp -52.42 173.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.408 ' O ' ' O ' ' A' ' 34' ' ' LEU . 96.9 m -70.53 131.78 44.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.156 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -84.18 148.06 26.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.471 ' CG ' HG21 ' A' ' 40' ' ' THR . 26.1 t-20 -117.26 70.34 0.78 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.708 HD13 ' H ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -86.18 16.04 4.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.953 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.443 HG22 ' ND2' ' A' ' 77' ' ' ASN . 14.9 t -81.05 -34.69 32.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.155 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.559 HG21 ' HB3' ' A' ' 32' ' ' PRO . 14.1 m -69.54 -27.62 34.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.124 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.773 HD13 ' OE2' ' A' ' 27' ' ' GLU . 13.3 mt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.41 ' O ' HG23 ' A' ' 15' ' ' VAL . 28.9 m . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.922 0.391 . . . . 0.0 111.114 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.7 mt -50.54 -21.88 1.72 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.968 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -111.14 145.5 38.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.906 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.45 ' O ' ' HA ' ' A' ' 22' ' ' MET . 53.5 t -56.86 135.88 79.24 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.652 0.739 . . . . 0.0 110.873 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.415 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 53.8 Cg_endo -69.73 -0.85 7.48 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.64 2.227 . . . . 0.0 112.34 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.534 HD11 HD13 ' A' ' 41' ' ' ILE . 60.0 mt -112.82 -73.89 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.151 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.3 p -75.92 -29.34 58.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.45 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 8.2 mtp 69.71 44.1 0.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.851 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 24' ' ' SER . 12.2 mt-10 -115.12 124.78 52.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.929 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.52 ' O ' HG23 ' A' ' 26' ' ' THR . 74.2 p -34.71 122.52 0.53 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.816 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.743 ' CD2' HG21 ' A' ' 80' ' ' VAL . 18.8 m-85 -59.87 106.13 0.46 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.892 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.52 HG23 ' O ' ' A' ' 24' ' ' SER . 26.4 p -102.59 132.76 48.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.112 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -69.39 -17.16 63.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -69.69 -55.46 9.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -125.74 -71.31 0.7 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.949 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 30.8 mt -65.35 80.97 0.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.917 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.5 mmm-85 -88.49 132.38 39.19 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.654 0.74 . . . . 0.0 110.826 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.626 ' HB3' HG21 ' A' ' 80' ' ' VAL . 53.6 Cg_endo -69.78 110.0 2.45 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.676 2.251 . . . . 0.0 112.372 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.7 mmmt -108.93 134.08 52.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.875 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.773 HD11 ' O ' ' A' ' 38' ' ' GLY . 6.6 tp -100.62 123.83 45.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.932 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.76 HD21 ' CD1' ' A' ' 46' ' ' LEU . 89.9 mt -79.13 162.82 25.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.497 ' CG ' HG23 ' A' ' 66' ' ' THR . 23.0 m170 -63.1 -6.4 4.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.811 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.456 ' CB ' ' SG ' ' A' ' 62' ' ' CYS . 30.0 p -89.65 -45.79 9.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.926 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.773 ' O ' HD11 ' A' ' 34' ' ' LEU . . . 141.18 -30.18 2.26 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.467 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.486 ' O ' HD12 ' A' ' 34' ' ' LEU . 30.1 m170 -66.27 148.99 51.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.867 0.365 . . . . 0.0 110.871 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.478 ' OG1' HD13 ' A' ' 34' ' ' LEU . 40.4 m -108.06 137.41 46.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.127 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.534 HD13 HD11 ' A' ' 20' ' ' ILE . 10.9 mt -145.26 147.13 19.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.088 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.469 ' SG ' ' HB3' ' A' ' 44' ' ' GLN . 17.2 p -70.75 133.97 47.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.423 ' HG3' ' N ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -39.72 -37.22 0.5 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.837 -179.893 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.469 ' HB3' ' SG ' ' A' ' 42' ' ' CYS . 22.4 tt0 -52.79 -54.98 26.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.463 ' HB2' HG22 ' A' ' 41' ' ' ILE . 87.5 m -69.39 -38.88 78.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.882 HD23 HD22 ' A' ' 71' ' ' LEU . 5.9 tp -63.69 -32.48 73.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.883 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.537 ' OE1' HD21 ' A' ' 71' ' ' LEU . 4.6 mm-40 -69.61 -46.44 66.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.87 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -54.44 -33.45 59.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.467 ' HB3' HG13 ' A' ' 57' ' ' VAL . 79.3 mt -80.93 -50.58 9.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.88 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.551 ' HA ' HG22 ' A' ' 57' ' ' VAL . 3.3 tt -55.25 -39.51 69.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.111 179.801 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.551 HG22 ' HA ' ' A' ' 50' ' ' LEU . 91.4 t -102.03 129.31 53.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.826 0.346 . . . . 0.0 111.163 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.416 ' O ' HD13 ' A' ' 49' ' ' LEU . 24.9 ttm180 -86.57 123.19 31.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.461 ' O ' ' HA ' ' A' ' 63' ' ' SER . 12.0 t -82.69 120.25 76.14 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.614 0.721 . . . . 0.0 110.881 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 5.25 1.75 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.659 2.239 . . . . 0.0 112.355 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.415 ' CZ ' ' HB2' ' A' ' 19' ' ' PRO . 23.2 m-85 -105.39 -59.09 1.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.93 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.456 ' SG ' ' CB ' ' A' ' 37' ' ' CYS . 24.1 p -103.74 -12.4 17.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.84 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.461 ' HA ' ' O ' ' A' ' 59' ' ' CYS . 5.0 p 65.88 34.77 7.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.454 ' HD3' ' CB ' ' A' ' 37' ' ' CYS . 31.1 mtpt -97.83 120.2 37.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.885 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 38.5 mm -69.25 113.61 5.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.122 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.497 HG23 ' CG ' ' A' ' 36' ' ' HIS . 5.4 m -95.18 98.13 10.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.43 ' O ' HG23 ' A' ' 68' ' ' ILE . 0.4 OUTLIER -66.62 91.94 0.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.765 ' O ' HD12 ' A' ' 68' ' ' ILE . 1.9 pp -155.95 105.61 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 4.6 t -68.65 -34.93 76.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.154 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.691 ' HB3' HG22 ' A' ' 72' ' ' THR . 4.3 m -106.32 137.63 43.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.833 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.882 HD22 HD23 ' A' ' 46' ' ' LEU . 22.1 mt -57.56 -19.56 26.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.912 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.691 HG22 ' HB3' ' A' ' 70' ' ' SER . 9.8 t -80.97 -31.43 34.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.152 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.553 ' HB3' HG22 ' A' ' 68' ' ' ILE . 13.9 mt-30 -50.21 -64.66 0.74 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.55 HD11 ' O ' ' A' ' 71' ' ' LEU . 0.5 OUTLIER -51.93 174.88 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.402 ' O ' ' O ' ' A' ' 34' ' ' LEU . 97.0 m -73.86 138.85 44.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.171 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.19 150.45 21.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -122.17 66.51 0.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.719 HD13 ' H ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -82.62 20.57 1.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.914 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 11.8 t -85.05 -30.52 24.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.154 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.743 HG21 ' CD2' ' A' ' 25' ' ' PHE . 11.4 m -75.59 -24.46 17.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.177 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 25.0 mt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.971 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.441 ' O ' HG23 ' A' ' 15' ' ' VAL . 23.8 m . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.885 0.374 . . . . 0.0 111.121 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 67.3 mt -48.46 -22.06 0.66 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.93 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -114.45 153.72 29.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.462 ' O ' ' HA ' ' A' ' 22' ' ' MET . 53.8 t -64.24 136.1 96.61 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.585 0.707 . . . . 0.0 110.919 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -0.33 6.79 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.719 2.279 . . . . 0.0 112.309 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.458 HD12 ' CG2' ' A' ' 41' ' ' ILE . 62.4 mt -111.98 -74.65 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.095 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.418 ' SG ' ' HB3' ' A' ' 18' ' ' CYS . 6.6 p -73.93 -27.77 61.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.462 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 79.8 mmm 68.23 45.54 1.23 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.458 ' HB3' ' CD1' ' A' ' 30' ' ' LEU . 6.5 mt-10 -116.27 136.04 53.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 27.8 m -49.39 130.11 19.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.877 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.652 ' CD2' HG21 ' A' ' 80' ' ' VAL . 31.0 m-85 -70.61 107.07 3.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.916 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.5 t -114.16 145.84 41.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.121 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.661 ' HG3' HD22 ' A' ' 81' ' ' LEU . 59.1 mt-10 -85.8 43.03 1.01 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -132.7 -47.75 0.88 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.886 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 44.8 tp60 -127.1 -59.77 1.23 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.458 ' CD1' ' HB3' ' A' ' 23' ' ' GLU . 13.5 mt -91.94 99.98 12.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 53.9 mtm180 -99.73 130.08 27.37 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.621 0.724 . . . . 0.0 110.861 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.529 ' HB3' HG21 ' A' ' 80' ' ' VAL . 53.7 Cg_endo -69.75 117.71 5.25 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.734 2.289 . . . . 0.0 112.36 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.6 mmmt -116.35 132.11 56.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.641 HD11 ' O ' ' A' ' 38' ' ' GLY . 4.2 tp -94.41 132.25 39.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.487 HD21 ' CD1' ' A' ' 46' ' ' LEU . 63.4 mt -87.74 162.42 17.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.582 ' CD2' HG23 ' A' ' 66' ' ' THR . 21.8 m170 -63.76 -6.63 5.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.452 ' CB ' ' HD2' ' A' ' 64' ' ' LYS . 30.0 p -91.56 -47.28 7.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.641 ' O ' HD11 ' A' ' 34' ' ' LEU . . . 144.73 -30.95 1.8 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.474 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.424 ' O ' HD12 ' A' ' 34' ' ' LEU . 31.8 m170 -66.04 150.34 48.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.878 0.371 . . . . 0.0 110.835 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.45 ' OG1' HD13 ' A' ' 34' ' ' LEU . 89.2 m -111.68 139.52 47.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.093 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.58 HG22 ' HB2' ' A' ' 45' ' ' CYS . 13.0 mt -145.71 148.72 17.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.091 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.481 ' SG ' ' HB3' ' A' ' 44' ' ' GLN . 20.8 p -72.35 139.12 47.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.5 ppt_? -40.99 -36.87 0.72 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.481 ' HB3' ' SG ' ' A' ' 42' ' ' CYS . 23.3 tt0 -53.71 -60.97 2.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.882 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.58 ' HB2' HG22 ' A' ' 41' ' ' ILE . 60.4 m -60.28 -48.31 82.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.8 HD23 HD22 ' A' ' 71' ' ' LEU . 5.4 tp -57.52 -37.31 72.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.652 ' OE1' HD21 ' A' ' 71' ' ' LEU . 4.0 mm-40 -65.01 -52.81 54.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.7 mptt -50.56 -29.23 10.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.92 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 82.4 mt -84.75 -57.22 3.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.405 HD23 ' O ' ' A' ' 50' ' ' LEU . 2.5 tt -48.84 -40.63 30.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.805 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.556 HG11 HD12 ' A' ' 46' ' ' LEU . 94.1 t -100.82 124.04 54.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.87 0.367 . . . . 0.0 111.095 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 43.6 ttp180 -81.72 115.22 20.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.435 ' O ' ' HA ' ' A' ' 63' ' ' SER . 18.1 t -71.64 120.98 83.11 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.64 0.733 . . . . 0.0 110.916 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 3.68 2.64 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.706 2.271 . . . . 0.0 112.311 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -106.66 -61.43 1.53 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 26.8 p -99.75 -24.64 14.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.435 ' HA ' ' O ' ' A' ' 59' ' ' CYS . 6.1 t 74.95 47.49 0.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.452 ' HD2' ' CB ' ' A' ' 37' ' ' CYS . 34.0 mttm -108.97 115.31 29.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 43.6 mm -62.9 118.98 5.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.125 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.582 HG23 ' CD2' ' A' ' 36' ' ' HIS . 3.4 m -94.5 85.7 4.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.125 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? -55.02 89.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.838 ' CD1' HD23 ' A' ' 74' ' ' LEU . 2.1 pt -151.63 107.72 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 8.9 t -59.35 -35.38 73.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.122 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 48.3 m -115.09 164.85 13.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.8 HD22 HD23 ' A' ' 46' ' ' LEU . 18.0 mt -75.41 -26.92 58.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.922 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 7.9 t -78.41 -22.25 48.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.17 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 19.0 mm100 -59.68 -54.55 45.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.838 HD23 ' CD1' ' A' ' 68' ' ' ILE . 1.7 pp -54.02 -175.03 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.489 HG22 ' HB3' ' A' ' 34' ' ' LEU . 82.0 m -81.29 133.12 35.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.143 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -79.98 154.44 28.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -128.43 67.78 1.37 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.636 HD13 ' H ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -84.8 21.07 1.64 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 179.928 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 12.4 t -83.37 -32.62 26.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.19 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.652 HG21 ' CD2' ' A' ' 25' ' ' PHE . 10.2 m -77.41 -29.69 16.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.07 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.661 HD22 ' HG3' ' A' ' 27' ' ' GLU . 19.7 mt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 17' ' ' GLU . 33.1 m . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.859 0.361 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.3 mt -41.31 -24.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 15' ' ' VAL . 3.6 mt-10 -109.26 132.96 53.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.461 ' O ' ' HA ' ' A' ' 22' ' ' MET . 52.6 t -49.18 136.2 15.42 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.653 0.74 . . . . 0.0 110.895 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.504 ' CD ' ' O ' ' A' ' 40' ' ' THR . 53.8 Cg_endo -69.79 1.2 4.67 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.722 2.281 . . . . 0.0 112.377 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.429 HD12 ' HB3' ' A' ' 45' ' ' CYS . 26.4 mt -115.12 -74.47 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.111 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 8.8 p -74.69 -23.86 58.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.461 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 6.7 mmt 62.76 45.45 5.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.833 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.486 ' HB3' HD13 ' A' ' 30' ' ' LEU . 8.3 mt-10 -115.34 124.93 52.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.921 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 23' ' ' GLU . 7.4 t -37.31 130.35 0.92 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.838 -179.775 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.607 ' CD2' HG21 ' A' ' 80' ' ' VAL . 18.0 m-85 -69.85 101.45 1.74 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.43 ' O ' HD21 ' A' ' 81' ' ' LEU . 32.1 p -84.12 -174.36 5.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.134 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.504 ' OE2' HD13 ' A' ' 81' ' ' LEU . 67.9 mm-40 -94.78 -64.5 1.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -84.89 32.75 0.53 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.466 ' O ' ' C ' ' A' ' 30' ' ' LEU . 2.6 tp60 -177.04 163.38 2.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.486 HD13 ' HB3' ' A' ' 23' ' ' GLU . 27.2 mt 32.84 42.33 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 48.0 mtm180 -54.11 128.17 56.56 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.569 0.7 . . . . 0.0 110.887 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.6 ' HB3' HG21 ' A' ' 80' ' ' VAL . 53.2 Cg_endo -69.78 117.74 5.26 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.672 2.248 . . . . 0.0 112.315 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.4 mmmt -117.25 137.28 52.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.887 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.94 HD22 ' ND2' ' A' ' 77' ' ' ASN . 5.4 tp -103.25 125.35 49.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.7 HD21 ' CD1' ' A' ' 46' ' ' LEU . 94.8 mt -82.8 162.58 21.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.953 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -60.34 -9.32 3.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.822 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 28.2 p -88.21 -46.6 9.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.721 ' O ' HD11 ' A' ' 34' ' ' LEU . . . 140.21 -28.66 2.46 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.504 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.471 ' O ' HD12 ' A' ' 34' ' ' LEU . 23.2 m170 -62.99 148.32 48.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.869 0.366 . . . . 0.0 110.896 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.504 ' O ' ' CD ' ' A' ' 19' ' ' PRO . 62.5 m -111.48 126.94 55.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.167 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.528 ' CG2' ' HB2' ' A' ' 45' ' ' CYS . 60.3 mt -135.45 150.03 28.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.117 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.446 ' SG ' ' HB3' ' A' ' 44' ' ' GLN . 19.5 p -73.88 135.56 43.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.406 ' HG3' ' N ' ' A' ' 44' ' ' GLN . 0.1 OUTLIER -38.24 -37.51 0.29 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.82 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.446 ' HB3' ' SG ' ' A' ' 42' ' ' CYS . 12.4 tt0 -53.87 -61.01 2.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.528 ' HB2' ' CG2' ' A' ' 41' ' ' ILE . 56.3 m -59.84 -44.98 93.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.7 ' CD1' HD21 ' A' ' 35' ' ' LEU . 5.7 tp -59.51 -35.84 74.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.635 ' OE1' HD21 ' A' ' 71' ' ' LEU . 4.6 mm-40 -63.35 -51.33 66.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.407 ' HD3' ' O ' ' A' ' 44' ' ' GLN . 6.8 mptt -49.75 -34.93 20.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.899 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 96.3 mt -80.81 -53.26 6.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 51' ' ' ALA . 1.4 tt -51.31 -46.95 62.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 50' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.079 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.465 ' HA3' ' CG2' ' A' ' 65' ' ' ILE . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 48.5 t -91.32 116.27 32.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.88 0.371 . . . . 0.0 111.124 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 68.9 ttt180 -77.34 113.77 15.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.444 ' O ' ' HA ' ' A' ' 63' ' ' SER . 42.4 t -67.24 123.53 86.68 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.702 0.763 . . . . 0.0 110.862 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 4.36 2.25 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.669 2.246 . . . . 0.0 112.356 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.488 ' CZ ' ' HB2' ' A' ' 19' ' ' PRO . 33.5 m-85 -107.17 -54.89 2.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.853 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 26.4 p -111.6 -16.33 13.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.88 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.444 ' HA ' ' O ' ' A' ' 59' ' ' CYS . 74.3 m 62.25 47.83 5.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 65' ' ' ILE . 89.5 mttt -109.42 91.16 3.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.465 ' CG2' ' HA3' ' A' ' 56' ' ' GLY . 46.0 mm -33.67 125.49 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.129 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.618 ' OG1' HD22 ' A' ' 35' ' ' LEU . 14.8 m -79.2 -29.53 42.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.143 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.428 ' HB3' ' NH1' ' A' ' 67' ' ' ARG . 3.5 mmm180 64.01 48.94 2.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.974 ' CD1' HD23 ' A' ' 74' ' ' LEU . 2.5 pt -128.39 132.36 68.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.122 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.7 t -85.35 -29.97 24.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.18 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 18.2 m -116.53 153.4 32.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.826 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.635 HD21 ' OE1' ' A' ' 47' ' ' GLU . 56.2 mt -63.56 -28.23 69.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.901 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 8.9 t -80.85 -30.77 35.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.155 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 -47.09 -56.25 6.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.974 HD23 ' CD1' ' A' ' 68' ' ' ILE . 2.8 pp -53.06 -174.26 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 90.8 m -84.22 137.02 33.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.16 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -84.71 152.42 23.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.94 ' ND2' HD22 ' A' ' 34' ' ' LEU . 2.3 t-20 -129.75 62.27 1.55 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.692 HD13 ' H ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -75.91 5.82 5.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.3 t -66.87 -40.49 87.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.153 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.607 HG21 ' CD2' ' A' ' 25' ' ' PHE . 19.8 m -67.13 -30.38 49.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.142 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.504 HD13 ' OE2' ' A' ' 27' ' ' GLU . 96.9 mt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.932 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 33.5 m . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.844 0.354 . . . . 0.0 111.084 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 18.8 mt -53.13 -16.61 1.22 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -115.02 159.45 20.77 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.587 ' SG ' HG23 ' A' ' 41' ' ' ILE . 51.0 t -70.41 135.94 86.41 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.591 0.71 . . . . 0.0 110.894 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.493 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 53.8 Cg_endo -69.7 -0.05 6.31 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.7 2.267 . . . . 0.0 112.345 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.437 HD12 ' HB3' ' A' ' 45' ' ' CYS . 27.3 mt -111.61 -72.55 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.133 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.8 p -77.87 -29.52 50.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.893 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.455 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 10.2 mtp 71.65 49.89 0.27 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.441 ' OE1' HD11 ' A' ' 30' ' ' LEU . 13.7 mt-10 -119.08 140.91 49.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.855 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.6 p -51.32 132.29 28.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.893 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.56 ' CD2' HG21 ' A' ' 80' ' ' VAL . 21.6 m-85 -74.02 103.22 4.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.893 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.404 ' O ' ' O ' ' A' ' 30' ' ' LEU . 1.3 t -124.69 138.26 54.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.15 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 64.0 mt-10 -79.74 45.59 0.71 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -134.27 -38.48 0.85 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 -133.41 -37.95 0.94 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.917 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.441 HD11 ' OE1' ' A' ' 23' ' ' GLU . 1.8 mt -130.27 105.28 7.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 22.6 mtm180 -95.8 131.34 29.42 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.608 0.718 . . . . 0.0 110.875 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.516 ' HB3' HG21 ' A' ' 80' ' ' VAL . 53.6 Cg_endo -69.76 122.57 9.25 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.713 2.275 . . . . 0.0 112.336 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.483 ' HB3' HD11 ' A' ' 74' ' ' LEU . 3.5 mmmm -122.31 135.26 54.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.894 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.647 HD11 ' O ' ' A' ' 38' ' ' GLY . 6.3 tp -99.74 130.54 45.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.68 HD21 ' CD1' ' A' ' 46' ' ' LEU . 77.1 mt -87.63 162.25 17.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.539 ' CD2' ' O ' ' A' ' 66' ' ' THR . 0.4 OUTLIER -60.37 -9.67 3.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.888 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.412 ' SG ' ' HB2' ' A' ' 35' ' ' LEU . 28.5 p -88.81 -46.92 8.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.647 ' O ' HD11 ' A' ' 34' ' ' LEU . . . 141.46 -29.55 2.26 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.437 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 25.4 m170 -63.28 139.71 58.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.929 0.395 . . . . 0.0 110.841 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.534 HG21 ' CG ' ' A' ' 77' ' ' ASN . 15.6 m -106.09 118.17 35.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.154 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.587 HG23 ' SG ' ' A' ' 18' ' ' CYS . 18.9 mt -127.41 152.21 35.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.097 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.459 ' SG ' ' HB3' ' A' ' 44' ' ' GLN . 17.5 p -71.87 140.22 49.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.858 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.563 ' HG3' ' N ' ' A' ' 44' ' ' GLN . 4.8 ptt180 -44.3 -37.53 3.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.563 ' N ' ' HG3' ' A' ' 43' ' ' ARG . 18.2 tt0 -52.08 -55.25 21.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.494 ' HB2' HG22 ' A' ' 41' ' ' ILE . 54.4 m -65.75 -38.03 87.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.68 ' CD1' HD21 ' A' ' 35' ' ' LEU . 5.3 tp -62.22 -40.85 97.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -62.01 -50.99 69.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -48.0 -34.9 10.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 56.8 mt -82.0 -57.56 3.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.46 ' O ' HD23 ' A' ' 50' ' ' LEU . 2.0 tt -47.93 -27.9 2.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 179.767 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.464 -0.255 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 59.4 t -143.49 108.6 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.831 0.348 . . . . 0.0 111.177 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 59.1 ttp85 -70.85 110.41 5.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.928 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.459 ' O ' ' HA ' ' A' ' 63' ' ' SER . 47.0 t -64.85 125.34 88.78 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.657 0.741 . . . . 0.0 110.849 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 3.99 2.44 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.672 2.248 . . . . 0.0 112.367 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.493 ' CZ ' ' HB2' ' A' ' 19' ' ' PRO . 36.3 m-85 -109.35 -57.64 2.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 26.5 p -107.57 -15.63 14.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.459 ' HA ' ' O ' ' A' ' 59' ' ' CYS . 16.8 m 59.41 51.27 6.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.826 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.456 ' O ' ' C ' ' A' ' 65' ' ' ILE . 88.3 mttt -114.48 93.03 4.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.456 ' C ' ' O ' ' A' ' 64' ' ' LYS . 46.5 mm -31.73 123.66 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.111 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.539 ' O ' ' CD2' ' A' ' 36' ' ' HIS . 3.0 m -72.27 -29.86 64.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.135 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 6.8 mmm180 63.81 55.01 1.7 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.839 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 1.037 ' CD1' HD23 ' A' ' 74' ' ' LEU . 1.6 pt -137.25 121.63 23.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.142 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.1 p -67.45 -36.79 81.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.137 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.545 ' O ' HD12 ' A' ' 68' ' ' ILE . 1.2 t -111.25 167.34 10.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.429 HD22 HD23 ' A' ' 46' ' ' LEU . 13.5 mt -75.33 -25.17 57.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.929 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 8.8 t -85.18 -30.76 23.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.065 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -43.81 -52.54 6.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.933 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 1.037 HD23 ' CD1' ' A' ' 68' ' ' ILE . 3.3 pp -53.56 -174.86 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.984 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 93.0 m -83.35 136.48 34.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.153 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -80.44 145.94 31.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.887 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.534 ' CG ' HG21 ' A' ' 40' ' ' THR . 25.0 t-20 -117.14 67.73 0.74 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.704 HD13 ' H ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -81.35 12.76 3.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.937 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.8 t -75.85 -33.59 60.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.122 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.56 HG21 ' CD2' ' A' ' 25' ' ' PHE . 16.8 m -76.22 -29.74 19.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.121 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 22.6 mt . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 179.945 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 33.8 m . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.87 0.367 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 26.5 mt -52.71 -26.06 12.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.908 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.422 ' HG3' ' N ' ' A' ' 24' ' ' SER . 1.9 mp0 -105.21 175.27 5.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.922 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.462 ' O ' ' HA ' ' A' ' 22' ' ' MET . 45.5 t -75.77 136.86 70.24 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.684 0.754 . . . . 0.0 110.852 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.405 ' CD ' ' O ' ' A' ' 40' ' ' THR . 53.8 Cg_endo -69.76 1.79 4.12 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.666 2.244 . . . . 0.0 112.312 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.579 HD11 HD13 ' A' ' 41' ' ' ILE . 52.8 mt -116.02 -67.51 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.157 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.406 ' O ' ' HB2' ' A' ' 22' ' ' MET . 11.3 p -85.32 -24.72 27.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.462 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 7.9 mmt 65.97 52.0 1.27 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.712 ' HB3' HD13 ' A' ' 30' ' ' LEU . 35.0 mm-40 -115.5 136.76 52.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.866 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.422 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 29.3 p -47.04 123.86 5.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.822 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.573 ' CD2' HG21 ' A' ' 80' ' ' VAL . 15.8 m-85 -68.69 103.09 1.64 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.904 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.5 t -124.28 139.3 54.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.147 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -80.27 43.92 0.66 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -131.13 -41.33 1.12 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -134.76 -34.0 0.92 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.712 HD13 ' HB3' ' A' ' 23' ' ' GLU . 1.4 mt -128.4 98.63 5.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.909 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 19.5 mtm180 -94.6 128.77 38.66 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.605 0.717 . . . . 0.0 110.833 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.501 ' HB3' ' CG ' ' A' ' 25' ' ' PHE . 53.9 Cg_endo -69.77 114.68 3.78 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.643 2.228 . . . . 0.0 112.362 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.55 ' HB3' HD11 ' A' ' 74' ' ' LEU . 2.5 mmmm -114.53 132.31 56.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.679 HD11 ' O ' ' A' ' 38' ' ' GLY . 6.3 tp -94.87 133.94 38.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.721 HD21 ' CD1' ' A' ' 46' ' ' LEU . 84.3 mt -90.49 162.29 15.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.883 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.469 ' ND1' HG23 ' A' ' 66' ' ' THR . 0.3 OUTLIER -62.11 -7.63 4.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 179.854 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 28.8 p -89.48 -46.92 8.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.863 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.679 ' O ' HD11 ' A' ' 34' ' ' LEU . . . 141.93 -28.95 2.24 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.533 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.447 ' O ' HD12 ' A' ' 34' ' ' LEU . 29.6 m170 -65.94 146.41 54.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.896 0.379 . . . . 0.0 110.817 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.569 HG21 ' CG ' ' A' ' 77' ' ' ASN . 23.2 m -112.29 118.07 34.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.163 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.579 HD13 HD11 ' A' ' 20' ' ' ILE . 55.8 mt -125.57 151.24 31.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.167 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.503 ' SG ' ' HB3' ' A' ' 44' ' ' GLN . 17.8 p -71.86 143.66 49.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.91 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.439 ' C ' ' HD2' ' A' ' 43' ' ' ARG . 0.4 OUTLIER -45.03 -39.18 5.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.503 ' HB3' ' SG ' ' A' ' 42' ' ' CYS . 7.9 tt0 -51.47 -62.17 1.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.497 ' HB2' ' CG2' ' A' ' 41' ' ' ILE . 56.9 m -59.13 -44.17 92.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.721 ' CD1' HD21 ' A' ' 35' ' ' LEU . 4.6 tp -59.71 -35.33 74.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.684 ' OE1' HD21 ' A' ' 71' ' ' LEU . 4.1 mm-40 -63.55 -52.05 62.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.4 mptt -50.27 -33.97 21.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 96.1 mt -81.4 -54.77 5.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.896 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.534 HD13 HD23 ' A' ' 71' ' ' LEU . 1.3 tt -50.71 -47.4 59.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.922 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.114 179.81 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.443 HG22 ' HA ' ' A' ' 50' ' ' LEU . 84.8 t -123.65 104.08 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.844 0.354 . . . . 0.0 111.153 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 21.0 ttp-105 -71.08 113.58 8.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.852 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.473 ' O ' ' HA ' ' A' ' 63' ' ' SER . 21.8 t -68.32 124.93 90.97 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.676 0.751 . . . . 0.0 110.893 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 5.19 1.8 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.648 2.232 . . . . 0.0 112.358 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -109.69 -58.29 2.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.849 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 19.5 p -103.61 -12.96 16.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.473 ' HA ' ' O ' ' A' ' 59' ' ' CYS . 3.6 m 58.74 44.38 17.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.795 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 51.0 mttp -114.14 107.86 16.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.881 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.403 HG22 ' H ' ' A' ' 67' ' ' ARG . 31.6 mm -49.83 133.66 8.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.153 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.479 ' CG2' HG12 ' A' ' 68' ' ' ILE . 10.4 m -83.28 -28.03 29.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.122 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.403 ' H ' HG22 ' A' ' 65' ' ' ILE . 0.5 OUTLIER 63.17 53.71 2.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.861 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 1.011 ' CD1' HD23 ' A' ' 74' ' ' LEU . 1.0 OUTLIER -130.94 128.94 63.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.155 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 8.9 t -79.54 -29.87 41.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.111 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.9 t -114.24 155.34 26.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.863 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.684 HD21 ' OE1' ' A' ' 47' ' ' GLU . 45.8 mt -68.4 -31.39 70.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.9 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 8.6 t -81.24 -24.77 37.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.152 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.421 ' HB3' HG22 ' A' ' 68' ' ' ILE . 6.3 mm100 -49.42 -55.09 14.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.937 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 1.011 HD23 ' CD1' ' A' ' 68' ' ' ILE . 2.5 pp -52.58 -174.85 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.419 ' O ' ' N ' ' A' ' 34' ' ' LEU . 89.1 m -80.76 142.37 33.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.17 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -89.46 149.86 22.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.569 ' CG ' HG21 ' A' ' 40' ' ' THR . 27.1 t-20 -121.81 66.37 0.91 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.885 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.634 HD13 ' H ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -80.41 14.23 2.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.953 179.936 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 13.9 t -76.46 -34.89 58.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.148 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.573 HG21 ' CD2' ' A' ' 25' ' ' PHE . 12.1 m -72.68 -36.31 52.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.149 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 14.3 mt . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 179.983 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.445 ' O ' ' N ' ' A' ' 17' ' ' GLU . 35.0 m . . . . . 0 C--O 1.233 0.19 0 CA-C-O 120.81 0.338 . . . . 0.0 111.124 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.468 ' O ' ' CD2' ' A' ' 25' ' ' PHE . 24.3 mt -41.06 -24.86 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 15' ' ' VAL . 3.3 mt-10 -103.01 166.6 10.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.498 ' SG ' HG23 ' A' ' 41' ' ' ILE . 52.3 t -80.4 136.19 52.97 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.619 0.723 . . . . 0.0 110.891 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.527 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 53.9 Cg_endo -69.76 0.66 5.32 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.683 2.256 . . . . 0.0 112.361 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.463 HD11 HD13 ' A' ' 41' ' ' ILE . 49.0 mt -114.44 -73.33 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.172 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 18.4 p -77.72 -25.61 49.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.874 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.46 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 20.3 mmt 64.66 45.05 3.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.499 ' HB3' ' CD1' ' A' ' 30' ' ' LEU . 27.8 mt-10 -117.32 122.5 44.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.839 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 23' ' ' GLU . 8.3 t -33.44 129.45 0.28 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 -179.803 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.586 ' CD2' HG21 ' A' ' 80' ' ' VAL . 23.8 m-85 -68.14 100.25 0.99 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.869 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 43.1 p -97.73 138.57 34.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.112 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -82.95 38.51 0.59 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -134.47 -48.51 0.77 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.868 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 62.1 tp60 -126.05 -48.84 1.6 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.499 ' CD1' ' HB3' ' A' ' 23' ' ' GLU . 27.7 mt -96.73 73.41 2.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.911 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 84.6 mtm-85 -76.34 127.2 85.27 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.599 0.714 . . . . 0.0 110.877 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.651 ' HB3' HG21 ' A' ' 80' ' ' VAL . 53.5 Cg_endo -69.78 119.99 6.85 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.714 2.276 . . . . 0.0 112.301 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.514 ' HE3' HD11 ' A' ' 74' ' ' LEU . 15.3 mmmt -117.82 143.64 46.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.889 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.725 HD13 ' OD1' ' A' ' 77' ' ' ASN . 8.4 tp -111.2 122.45 47.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.437 HD21 ' CD1' ' A' ' 46' ' ' LEU . 95.4 mt -77.02 162.31 27.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.549 ' CD2' HG23 ' A' ' 66' ' ' THR . 21.3 m170 -62.38 -6.66 3.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.837 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.474 ' CB ' ' HD3' ' A' ' 64' ' ' LYS . 28.8 p -89.41 -47.71 7.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.697 ' O ' HD11 ' A' ' 34' ' ' LEU . . . 143.28 -29.26 2.05 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.514 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.487 ' O ' HD12 ' A' ' 34' ' ' LEU . 27.9 m170 -64.66 146.75 54.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.838 0.351 . . . . 0.0 110.843 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.547 ' OG1' HD13 ' A' ' 34' ' ' LEU . 99.1 m -108.98 131.72 54.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.142 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.498 HG23 ' SG ' ' A' ' 18' ' ' CYS . 52.2 mt -140.57 150.11 21.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.16 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.485 ' SG ' ' HB3' ' A' ' 44' ' ' GLN . 20.4 p -72.19 142.2 49.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.935 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.7 -33.0 3.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.485 ' HB3' ' SG ' ' A' ' 42' ' ' CYS . 4.9 tt0 -56.42 -56.99 14.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.486 ' HB2' ' CG2' ' A' ' 41' ' ' ILE . 56.4 m -63.5 -43.55 96.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.565 HD23 HD22 ' A' ' 71' ' ' LEU . 5.8 tp -59.34 -45.07 92.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.949 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.506 ' OE2' HD11 ' A' ' 71' ' ' LEU . 4.0 mm-40 -54.52 -46.33 73.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -55.1 -34.03 63.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.878 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.598 ' HB3' HG13 ' A' ' 57' ' ' VAL . 94.3 mt -81.27 -53.37 6.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.916 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.464 ' O ' ' C ' ' A' ' 51' ' ' ALA . 1.8 tt -53.7 -45.41 70.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.464 ' C ' ' O ' ' A' ' 50' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.095 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.598 HG13 ' HB3' ' A' ' 49' ' ' LEU . 57.5 t -92.63 135.15 28.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.819 0.343 . . . . 0.0 111.161 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 27.3 ttp180 -91.99 114.56 27.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.458 ' O ' ' HA ' ' A' ' 63' ' ' SER . 35.7 t -64.97 126.18 90.65 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.615 0.721 . . . . 0.0 110.859 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 3.24 2.91 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.689 2.26 . . . . 0.0 112.316 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.527 ' CZ ' ' HB2' ' A' ' 19' ' ' PRO . 30.2 m-85 -110.83 -64.36 1.28 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 27.3 p -97.57 -22.39 16.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.458 ' HA ' ' O ' ' A' ' 59' ' ' CYS . 16.4 m 68.26 46.2 1.14 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.474 ' HD3' ' CB ' ' A' ' 37' ' ' CYS . 25.0 mtpp -103.59 91.31 3.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.87 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.429 ' C ' ' O ' ' A' ' 64' ' ' LYS . 44.8 mm -35.68 125.9 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.136 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.549 HG23 ' CD2' ' A' ' 36' ' ' HIS . 4.7 m -103.73 84.31 2.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.155 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 3.5 mpp_? -51.64 86.34 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.774 HD13 HD23 ' A' ' 74' ' ' LEU . 1.6 pt -145.31 108.36 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.134 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 6.7 t -64.37 -35.18 80.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.17 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 25.4 m -111.96 161.23 16.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.857 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.565 HD22 HD23 ' A' ' 46' ' ' LEU . 65.9 mt -70.25 -26.05 63.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.95 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 8.9 t -84.24 -24.96 29.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.191 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -49.71 -51.84 35.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.774 HD23 HD13 ' A' ' 68' ' ' ILE . 2.3 pp -52.65 -173.41 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 93.3 m -86.24 121.43 28.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.193 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -64.34 142.76 58.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.871 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.725 ' OD1' HD13 ' A' ' 34' ' ' LEU . 3.4 t30 -121.6 68.75 0.91 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.753 HD13 ' H ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -82.58 -8.99 59.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.925 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.563 ' N ' HD22 ' A' ' 78' ' ' LEU . 8.7 t -49.9 -42.93 49.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.123 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.651 HG21 ' HB3' ' A' ' 32' ' ' PRO . 31.5 m -67.34 -33.12 60.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.117 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 89.1 mt . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 179.999 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.381 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.7 t -153.67 112.75 3.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.874 0.369 . . . . 0.0 110.891 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.8 p -171.65 164.53 6.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.886 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.45 89.5 0.38 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.502 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.4 m -158.06 169.05 25.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.891 0.377 . . . . 0.0 110.874 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.2 p -92.04 141.21 28.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.814 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.34 -152.93 18.45 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.473 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 38.13 41.61 0.41 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.824 0.345 . . . . 0.0 110.857 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.2 tp -125.72 107.13 10.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.929 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -141.68 107.55 5.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -124.35 -42.84 2.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.107 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.0 mp -55.39 130.89 44.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 19.5 ptt180 -103.95 -44.41 5.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.833 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 16.0 mp0 -47.7 164.8 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.471 ' O ' ' N ' ' A' ' 17' ' ' GLU . 34.4 m -107.33 34.73 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.064 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.473 ' O ' ' CD2' ' A' ' 25' ' ' PHE . 21.3 mt -38.31 -28.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 15' ' ' VAL . 3.2 mt-10 -104.37 161.72 13.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.454 ' O ' ' HA ' ' A' ' 22' ' ' MET . 52.4 t -72.89 135.1 80.75 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.652 0.739 . . . . 0.0 110.881 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -0.99 7.73 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.671 2.248 . . . . 0.0 112.328 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.471 HD11 HD13 ' A' ' 41' ' ' ILE . 62.5 mt -109.6 -74.48 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.136 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.418 ' SG ' ' HB3' ' A' ' 18' ' ' CYS . 5.2 p -73.83 -28.8 61.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.838 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.454 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 10.1 mtp 69.2 44.92 0.92 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -119.19 132.15 55.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.863 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.754 ' O ' HG23 ' A' ' 26' ' ' THR . 1.5 t -44.01 122.47 2.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.823 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.521 ' CG ' ' HB3' ' A' ' 32' ' ' PRO . 14.4 m-85 -56.82 101.26 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.918 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.754 HG23 ' O ' ' A' ' 24' ' ' SER . 1.6 p -109.99 112.4 24.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.168 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 28' ' ' GLU . 17.4 mt-10 -47.9 -49.3 30.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 27' ' ' GLU . 7.6 pt-20 -35.57 -48.42 0.51 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.893 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -130.2 -72.04 0.58 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.924 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 15.3 mt -74.12 93.83 2.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 25.0 mtp180 -92.56 128.47 44.22 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.633 0.73 . . . . 0.0 110.857 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.585 ' HB3' HG21 ' A' ' 80' ' ' VAL . 53.7 Cg_endo -69.81 119.49 6.42 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.697 2.265 . . . . 0.0 112.297 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.8 mmmt -119.34 141.17 49.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.804 HD11 ' O ' ' A' ' 38' ' ' GLY . 6.7 tp -108.05 126.19 52.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.966 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.644 HD21 ' CD1' ' A' ' 46' ' ' LEU . 96.0 mt -81.55 162.58 23.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -60.25 -8.78 2.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 29.0 p -88.57 -46.48 9.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.804 ' O ' HD11 ' A' ' 34' ' ' LEU . . . 140.89 -29.8 2.31 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.474 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.472 ' O ' HD12 ' A' ' 34' ' ' LEU . 30.4 m170 -63.49 145.11 56.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.853 0.359 . . . . 0.0 110.84 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.494 ' OG1' HD13 ' A' ' 34' ' ' LEU . 37.2 m -107.72 132.11 53.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.511 HG22 ' HB2' ' A' ' 45' ' ' CYS . 9.7 mt -140.87 148.17 22.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.114 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.442 ' SG ' ' HB3' ' A' ' 44' ' ' GLN . 17.0 p -71.47 133.52 45.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.415 ' HD2' ' N ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -38.88 -36.4 0.27 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.442 ' HB3' ' SG ' ' A' ' 42' ' ' CYS . 4.3 tt0 -52.9 -56.42 16.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.511 ' HB2' HG22 ' A' ' 41' ' ' ILE . 59.9 m -65.14 -42.3 93.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.644 ' CD1' HD21 ' A' ' 35' ' ' LEU . 5.6 tp -61.98 -33.94 75.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.533 ' OE2' HD11 ' A' ' 71' ' ' LEU . 4.2 mm-40 -63.96 -50.0 70.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -51.66 -36.39 46.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.953 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 92.6 mt -78.64 -53.21 7.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.497 ' HA ' HG22 ' A' ' 57' ' ' VAL . 2.3 tt -51.92 -46.7 64.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 50' ' ' LEU . . . -34.48 -61.64 0.38 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.093 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 50.4 m -67.77 -64.29 0.89 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.9 p -42.89 157.65 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.83 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 13.0 tt -134.63 -36.88 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.084 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 55.2 m-20 -105.59 42.1 1.29 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 114.92 153.49 10.5 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.508 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.497 HG22 ' HA ' ' A' ' 50' ' ' LEU . 97.6 t -93.89 131.45 40.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.766 0.317 . . . . 0.0 111.154 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 28.3 ttp180 -87.9 115.37 25.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.446 ' O ' ' HA ' ' A' ' 63' ' ' SER . 42.7 t -68.17 124.94 90.89 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.668 0.747 . . . . 0.0 110.895 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 3.66 2.67 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.672 2.248 . . . . 0.0 112.322 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -106.58 -62.32 1.41 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 24.9 p -102.43 -23.75 13.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.827 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.446 ' HA ' ' O ' ' A' ' 59' ' ' CYS . 3.7 t 74.98 43.43 0.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 27.9 mttm -102.1 94.22 5.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.879 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 33.5 mm -41.11 126.14 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.127 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.514 ' OG1' HD22 ' A' ' 35' ' ' LEU . 1.2 m -103.01 84.41 2.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.116 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 22.5 mmt85 -52.86 87.21 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.69 ' CD1' HD23 ' A' ' 74' ' ' LEU . 1.7 pt -149.72 116.92 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.112 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 15.2 t -72.73 -30.95 64.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.136 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.2 t -113.76 157.93 21.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.533 HD11 ' OE2' ' A' ' 47' ' ' GLU . 65.7 mt -68.79 -26.42 65.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.937 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 10.9 t -82.95 -24.41 33.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.139 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.509 ' HB3' HG22 ' A' ' 68' ' ' ILE . 4.0 mm100 -50.71 -55.52 16.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.873 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.69 HD23 ' CD1' ' A' ' 68' ' ' ILE . 2.2 pp -51.52 -175.1 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.918 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 58.0 m -83.26 126.28 32.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.151 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -68.72 151.38 46.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.818 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.796 ' OD1' HD13 ' A' ' 34' ' ' LEU . 3.0 t30 -125.9 68.4 1.18 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.947 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.758 HD13 ' H ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -81.3 -5.01 57.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.97 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.503 ' N ' HD22 ' A' ' 78' ' ' LEU . 9.9 t -56.63 -39.92 74.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.162 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.585 HG21 ' HB3' ' A' ' 32' ' ' PRO . 21.2 m -67.13 -32.26 56.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.167 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 40.1 mt -78.21 -34.33 49.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.878 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 19.8 ttpp -55.81 156.42 5.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 25.3 t -66.58 111.88 3.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.818 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 65.54 -175.73 15.67 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.491 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 155.68 65.15 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.694 2.263 . . . . 0.0 112.342 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 53.5 p -91.09 -42.88 10.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 32.5 m -129.62 130.04 45.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.842 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 CA-C-O 119.139 -0.812 . . . . 0.0 112.444 -179.972 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.0 t -79.35 136.52 37.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.873 0.368 . . . . 0.0 110.836 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.4 p -137.1 168.92 18.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.835 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.38 131.88 10.79 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.503 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.1 m -100.38 175.81 5.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.917 0.389 . . . . 0.0 110.835 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.7 m -38.8 137.61 0.62 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.823 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.53 121.93 2.43 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.523 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -95.12 102.04 13.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.846 0.355 . . . . 0.0 110.898 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.5 ' H ' HD23 ' A' ' 9' ' ' LEU . 2.5 pt? -142.17 127.89 19.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -160.21 115.89 2.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.87 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -116.8 -53.93 2.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.128 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -83.35 128.67 34.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.7 ptm85 -109.53 42.11 1.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -112.23 166.9 10.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 33.7 m -104.97 38.46 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 29.4 mt -44.22 -23.06 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -107.81 150.62 26.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.917 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.483 ' SG ' HG23 ' A' ' 41' ' ' ILE . 52.0 t -67.29 135.09 93.33 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.659 0.743 . . . . 0.0 110.841 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.558 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 54.1 Cg_endo -69.78 -0.42 6.91 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.675 2.25 . . . . 0.0 112.359 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.413 HD12 ' HB3' ' A' ' 45' ' ' CYS . 50.0 mt -111.45 -75.42 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.142 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.407 ' SG ' ' HB3' ' A' ' 18' ' ' CYS . 8.0 p -73.16 -29.57 62.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.441 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 79.3 mmm 69.91 40.04 1.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.492 ' HB3' ' CD1' ' A' ' 30' ' ' LEU . 29.9 mt-10 -116.73 124.07 48.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 23' ' ' GLU . 5.9 t -35.11 133.33 0.32 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.848 -179.788 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.427 ' CG ' ' HB3' ' A' ' 32' ' ' PRO . 36.3 m-85 -70.67 108.44 4.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.896 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.416 ' C ' ' N ' ' A' ' 28' ' ' GLU . 12.6 p -111.63 109.67 19.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.155 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -45.04 -20.95 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.416 ' N ' ' C ' ' A' ' 26' ' ' THR . 20.9 tt0 -67.12 -47.06 72.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.913 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -128.93 -76.38 0.56 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.909 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.492 ' CD1' ' HB3' ' A' ' 23' ' ' GLU . 59.8 mt -65.42 75.6 0.06 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.927 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -72.85 121.29 84.64 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.591 0.71 . . . . 0.0 110.879 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.503 ' HB3' HG21 ' A' ' 80' ' ' VAL . 53.3 Cg_endo -69.81 107.6 1.9 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.669 2.246 . . . . 0.0 112.327 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -110.9 131.98 54.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.727 HD22 ' OD1' ' A' ' 77' ' ' ASN . 5.9 tp -94.72 124.5 38.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.9 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.59 HD21 ' CD1' ' A' ' 46' ' ' LEU . 47.6 mt -79.0 162.3 26.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.961 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -61.68 -8.25 4.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.506 ' CB ' ' SG ' ' A' ' 62' ' ' CYS . 24.3 p -89.38 -45.91 9.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.696 ' O ' HD11 ' A' ' 34' ' ' LEU . . . 140.08 -23.68 2.73 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.519 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.438 ' O ' HD12 ' A' ' 34' ' ' LEU . 25.2 m170 -68.41 144.28 54.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.901 0.381 . . . . 0.0 110.838 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.687 HG21 ' ND2' ' A' ' 77' ' ' ASN . 74.9 m -108.49 118.19 36.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.15 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.483 HG23 ' SG ' ' A' ' 18' ' ' CYS . 53.9 mt -127.51 150.51 33.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.1 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.442 ' SG ' ' HB3' ' A' ' 44' ' ' GLN . 17.5 p -72.33 138.64 47.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -44.94 -32.78 1.74 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.442 ' HB3' ' SG ' ' A' ' 42' ' ' CYS . 9.6 tt0 -56.75 -51.32 69.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.467 ' HB2' ' CG2' ' A' ' 41' ' ' ILE . 56.6 m -70.71 -37.55 73.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.59 ' CD1' HD21 ' A' ' 35' ' ' LEU . 6.1 tp -66.6 -34.14 77.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.462 ' CD ' HD11 ' A' ' 71' ' ' LEU . 4.5 mm-40 -65.03 -48.49 73.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.48 -36.5 61.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.921 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 72.9 mt -77.42 -52.41 9.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.91 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.421 ' O ' ' C ' ' A' ' 51' ' ' ALA . 1.2 tt -54.92 -39.66 69.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.952 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 50' ' ' LEU . . . -34.7 -58.05 0.51 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.1 t -73.18 -70.6 0.35 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 18.6 m -63.91 120.54 12.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.6 tt -96.1 -39.0 8.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.106 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -58.8 -35.46 72.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -170.47 -158.97 15.28 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.474 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.42 HG11 HD12 ' A' ' 46' ' ' LEU . 60.5 t -134.84 116.72 21.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.828 0.347 . . . . 0.0 111.112 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.463 ' CZ ' ' HB3' ' A' ' 58' ' ' ARG . 19.6 ttp-105 -78.13 117.51 19.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.82 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.478 ' O ' ' HA ' ' A' ' 63' ' ' SER . 36.5 t -73.89 125.67 90.1 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.647 0.736 . . . . 0.0 110.883 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 4.38 2.2 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.666 2.244 . . . . 0.0 112.34 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.558 ' CZ ' ' HB2' ' A' ' 19' ' ' PRO . 29.7 m-85 -109.53 -55.97 2.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.506 ' SG ' ' CB ' ' A' ' 37' ' ' CYS . 26.3 p -111.26 -8.95 14.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.857 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.478 ' HA ' ' O ' ' A' ' 59' ' ' CYS . 74.9 m 52.3 51.36 16.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 71.7 mttt -113.09 97.2 6.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.922 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 44.2 mm -40.95 124.29 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.126 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.541 ' OG1' HD22 ' A' ' 35' ' ' LEU . 5.4 m -76.99 -30.6 56.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.175 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 5.5 mmt-85 64.03 54.69 1.65 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.924 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.78 HD13 ' HB3' ' A' ' 74' ' ' LEU . 1.1 pt -133.25 118.75 33.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.103 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 9.7 t -63.95 -39.79 94.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.196 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 45.6 m -107.05 179.68 4.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.563 HD22 HD23 ' A' ' 46' ' ' LEU . 19.9 mt -89.21 -40.59 12.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 8.0 t -71.24 -12.79 61.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.103 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.461 ' HB3' HG22 ' A' ' 68' ' ' ILE . 11.6 mm100 -64.04 -57.09 10.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.936 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.78 ' HB3' HD13 ' A' ' 68' ' ' ILE . 0.5 OUTLIER -52.45 179.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 34' ' ' LEU . 21.4 m -74.4 131.33 40.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.14 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -78.96 147.83 32.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.727 ' OD1' HD22 ' A' ' 34' ' ' LEU . 4.2 t30 -120.98 61.52 0.89 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.922 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.751 HD13 ' H ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -74.9 -5.88 46.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.484 ' N ' HD22 ' A' ' 78' ' ' LEU . 9.9 t -54.53 -41.31 69.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.116 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.503 HG21 ' HB3' ' A' ' 32' ' ' PRO . 23.3 m -62.21 -35.77 70.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.156 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 42.8 mt -70.72 -38.01 73.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.95 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.9 tmtt? -57.71 129.93 44.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 88.3 p -158.35 147.44 19.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 144.91 139.09 3.39 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.508 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -9.42 26.08 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.722 2.281 . . . . 0.0 112.339 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 6.2 t -78.16 88.39 4.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 84.4 p -51.17 -40.05 57.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 CA-C-O 119.122 -0.821 . . . . 0.0 112.51 -179.996 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.531 -0.228 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 m -158.44 143.1 16.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.865 0.364 . . . . 0.0 110.806 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 m -146.4 153.42 40.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.885 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.89 135.79 1.9 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.495 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.0 t -126.52 138.93 53.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.848 0.356 . . . . 0.0 110.845 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.6 p -114.18 157.43 22.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.55 147.43 17.09 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.515 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -140.63 178.63 7.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.862 0.363 . . . . 0.0 110.887 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.4 HD23 ' H ' ' A' ' 9' ' ' LEU . 1.8 pt? -123.73 148.69 46.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -116.63 103.57 10.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -111.85 14.71 21.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.116 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.642 HD13 HD12 ' A' ' 16' ' ' LEU . 3.4 mt -62.47 153.92 30.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.3 ptp180 -115.41 -31.6 5.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -76.76 168.91 19.26 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.886 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.4 m -99.12 43.48 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.079 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.642 HD12 HD13 ' A' ' 12' ' ' LEU . 20.5 mt -55.6 -18.14 7.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -107.42 153.37 22.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.902 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.446 ' O ' ' HA ' ' A' ' 22' ' ' MET . 53.9 t -66.58 136.29 94.79 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.638 0.732 . . . . 0.0 110.882 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.506 ' CD ' ' O ' ' A' ' 40' ' ' THR . 53.4 Cg_endo -69.77 0.5 5.56 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.636 2.224 . . . . 0.0 112.385 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 41.2 mt -115.12 -74.72 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.106 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 15.5 p -74.77 -26.13 59.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.446 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 16.3 mmt 63.86 52.47 2.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -120.38 129.56 53.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.789 ' O ' HG23 ' A' ' 26' ' ' THR . 65.5 p -41.79 105.09 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.77 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.459 ' CD2' HG21 ' A' ' 80' ' ' VAL . 17.9 m-85 -41.99 100.43 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.872 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.789 HG23 ' O ' ' A' ' 24' ' ' SER . 37.0 p -101.17 109.41 21.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.13 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -44.44 -38.3 3.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.94 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -45.82 -65.12 0.59 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.86 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 11.1 tp60 -116.67 -70.67 0.78 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.942 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 74.3 mt -65.86 75.44 0.08 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -80.73 128.58 71.38 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.586 0.708 . . . . 0.0 110.856 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.566 ' HB3' HG21 ' A' ' 80' ' ' VAL . 53.6 Cg_endo -69.75 119.59 6.52 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.651 2.234 . . . . 0.0 112.359 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm -121.8 132.57 54.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.875 HD11 ' O ' ' A' ' 38' ' ' GLY . 5.9 tp -96.47 132.74 41.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.699 HD21 ' CD1' ' A' ' 46' ' ' LEU . 63.4 mt -85.98 162.5 18.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -58.48 -10.94 2.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.805 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.415 ' SG ' ' HB2' ' A' ' 35' ' ' LEU . 29.3 p -89.23 -47.29 8.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.858 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.875 ' O ' HD11 ' A' ' 34' ' ' LEU . . . 142.18 -29.37 2.18 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.507 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.427 ' O ' HD12 ' A' ' 34' ' ' LEU . 28.6 m170 -62.36 142.91 57.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.895 0.379 . . . . 0.0 110.847 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.52 ' OG1' HD13 ' A' ' 34' ' ' LEU . 87.9 m -104.58 131.93 51.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.167 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.541 HG22 ' HB2' ' A' ' 45' ' ' CYS . 10.6 mt -140.46 145.49 25.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.153 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.431 ' SG ' ' HB3' ' A' ' 44' ' ' GLN . 17.5 p -71.7 131.55 43.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 42' ' ' CYS . 2.3 ppt_? -37.38 -34.57 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.431 ' HB3' ' SG ' ' A' ' 42' ' ' CYS . 7.8 tt0 -56.7 -50.22 72.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.935 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.541 ' HB2' HG22 ' A' ' 41' ' ' ILE . 52.0 m -71.25 -40.17 71.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.699 ' CD1' HD21 ' A' ' 35' ' ' LEU . 6.1 tp -62.04 -41.0 97.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.892 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.725 ' OE1' HD21 ' A' ' 71' ' ' LEU . 4.5 mm-40 -55.85 -51.4 67.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -51.21 -36.67 42.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.526 HD13 ' O ' ' A' ' 58' ' ' ARG . 95.9 mt -75.52 -54.55 6.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.884 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.439 ' O ' HD23 ' A' ' 50' ' ' LEU . 2.2 tt -52.69 -35.3 55.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.31 -70.96 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.124 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.7 t -69.58 -40.51 76.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.841 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 36.6 m -51.76 -177.54 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.848 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.433 ' O ' ' N ' ' A' ' 56' ' ' GLY . 15.9 tt -157.29 154.8 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.111 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.429 ' C ' ' O ' ' A' ' 54' ' ' ILE . 75.1 m-20 35.59 34.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 54' ' ' ILE . . . 139.19 157.38 7.29 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.481 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 88.6 t -100.77 133.23 44.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.844 0.354 . . . . 0.0 111.106 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.526 ' O ' HD13 ' A' ' 49' ' ' LEU . 24.6 ttm180 -87.22 125.25 34.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.467 ' O ' ' HA ' ' A' ' 63' ' ' SER . 16.9 t -84.35 126.1 70.26 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.659 0.742 . . . . 0.0 110.916 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 3.82 2.57 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.696 2.264 . . . . 0.0 112.349 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -110.09 -63.5 1.37 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 22.3 p -99.04 -20.06 16.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.467 ' HA ' ' O ' ' A' ' 59' ' ' CYS . 5.3 p 65.73 43.05 3.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -103.06 100.74 10.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.9 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.414 ' CG2' ' HA3' ' A' ' 56' ' ' GLY . 48.5 mm -45.66 120.17 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.151 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.588 HG22 HG12 ' A' ' 68' ' ' ILE . 7.5 m -95.37 84.82 4.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 5.2 mmm180 -51.65 87.72 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.826 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.588 HG12 HG22 ' A' ' 66' ' ' THR . 1.3 pt -149.48 106.27 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.124 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 12.0 t -63.46 -29.31 70.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.155 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 50.3 m -112.73 165.87 11.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.725 HD21 ' OE1' ' A' ' 47' ' ' GLU . 91.2 mt -77.29 -28.76 53.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.906 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 8.7 t -83.42 -22.46 32.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.11 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.533 ' HB3' HG22 ' A' ' 68' ' ' ILE . 8.0 mm100 -50.8 -51.94 45.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.911 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.437 ' CA ' HG21 ' A' ' 68' ' ' ILE . 1.4 pp -52.59 -174.5 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.948 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 85.6 m -83.77 126.12 32.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.127 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -72.18 148.96 45.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.842 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.807 ' ND2' HD22 ' A' ' 34' ' ' LEU . 3.0 t-20 -125.25 67.4 1.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.743 HD13 ' H ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -78.98 12.47 2.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.938 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.3 t -76.63 -39.66 51.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.566 HG21 ' HB3' ' A' ' 32' ' ' PRO . 31.3 m -67.92 -26.91 35.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.151 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 87.3 mt -80.31 -36.42 34.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -149.58 148.36 29.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 35.9 t -87.28 110.68 20.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -136.52 120.28 2.15 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.492 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 94.85 0.54 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.672 2.248 . . . . 0.0 112.322 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 60.3 m -62.06 126.36 27.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 34.5 m -139.3 130.21 26.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.884 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 CA-C-O 119.118 -0.823 . . . . 0.0 112.502 -179.969 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.441 -0.264 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.1 t -160.58 167.82 26.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.913 0.387 . . . . 0.0 110.836 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.5 t -144.91 152.01 39.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.873 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.14 77.53 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.496 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.3 m -136.18 128.1 29.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.867 0.365 . . . . 0.0 110.853 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.2 t -119.02 164.17 15.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.824 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.37 92.74 0.29 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.474 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 31.6 p-10 -122.4 42.21 3.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.878 0.371 . . . . 0.0 110.898 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.7 tp -138.72 147.85 43.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -135.52 122.57 21.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -99.67 -27.47 13.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.132 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -54.24 111.31 0.75 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 30.8 ptt180 -112.11 -36.17 5.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -45.75 167.16 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 21.7 m -104.71 35.82 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.119 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 28.3 mt -47.5 -20.73 0.26 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -110.03 149.91 29.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.887 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.442 ' O ' ' HA ' ' A' ' 22' ' ' MET . 53.3 t -62.76 134.38 95.41 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.594 0.711 . . . . 0.0 110.904 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.485 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 54.0 Cg_endo -69.74 1.18 4.66 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.72 2.28 . . . . 0.0 112.336 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.488 HD12 ' HB3' ' A' ' 45' ' ' CYS . 25.4 mt -111.95 -74.59 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.158 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.414 ' SG ' ' HB3' ' A' ' 18' ' ' CYS . 6.0 p -73.77 -25.62 60.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.442 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 85.7 mmm 66.43 40.94 3.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.88 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -117.87 126.67 52.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.933 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.606 ' O ' HG23 ' A' ' 26' ' ' THR . 8.3 t -38.11 125.71 1.26 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 -179.743 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.565 ' CD2' HG21 ' A' ' 80' ' ' VAL . 29.3 m-85 -59.96 100.08 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.606 HG23 ' O ' ' A' ' 24' ' ' SER . 24.0 p -101.15 99.1 9.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.18 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 26' ' ' THR . 1.3 pp20? -36.95 -40.49 0.29 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -44.52 -59.87 2.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -118.28 -70.35 0.8 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.944 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 59.7 mt -69.67 82.91 0.43 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.938 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 56.1 mtm-85 -81.94 126.53 74.87 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.604 0.716 . . . . 0.0 110.897 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.603 ' HB3' HG21 ' A' ' 80' ' ' VAL . 53.9 Cg_endo -69.8 115.59 4.17 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.632 2.222 . . . . 0.0 112.389 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.444 ' NZ ' ' O ' ' A' ' 71' ' ' LEU . 14.2 mmmt -112.33 142.51 44.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.888 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.615 HD11 ' O ' ' A' ' 38' ' ' GLY . 6.7 tp -110.26 132.39 54.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.954 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.769 HD22 ' OG1' ' A' ' 66' ' ' THR . 90.3 mt -92.52 162.63 14.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -60.85 -8.45 3.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 30.0 p -88.48 -43.18 11.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.615 ' O ' HD11 ' A' ' 34' ' ' LEU . . . 136.2 -30.65 2.7 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.454 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.406 ' CE1' ' HB3' ' A' ' 61' ' ' PHE . 23.1 m170 -61.1 141.17 57.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.847 0.356 . . . . 0.0 110.886 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.423 ' OG1' HD13 ' A' ' 34' ' ' LEU . 27.7 m -107.16 122.52 46.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.139 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.471 HG22 ' HB2' ' A' ' 45' ' ' CYS . 11.2 mt -130.7 148.22 33.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.1 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.443 ' SG ' ' HB3' ' A' ' 44' ' ' GLN . 16.8 p -72.13 148.66 45.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.4 ' HD2' ' C ' ' A' ' 43' ' ' ARG . 5.3 ppt_? -50.9 -36.64 39.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.443 ' HB3' ' SG ' ' A' ' 42' ' ' CYS . 7.5 tt0 -53.6 -51.87 61.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.488 ' HB3' HD12 ' A' ' 20' ' ' ILE . 76.8 m -72.75 -41.69 64.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.787 HD23 HD22 ' A' ' 71' ' ' LEU . 5.9 tp -61.09 -33.65 73.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.745 ' OE1' HD21 ' A' ' 71' ' ' LEU . 5.0 mm-40 -67.04 -49.69 64.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.928 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -50.62 -32.71 19.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.904 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 70.8 mt -84.08 -55.47 4.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.929 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.2 tt -50.0 -41.83 47.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -42.32 -66.43 0.36 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.082 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.9 t -63.69 -57.36 10.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.862 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.1 p -47.89 147.13 2.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.801 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.9 tt -127.24 -30.09 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.115 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -109.32 41.84 1.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.465 ' HA3' ' CG2' ' A' ' 65' ' ' ILE . . . 111.0 154.51 13.38 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.486 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 60.5 t -87.49 130.65 36.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.824 0.345 . . . . 0.0 111.11 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.437 ' HB3' ' NH1' ' A' ' 58' ' ' ARG . 20.5 ttp-105 -91.29 116.93 29.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.824 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 63' ' ' SER . 33.3 t -71.82 121.16 83.75 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.637 0.732 . . . . 0.0 110.904 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 3.3 2.84 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.695 2.263 . . . . 0.0 112.349 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.485 ' CZ ' ' HB2' ' A' ' 19' ' ' PRO . 33.3 m-85 -104.46 -55.35 2.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 24.8 p -109.04 -22.97 11.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.85 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.415 ' HA ' ' O ' ' A' ' 59' ' ' CYS . 8.5 t 71.13 48.74 0.36 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.865 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 76.8 mttt -114.18 100.74 8.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.465 ' CG2' ' HA3' ' A' ' 56' ' ' GLY . 44.9 mm -45.45 124.34 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.148 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.769 ' OG1' HD22 ' A' ' 35' ' ' LEU . 7.5 m -76.91 -28.45 55.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.174 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 10.7 mmm180 60.99 53.29 3.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.776 ' CD1' HD23 ' A' ' 74' ' ' LEU . 1.8 pt -131.47 116.98 33.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.135 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 11.9 t -84.46 34.93 0.53 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.088 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.472 ' O ' HD12 ' A' ' 68' ' ' ILE . 2.9 m -175.68 151.71 1.2 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.842 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.787 HD22 HD23 ' A' ' 46' ' ' LEU . 59.7 mt -70.73 -23.5 62.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 13.2 t -87.72 -26.9 22.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.158 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 -51.31 -60.81 2.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.776 HD23 ' CD1' ' A' ' 68' ' ' ILE . 2.3 pp -51.31 -175.14 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.948 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 98.8 m -87.43 127.14 35.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.104 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -71.68 156.23 39.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -127.43 68.31 1.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.641 HD13 ' H ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -85.02 16.26 3.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.4 t -83.36 -30.06 27.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.119 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.603 HG21 ' HB3' ' A' ' 32' ' ' PRO . 15.3 m -72.65 -26.9 24.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.085 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 74.1 mt -72.86 -40.4 65.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.454 ' O ' ' C ' ' A' ' 83' ' ' SER . 40.7 mmtt -92.43 40.09 1.04 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.454 ' C ' ' O ' ' A' ' 82' ' ' LYS . 18.6 t 33.84 42.07 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -67.21 115.63 7.32 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.44 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 91.4 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.68 2.253 . . . . 0.0 112.341 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 29.8 p -108.63 123.85 49.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 33.2 t -120.29 121.59 38.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 119.187 -0.785 . . . . 0.0 112.494 -179.979 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 3' ' ' SER . 3.8 t -59.77 -56.72 18.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.896 0.379 . . . . 0.0 110.862 -179.749 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 2' ' ' SER . 52.9 p -35.01 145.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.831 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.11 122.02 0.74 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.443 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.8 p -160.4 115.55 2.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.873 0.368 . . . . 0.0 110.868 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.5 t -124.68 99.36 6.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.852 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.38 106.36 2.84 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.495 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -120.18 41.68 3.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.865 0.365 . . . . 0.0 110.909 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -52.8 176.18 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.967 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -133.76 114.06 12.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -94.15 -56.62 2.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.076 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -56.0 169.17 0.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.43 ' C ' ' OE1' ' A' ' 14' ' ' GLU . 9.3 ptm180 -107.89 40.73 1.67 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.43 ' OE1' ' C ' ' A' ' 13' ' ' ARG . 0.7 OUTLIER -119.68 166.7 12.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.926 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.474 ' O ' ' N ' ' A' ' 17' ' ' GLU . 33.0 m -103.64 32.76 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.128 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.9 mt -39.95 -25.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.913 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 15' ' ' VAL . 4.3 mt-10 -109.32 150.31 28.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.452 ' O ' ' HA ' ' A' ' 22' ' ' MET . 53.6 t -62.85 135.87 96.2 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.595 0.712 . . . . 0.0 110.85 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.58 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 53.6 Cg_endo -69.75 0.22 5.95 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.69 2.26 . . . . 0.0 112.329 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.558 HD11 HD13 ' A' ' 41' ' ' ILE . 47.6 mt -114.71 -74.06 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.122 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 20.8 p -75.82 -27.03 57.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.452 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 7.1 mmt 66.07 49.33 1.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.466 ' HB3' HD13 ' A' ' 30' ' ' LEU . 5.5 mm-40 -119.22 126.81 52.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 99.9 p -39.85 121.19 1.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.836 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.596 ' CD2' HG21 ' A' ' 80' ' ' VAL . 31.0 m-85 -59.84 106.69 0.52 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.887 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.71 ' O ' HD21 ' A' ' 81' ' ' LEU . 39.0 p -85.56 -174.44 5.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.146 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.436 ' HG2' HD22 ' A' ' 81' ' ' LEU . 2.3 mm-40 -96.4 -63.61 1.13 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -83.99 27.13 0.67 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.5 ' O ' ' C ' ' A' ' 30' ' ' LEU . 3.0 tp60 -173.38 171.35 4.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.5 ' C ' ' O ' ' A' ' 29' ' ' GLN . 25.5 mt 30.22 45.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.937 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.9 mtp85 -58.69 128.73 84.18 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.637 0.732 . . . . 0.0 110.877 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.539 ' HB3' HG21 ' A' ' 80' ' ' VAL . 53.6 Cg_endo -69.8 113.34 3.35 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.652 2.235 . . . . 0.0 112.359 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.403 ' NZ ' ' HB3' ' A' ' 71' ' ' LEU . 3.0 mmmm -112.28 130.55 55.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.664 HD11 ' O ' ' A' ' 38' ' ' GLY . 6.8 tp -97.76 132.75 43.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.583 HD22 ' OG1' ' A' ' 66' ' ' THR . 87.2 mt -91.49 162.61 14.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.914 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.42 ' H ' HG23 ' A' ' 66' ' ' THR . 0.5 OUTLIER -62.34 -6.95 3.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 179.846 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.401 ' SG ' ' HB2' ' A' ' 35' ' ' LEU . 29.9 p -88.92 -45.14 9.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.664 ' O ' HD11 ' A' ' 34' ' ' LEU . . . 139.33 -30.2 2.45 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.473 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.452 ' O ' HD12 ' A' ' 34' ' ' LEU . 26.4 m170 -64.24 144.21 57.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.847 0.356 . . . . 0.0 110.869 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.484 ' OG1' HD13 ' A' ' 34' ' ' LEU . 28.7 m -110.7 122.61 48.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.186 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.558 HD13 HD11 ' A' ' 20' ' ' ILE . 55.7 mt -131.15 152.26 37.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.134 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.446 ' SG ' ' HB3' ' A' ' 44' ' ' GLN . 16.3 p -72.03 147.51 46.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.528 ' HG3' ' N ' ' A' ' 44' ' ' GLN . 3.3 ptt180 -53.04 -32.19 45.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.528 ' N ' ' HG3' ' A' ' 43' ' ' ARG . 17.6 tt0 -57.81 -45.07 86.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.922 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.489 ' HB2' ' CG2' ' A' ' 41' ' ' ILE . 92.7 m -79.81 -32.07 40.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.743 HD23 HD22 ' A' ' 71' ' ' LEU . 5.2 tp -70.27 -33.29 71.41 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.628 ' OE2' HD11 ' A' ' 71' ' ' LEU . 4.6 mm-40 -68.75 -45.91 70.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.88 -30.02 65.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.901 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 95.9 mt -85.37 -51.55 6.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.935 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.645 HD13 HD23 ' A' ' 71' ' ' LEU . 1.7 tt -53.32 -42.19 66.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.89 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -47.82 -57.44 5.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.109 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.6 t -60.89 -67.33 0.41 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.5 m -54.63 160.56 1.78 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.874 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.464 HG23 ' N ' ' A' ' 55' ' ' ASN . 13.3 tt -129.58 -43.18 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.14 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.464 ' N ' HG23 ' A' ' 54' ' ' ILE . 68.8 m-80 -88.99 37.67 0.86 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.402 ' HA3' ' CG2' ' A' ' 65' ' ' ILE . . . 126.31 -161.11 20.71 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.485 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.471 HG22 ' HA ' ' A' ' 50' ' ' LEU . 86.1 t -135.35 113.65 15.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.797 0.332 . . . . 0.0 111.128 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.434 ' HB3' ' NH1' ' A' ' 58' ' ' ARG . 20.5 ttp-105 -73.74 118.49 16.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.451 ' O ' ' HA ' ' A' ' 63' ' ' SER . 35.4 t -71.41 127.99 90.57 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.614 0.721 . . . . 0.0 110.913 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 3.6 2.68 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.676 2.251 . . . . 0.0 112.343 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.58 ' CZ ' ' HB2' ' A' ' 19' ' ' PRO . 28.7 m-85 -112.9 -59.01 2.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 26.6 p -103.15 -18.93 14.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.451 ' HA ' ' O ' ' A' ' 59' ' ' CYS . 5.7 t 61.86 46.32 6.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.833 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 38.6 mttm -110.23 95.0 5.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.855 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.402 ' CG2' ' HA3' ' A' ' 56' ' ' GLY . 45.7 mm -37.73 124.75 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.154 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.583 ' OG1' HD22 ' A' ' 35' ' ' LEU . 18.1 m -77.41 -28.48 52.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 7.2 mmt180 64.88 54.84 1.26 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.659 ' CD1' HD23 ' A' ' 74' ' ' LEU . 1.1 pt -132.23 124.55 52.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.158 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.41 HG23 ' OE1' ' A' ' 73' ' ' GLN . 1.2 p -68.49 -46.39 69.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.131 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.2 p -104.29 173.29 6.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.743 HD22 HD23 ' A' ' 46' ' ' LEU . 15.8 mt -79.87 -41.4 26.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 11.2 t -68.23 -7.39 30.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.166 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.608 ' HB3' HG22 ' A' ' 68' ' ' ILE . 2.9 mt-30 -67.26 -61.55 1.86 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.659 HD23 ' CD1' ' A' ' 68' ' ' ILE . 1.7 pp -49.23 -179.53 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.466 ' O ' ' N ' ' A' ' 34' ' ' LEU . 85.7 m -77.5 135.5 38.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.171 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -82.43 150.6 27.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.464 ' ND2' HG22 ' A' ' 79' ' ' THR . 24.2 t-20 -124.36 67.25 1.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.868 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.705 HD13 ' H ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -81.75 14.94 2.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.943 179.913 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.464 HG22 ' ND2' ' A' ' 77' ' ' ASN . 15.2 t -79.21 -31.21 43.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.118 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.596 HG21 ' CD2' ' A' ' 25' ' ' PHE . 18.7 m -78.37 -26.55 14.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.122 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.71 HD21 ' O ' ' A' ' 26' ' ' THR . 64.5 mt -79.36 -37.35 37.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 34.4 mmtt -80.84 172.24 13.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 46.2 p -57.68 161.83 3.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.824 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -79.24 145.8 28.5 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.477 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 111.86 2.93 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.646 2.231 . . . . 0.0 112.352 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 6.3 t -94.36 122.32 36.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 17.2 t -76.74 86.64 3.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.252 0 CA-C-O 119.183 -0.787 . . . . 0.0 112.432 -179.992 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t -168.24 136.54 2.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.831 0.348 . . . . 0.0 110.86 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 t -100.32 164.06 12.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.829 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.15 90.67 0.12 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.473 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.3 p -133.66 98.53 4.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.875 0.369 . . . . 0.0 110.891 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.2 m -150.58 154.97 38.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.852 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.94 148.83 20.77 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.484 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 11.6 p-10 -164.84 177.75 7.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.863 0.363 . . . . 0.0 110.925 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.8 tp -89.18 140.01 29.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.951 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -98.18 97.56 8.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.813 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -105.22 -36.5 7.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -56.45 157.15 5.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.903 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 31.3 ptt180 -98.64 36.0 1.73 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -119.51 176.81 5.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 17' ' ' GLU . 34.1 m -120.72 36.89 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.127 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 66.0 mt -41.21 -24.88 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.951 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 15' ' ' VAL . 9.7 mt-10 -106.1 152.52 23.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.884 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.457 ' O ' ' HA ' ' A' ' 22' ' ' MET . 53.3 t -68.04 135.89 91.78 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.641 0.734 . . . . 0.0 110.843 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.527 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 53.3 Cg_endo -69.8 0.45 5.66 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.693 2.262 . . . . 0.0 112.32 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.508 HD12 ' HB3' ' A' ' 45' ' ' CYS . 36.1 mt -113.81 -75.29 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.152 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 11.1 p -73.57 -26.91 61.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.879 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.457 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 7.8 mmt 67.54 43.13 1.96 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.896 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.42 ' HB3' ' CD1' ' A' ' 30' ' ' LEU . 28.0 mm-40 -117.64 126.85 53.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 23' ' ' GLU . 6.3 t -36.28 129.75 0.7 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.866 -179.795 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.602 ' CD2' HG21 ' A' ' 80' ' ' VAL . 15.4 m-85 -66.64 101.07 0.74 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.88 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 46.0 p -96.16 137.85 34.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.104 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -82.02 11.49 5.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -106.72 -43.86 4.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -126.63 -68.54 0.8 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.929 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.42 ' CD1' ' HB3' ' A' ' 23' ' ' GLU . 21.7 mt -78.76 82.03 5.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 38.1 mtp180 -81.15 128.32 71.11 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.596 0.713 . . . . 0.0 110.847 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.617 ' HB3' HG21 ' A' ' 80' ' ' VAL . 54.0 Cg_endo -69.72 121.58 8.27 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.714 2.276 . . . . 0.0 112.392 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.9 mmmt -119.11 136.92 53.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.928 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.604 HD11 ' O ' ' A' ' 38' ' ' GLY . 5.9 tp -104.69 128.17 52.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.473 HD21 ' CD1' ' A' ' 46' ' ' LEU . 70.8 mt -86.53 162.5 18.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.969 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.414 ' H ' HG23 ' A' ' 66' ' ' THR . 0.4 OUTLIER -62.27 -7.28 4.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 179.927 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.4 p -90.33 -44.13 9.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.604 ' O ' HD11 ' A' ' 34' ' ' LEU . . . 139.47 -32.14 2.27 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.492 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.405 ' ND1' ' HB2' ' A' ' 61' ' ' PHE . 23.4 m170 -60.92 140.86 57.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.87 0.367 . . . . 0.0 110.855 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.453 ' O ' ' CD ' ' A' ' 19' ' ' PRO . 4.5 m -107.54 119.59 39.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.126 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.504 HD13 HD11 ' A' ' 20' ' ' ILE . 45.1 mt -129.0 149.18 33.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.1 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.45 ' SG ' ' HB3' ' A' ' 44' ' ' GLN . 16.1 p -71.97 143.15 49.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.853 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.489 ' HG3' ' N ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -47.82 -36.92 12.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.489 ' N ' ' HG3' ' A' ' 43' ' ' ARG . 31.4 tt0 -53.91 -47.17 71.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.508 ' HB3' HD12 ' A' ' 20' ' ' ILE . 58.0 m -76.13 -34.66 59.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.745 HD23 HD22 ' A' ' 71' ' ' LEU . 5.8 tp -67.02 -31.89 72.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -65.02 -47.21 78.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.14 -37.22 64.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.916 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 58.4 mt -79.22 -50.27 11.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.656 HD13 HD23 ' A' ' 71' ' ' LEU . 1.5 tt -58.54 -31.03 67.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.09 -58.26 7.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.054 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 32.6 t -64.81 -41.98 95.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.0 p -52.76 -174.66 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.835 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.594 HG23 ' N ' ' A' ' 55' ' ' ASN . 1.2 tp -113.49 -53.51 5.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.165 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.594 ' N ' HG23 ' A' ' 54' ' ' ILE . 42.2 m-80 -132.89 -38.77 0.98 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.41 ' HA3' ' CG2' ' A' ' 65' ' ' ILE . . . -106.56 172.0 17.95 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.497 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.439 HG11 HD12 ' A' ' 46' ' ' LEU . 89.5 t -117.16 101.89 12.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.778 0.323 . . . . 0.0 111.142 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 23.0 ttm180 -63.91 114.58 4.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.484 ' O ' ' N ' ' A' ' 63' ' ' SER . 18.8 t -68.43 124.23 89.42 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.579 0.704 . . . . 0.0 110.886 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 3.97 2.46 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.706 2.27 . . . . 0.0 112.352 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.527 ' CZ ' ' HB2' ' A' ' 19' ' ' PRO . 28.4 m-85 -110.87 -52.37 2.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 27.7 p -113.06 -11.73 13.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.484 ' N ' ' O ' ' A' ' 59' ' ' CYS . 63.6 m 53.86 51.69 14.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.827 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.467 ' O ' ' C ' ' A' ' 65' ' ' ILE . 49.0 mttm -114.77 88.42 2.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.467 ' C ' ' O ' ' A' ' 64' ' ' LYS . 29.3 mm -30.93 129.77 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.434 ' CG2' HG12 ' A' ' 68' ' ' ILE . 21.6 m -86.25 -27.25 24.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.124 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 20.5 mmt180 64.47 53.76 1.59 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.911 HD13 ' HB3' ' A' ' 74' ' ' LEU . 2.2 pt -134.59 105.34 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.153 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.434 HG22 ' OE1' ' A' ' 73' ' ' GLN . 5.8 t -61.68 -30.53 70.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.121 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.2 t -106.12 168.38 9.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.745 HD22 HD23 ' A' ' 46' ' ' LEU . 49.4 mt -85.37 -21.76 28.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.932 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 15.2 t -88.83 -24.93 22.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.166 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.496 ' HB3' HG22 ' A' ' 68' ' ' ILE . 16.7 mt-30 -50.22 -52.91 31.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.911 ' HB3' HD13 ' A' ' 68' ' ' ILE . 2.4 pp -53.69 -174.21 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 86.9 m -88.14 123.83 33.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.196 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -68.93 153.18 44.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.874 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.453 ' OD1' HG22 ' A' ' 80' ' ' VAL . 22.8 t-20 -124.76 66.98 1.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.943 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.718 HD13 ' H ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -80.98 12.87 3.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.7 t -79.69 -35.7 38.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.131 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.617 HG21 ' HB3' ' A' ' 32' ' ' PRO . 17.1 m -70.76 -23.94 24.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.121 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 21.8 mt -81.0 -35.34 32.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.95 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 83' ' ' SER . 15.5 tptp -172.38 147.28 1.92 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.922 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 82' ' ' LYS . 1.8 t -36.51 104.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.907 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -78.73 146.1 29.49 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.498 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 128.82 16.57 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.694 2.262 . . . . 0.0 112.325 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.4 m -39.97 -46.64 2.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.7 m -85.43 171.39 11.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.824 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 CA-C-O 119.103 -0.832 . . . . 0.0 112.432 -180.0 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.0 m -141.42 114.92 8.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.885 0.374 . . . . 0.0 110.859 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.3 t -131.61 148.95 52.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.67 161.16 40.16 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.464 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.6 p -162.53 140.46 8.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.87 0.367 . . . . 0.0 110.886 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 t -94.72 89.49 5.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.849 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.3 126.68 5.59 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.461 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -115.05 110.77 20.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.873 0.368 . . . . 0.0 110.873 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.504 ' C ' HD12 ' A' ' 9' ' ' LEU . 4.4 pp -167.15 163.99 15.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -136.3 107.83 6.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.835 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 12' ' ' LEU . . . -125.13 -44.85 1.88 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.109 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 11' ' ' ALA . 4.1 mm? -36.72 146.32 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.957 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.7 ptp180 -99.22 -42.79 6.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.827 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -47.18 172.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 28.2 m -101.47 35.81 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.151 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 27.6 mt -44.83 -23.17 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.965 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -112.04 140.81 46.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.462 ' O ' ' HA ' ' A' ' 22' ' ' MET . 53.5 t -55.07 135.77 67.64 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.635 0.731 . . . . 0.0 110.879 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.535 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 53.9 Cg_endo -69.73 0.18 6.0 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.744 2.296 . . . . 0.0 112.363 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 30.3 mt -113.41 -73.86 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.121 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.4 ' SG ' ' HB3' ' A' ' 18' ' ' CYS . 11.2 p -75.59 -26.71 58.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.877 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.462 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 14.9 mmt 66.41 51.54 1.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.844 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.442 ' HB3' ' CD1' ' A' ' 30' ' ' LEU . 15.4 mt-10 -121.08 135.0 55.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.866 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 24.3 p -44.7 130.44 7.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.53 ' CG ' ' HB3' ' A' ' 32' ' ' PRO . 28.8 m-85 -75.36 101.02 4.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.5 t -121.8 137.04 54.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.115 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -75.88 48.72 0.49 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -132.97 -44.04 0.87 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 42.0 tp60 -132.55 -35.48 1.13 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.941 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.442 ' CD1' ' HB3' ' A' ' 23' ' ' GLU . 4.7 mt -121.69 107.37 12.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.972 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 64.2 mtm180 -96.62 124.02 52.09 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.591 0.71 . . . . 0.0 110.883 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.53 ' HB3' ' CG ' ' A' ' 25' ' ' PHE . 53.9 Cg_endo -69.84 113.71 3.48 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.696 2.264 . . . . 0.0 112.332 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.8 mmmt -114.16 134.05 55.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.792 HD11 ' O ' ' A' ' 38' ' ' GLY . 5.7 tp -98.05 129.13 44.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.912 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.744 HD21 ' CD1' ' A' ' 46' ' ' LEU . 84.8 mt -85.36 162.64 18.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.939 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -58.95 -10.12 2.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.463 ' CB ' ' HD2' ' A' ' 64' ' ' LYS . 28.9 p -89.16 -47.02 8.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.862 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.792 ' O ' HD11 ' A' ' 34' ' ' LEU . . . 141.05 -29.49 2.31 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.48 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 28.5 m170 -61.89 142.76 57.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.88 0.371 . . . . 0.0 110.837 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.507 ' O ' ' CD ' ' A' ' 19' ' ' PRO . 90.4 m -105.41 123.52 48.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.112 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.54 HG22 ' HB2' ' A' ' 45' ' ' CYS . 10.6 mt -130.87 146.11 34.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.112 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.468 ' SG ' ' HB3' ' A' ' 44' ' ' GLN . 19.0 p -71.46 135.81 47.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.413 ' C ' ' HD3' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -41.81 -31.49 0.32 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.84 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.468 ' HB3' ' SG ' ' A' ' 42' ' ' CYS . 7.6 tt0 -58.85 -50.25 74.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.54 ' HB2' HG22 ' A' ' 41' ' ' ILE . 63.6 m -72.44 -41.4 66.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.853 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.744 ' CD1' HD21 ' A' ' 35' ' ' LEU . 5.6 tp -63.46 -36.95 85.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.579 ' CD ' HD11 ' A' ' 71' ' ' LEU . 3.5 mm-40 -60.14 -49.69 76.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.66 -36.55 57.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 90.4 mt -77.33 -54.03 6.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.925 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.415 ' HA ' HG22 ' A' ' 57' ' ' VAL . 3.3 tt -52.38 -43.48 64.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -39.83 -68.83 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.133 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.6 t -63.28 -53.42 53.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.828 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.6 m -46.16 152.82 0.37 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.825 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 9.8 tt -131.1 -33.15 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.122 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 71.2 m-20 -110.52 40.87 1.88 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 112.64 158.0 13.46 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.49 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.415 HG22 ' HA ' ' A' ' 50' ' ' LEU . 47.6 t -89.86 135.84 25.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.804 0.335 . . . . 0.0 111.12 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 56.3 ttp85 -94.01 118.24 31.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.43 ' O ' ' HA ' ' A' ' 63' ' ' SER . 34.4 t -71.89 127.2 90.99 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.624 0.726 . . . . 0.0 110.901 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 2.96 3.08 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.722 2.281 . . . . 0.0 112.281 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.535 ' CZ ' ' HB2' ' A' ' 19' ' ' PRO . 24.4 m-85 -109.74 -67.13 1.01 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.873 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 27.4 p -97.72 -21.09 17.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.865 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.43 ' HA ' ' O ' ' A' ' 59' ' ' CYS . 20.2 m 66.26 45.57 2.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.467 ' O ' ' C ' ' A' ' 65' ' ' ILE . 85.9 mttt -99.44 87.31 3.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.467 ' C ' ' O ' ' A' ' 64' ' ' LYS . 42.7 mm -32.52 125.68 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.134 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.434 ' O ' ' N ' ' A' ' 68' ' ' ILE . 0.8 OUTLIER -104.83 82.58 1.9 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.178 179.92 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.7 mpt_? -51.52 90.07 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.87 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.526 HG22 ' HB3' ' A' ' 73' ' ' GLN . 1.1 pt -151.73 106.98 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.111 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.467 ' N ' ' OE1' ' A' ' 73' ' ' GLN . 3.6 t -62.41 -36.94 83.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.152 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.6 t -107.05 161.17 14.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.657 ' CD2' HD23 ' A' ' 46' ' ' LEU . 27.6 mt -75.09 -26.47 59.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.959 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 7.0 t -85.07 -7.46 59.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.093 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.526 ' HB3' HG22 ' A' ' 68' ' ' ILE . 10.1 mt-30 -67.84 -53.94 22.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.917 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.496 ' C ' HD12 ' A' ' 74' ' ' LEU . 1.6 pp -53.78 -174.26 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.954 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 85.4 m -82.96 129.53 35.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.16 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.39 149.8 31.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.851 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.459 ' OD1' HD22 ' A' ' 34' ' ' LEU . 24.8 t30 -124.58 66.26 1.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.622 HD13 ' H ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -82.12 19.67 1.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.2 t -84.94 -34.8 22.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.172 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.483 ' CG2' ' HG3' ' A' ' 32' ' ' PRO . 18.7 m -68.87 -34.94 67.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.133 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.526 HD23 ' O ' ' A' ' 25' ' ' PHE . 5.0 mt -70.75 -38.15 73.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.454 ' C ' ' O ' ' A' ' 81' ' ' LEU . 10.1 tmtt? -33.84 121.32 0.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 92.0 p -161.44 132.76 5.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 159.83 -168.79 35.67 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.49 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 86' ' ' SER . 53.4 Cg_endo -69.77 153.56 68.75 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.701 2.268 . . . . 0.0 112.336 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 85' ' ' PRO . 23.1 p -37.63 -56.16 1.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.876 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 47.0 t -121.09 141.54 50.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.828 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 CA-C-O 119.132 -0.815 . . . . 0.0 112.484 179.985 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.8 t -110.01 139.28 45.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.948 0.404 . . . . 0.0 110.832 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.3 p -55.86 -55.18 35.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.898 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.25 -135.48 24.05 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.516 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.4 t 53.18 42.79 32.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.837 0.351 . . . . 0.0 110.837 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.4 m -107.42 99.25 8.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.864 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.07 140.42 13.57 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.495 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 22.3 p-10 -96.96 171.41 8.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.857 0.36 . . . . 0.0 110.926 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -147.05 166.04 28.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -122.85 108.78 13.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -116.76 -54.29 2.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.137 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.1 mp -63.17 164.9 7.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.1 ptt-85 -99.05 -25.71 14.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -67.6 161.42 25.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 17' ' ' GLU . 33.8 m -107.02 35.03 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.154 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.48 ' O ' ' CD2' ' A' ' 25' ' ' PHE . 23.2 mt -41.46 -24.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.939 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 15' ' ' VAL . 4.2 mt-10 -106.0 135.61 47.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.454 ' O ' ' HA ' ' A' ' 22' ' ' MET . 53.8 t -51.53 136.66 32.78 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.611 0.719 . . . . 0.0 110.94 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.405 ' HD2' ' SG ' ' A' ' 18' ' ' CYS . 53.8 Cg_endo -69.81 0.41 5.72 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.677 2.251 . . . . 0.0 112.305 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.508 HD12 ' HB3' ' A' ' 45' ' ' CYS . 16.5 mt -114.3 -74.35 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.097 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.403 ' SG ' ' HB3' ' A' ' 18' ' ' CYS . 8.6 p -74.81 -25.84 59.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.867 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.454 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 3.9 mmt 63.08 45.53 5.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.432 ' HB3' ' CD1' ' A' ' 30' ' ' LEU . 23.4 mm-40 -114.66 126.33 54.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.713 ' O ' HG23 ' A' ' 26' ' ' THR . 31.8 p -37.13 103.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.89 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.557 ' CD2' HG11 ' A' ' 80' ' ' VAL . 17.0 m-85 -39.77 99.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.865 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.713 HG23 ' O ' ' A' ' 24' ' ' SER . 58.7 p -97.07 131.34 43.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.13 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -72.64 -18.11 61.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -70.21 -53.11 18.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -122.79 -70.62 0.77 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.432 ' CD1' ' HB3' ' A' ' 23' ' ' GLU . 34.0 mt -68.78 70.91 0.2 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 30.8 mtm105 -73.55 122.33 87.34 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.61 0.719 . . . . 0.0 110.895 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.533 ' HB3' ' CG ' ' A' ' 25' ' ' PHE . 53.9 Cg_endo -69.83 123.63 10.27 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.653 2.236 . . . . 0.0 112.351 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.463 ' HB3' HD11 ' A' ' 74' ' ' LEU . 0.4 OUTLIER -123.93 143.53 50.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 179.918 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.688 HD11 ' O ' ' A' ' 38' ' ' GLY . 6.7 tp -103.04 132.64 49.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.593 HD21 ' CD1' ' A' ' 46' ' ' LEU . 75.3 mt -88.22 162.84 16.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.826 ' CD2' HG23 ' A' ' 66' ' ' THR . 21.3 m170 -61.93 -7.47 3.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.832 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.401 ' SG ' ' HB2' ' A' ' 35' ' ' LEU . 26.6 p -89.28 -48.34 7.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.688 ' O ' HD11 ' A' ' 34' ' ' LEU . . . 142.31 -25.9 2.32 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.468 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.467 ' O ' HD12 ' A' ' 34' ' ' LEU . 30.2 m170 -69.28 146.84 51.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.855 0.359 . . . . 0.0 110.869 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.575 HG21 ' OD1' ' A' ' 77' ' ' ASN . 98.6 m -109.93 125.72 53.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.175 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.481 ' CG2' ' HB2' ' A' ' 45' ' ' CYS . 56.0 mt -134.38 150.91 31.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.089 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.461 ' SG ' ' HB3' ' A' ' 44' ' ' GLN . 19.3 p -74.84 145.51 42.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.891 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.4 ' HG3' ' N ' ' A' ' 44' ' ' GLN . 0.5 OUTLIER -47.07 -37.03 8.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.906 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.461 ' HB3' ' SG ' ' A' ' 42' ' ' CYS . 17.1 tt0 -53.41 -58.45 7.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.508 ' HB3' HD12 ' A' ' 20' ' ' ILE . 95.8 m -65.29 -42.19 93.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.767 HD21 HD21 ' A' ' 74' ' ' LEU . 5.2 tp -62.34 -28.64 69.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.91 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.874 ' OE2' HD11 ' A' ' 71' ' ' LEU . 5.3 mm-40 -69.67 -47.35 63.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -53.51 -34.69 59.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.853 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.438 ' CD1' ' HD3' ' A' ' 60' ' ' PRO . 95.1 mt -80.35 -54.22 5.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.906 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.495 HD13 HD23 ' A' ' 71' ' ' LEU . 1.4 tt -52.52 -43.86 65.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.941 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -37.89 -66.04 0.28 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.111 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.7 t -69.86 -47.71 61.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.2 m -50.89 140.89 14.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.835 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 15.6 tt -128.83 -30.09 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.161 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -103.18 22.25 14.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.415 ' HA3' HG23 ' A' ' 65' ' ' ILE . . . 125.71 150.87 7.8 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.465 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.407 HG21 HD12 ' A' ' 50' ' ' LEU . 57.2 t -80.51 119.97 31.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.843 0.354 . . . . 0.0 111.093 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 41.3 ttt-85 -85.27 116.48 23.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.85 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.437 ' O ' ' HA ' ' A' ' 63' ' ' SER . 53.2 t -64.23 128.95 93.77 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.583 0.706 . . . . 0.0 110.917 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.438 ' HD3' ' CD1' ' A' ' 49' ' ' LEU . 53.7 Cg_endo -69.73 3.25 2.87 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.663 2.242 . . . . 0.0 112.327 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -115.59 -63.36 1.46 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.855 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 31.7 p -100.27 -12.5 19.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.437 ' HA ' ' O ' ' A' ' 59' ' ' CYS . 89.5 p 51.65 47.04 25.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.468 ' O ' ' C ' ' A' ' 65' ' ' ILE . 26.1 mtpt -100.12 87.82 3.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.892 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.468 ' C ' ' O ' ' A' ' 64' ' ' LYS . 44.4 mm -32.15 123.95 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.116 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.826 HG23 ' CD2' ' A' ' 36' ' ' HIS . 17.9 m -83.4 -29.02 28.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.124 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 8.5 mmt180 63.75 53.99 1.89 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.589 ' CD1' HD23 ' A' ' 74' ' ' LEU . 1.5 pt -123.3 156.86 29.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.105 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 12.3 t -122.62 31.69 6.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.092 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.407 ' C ' ' N ' ' A' ' 72' ' ' THR . 1.4 t -175.54 128.33 0.26 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.856 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.874 HD11 ' OE2' ' A' ' 47' ' ' GLU . 46.2 mt -43.68 -22.95 0.06 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.933 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.425 ' O ' ' C ' ' A' ' 73' ' ' GLN . 9.0 t -90.6 -38.13 13.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.177 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.472 ' HB3' HG22 ' A' ' 68' ' ' ILE . 11.6 mm100 -35.65 -59.85 0.54 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.767 HD21 HD21 ' A' ' 46' ' ' LEU . 1.9 pp -50.86 -175.35 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.916 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.427 HG22 ' N ' ' A' ' 76' ' ' ASP . 88.1 m -79.81 154.77 28.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.161 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.427 ' N ' HG22 ' A' ' 75' ' ' THR . 2.8 m-20 -98.29 154.75 17.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.879 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.695 ' OD1' HG13 ' A' ' 80' ' ' VAL . 27.9 t-20 -127.8 59.72 1.46 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.776 HD13 ' H ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -72.49 2.42 6.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.952 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.433 ' N ' HD22 ' A' ' 78' ' ' LEU . 15.3 t -67.61 -36.03 80.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.208 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.695 HG13 ' OD1' ' A' ' 77' ' ' ASN . 34.1 m -68.37 -33.4 60.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.118 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 14.1 mt -75.63 -36.54 60.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.906 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 12.6 tmtt? -83.93 125.36 31.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 28.0 t -136.93 123.86 21.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -142.64 142.76 11.87 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.46 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -1.43 8.41 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.688 2.259 . . . . 0.0 112.373 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 21.6 m -144.56 151.02 38.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.858 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 36.7 m -86.72 85.57 7.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.895 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.258 0 CA-C-O 119.127 -0.818 . . . . 0.0 112.459 -179.964 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.7 p -155.46 176.71 12.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.847 0.356 . . . . 0.0 110.869 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.0 p -153.28 169.91 21.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.871 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.75 110.75 2.84 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.537 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.0 t -166.86 158.35 12.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.881 0.372 . . . . 0.0 110.857 -179.7 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 m -123.25 166.91 14.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.829 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.42 178.19 35.31 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.479 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -158.16 117.24 3.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.824 0.345 . . . . 0.0 110.85 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.439 ' O ' ' CG ' ' A' ' 10' ' ' ASP . 9.2 tp -125.81 159.79 31.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.927 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.439 ' CG ' ' O ' ' A' ' 9' ' ' LEU . 6.9 m-20 -162.39 122.89 2.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -88.39 15.76 7.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.3 mp -61.86 176.85 0.49 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.8 ptt180 -86.24 -31.84 21.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -58.21 167.4 1.32 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 32.7 m -102.41 38.53 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.175 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.419 ' O ' ' CD2' ' A' ' 25' ' ' PHE . 16.6 mt -43.88 -27.72 0.38 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -104.19 157.44 17.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.926 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.433 ' O ' ' HA ' ' A' ' 22' ' ' MET . 54.1 t -69.62 135.38 88.24 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.66 0.743 . . . . 0.0 110.864 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.501 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 53.1 Cg_endo -69.81 0.67 5.35 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.698 2.265 . . . . 0.0 112.304 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.543 HD12 ' HB3' ' A' ' 45' ' ' CYS . 35.2 mt -112.1 -73.92 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.149 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 6.5 p -75.77 -28.69 58.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.859 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.433 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 82.2 mmm 69.08 45.13 0.93 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -116.59 124.03 48.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.702 ' O ' HG23 ' A' ' 26' ' ' THR . 58.4 p -39.66 105.19 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.823 -179.766 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.559 ' CD2' HG21 ' A' ' 80' ' ' VAL . 22.3 m-85 -35.79 98.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.872 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.702 HG23 ' O ' ' A' ' 24' ' ' SER . 30.6 p -97.11 98.21 9.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.165 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 26' ' ' THR . 2.2 tt0 -37.11 -39.44 0.25 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.924 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -46.66 -61.54 1.79 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.837 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -116.23 -73.01 0.66 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.943 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.8 mt -66.35 83.6 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.93 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 20.6 mtt85 -84.3 128.62 61.31 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.569 0.7 . . . . 0.0 110.915 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.534 ' HB3' HG21 ' A' ' 80' ' ' VAL . 53.8 Cg_endo -69.72 115.28 4.01 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.718 2.279 . . . . 0.0 112.363 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.474 ' CB ' HD22 ' A' ' 46' ' ' LEU . 14.0 mmmt -115.62 133.29 56.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.934 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.636 HD11 ' O ' ' A' ' 38' ' ' GLY . 5.9 tp -96.03 131.92 41.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 93.3 mt -88.57 162.09 16.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.446 ' CG ' HG23 ' A' ' 66' ' ' THR . 23.8 m170 -62.96 -6.98 4.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 27.9 p -89.36 -46.99 8.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.636 ' O ' HD11 ' A' ' 34' ' ' LEU . . . 142.59 -29.14 2.15 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.487 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.405 ' O ' HD12 ' A' ' 34' ' ' LEU . 31.0 m170 -67.58 145.8 54.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.888 0.375 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.454 ' OG1' HD13 ' A' ' 34' ' ' LEU . 67.2 m -108.11 127.78 54.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.485 HG22 ' HB2' ' A' ' 45' ' ' CYS . 26.6 mt -133.57 149.38 30.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.473 ' SG ' ' HB3' ' A' ' 44' ' ' GLN . 15.6 p -71.76 149.89 44.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.43 ' HG3' ' N ' ' A' ' 44' ' ' GLN . 4.7 ppt_? -51.97 -36.87 51.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.473 ' HB3' ' SG ' ' A' ' 42' ' ' CYS . 8.9 tt0 -54.02 -47.69 71.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.543 ' HB3' HD12 ' A' ' 20' ' ' ILE . 84.3 m -80.09 -37.72 33.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.743 HD21 HD21 ' A' ' 74' ' ' LEU . 11.4 tp -62.65 -33.68 75.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.946 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.971 ' OE2' HD11 ' A' ' 71' ' ' LEU . 5.9 mm-40 -69.02 -53.19 21.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.31 -32.24 47.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.941 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 89.4 mt -80.61 -42.46 22.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.915 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.439 ' HA ' HG22 ' A' ' 57' ' ' VAL . 1.9 tt -62.52 -40.11 95.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.937 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.0 -51.21 62.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.176 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.9 t -54.63 -59.44 4.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.816 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 m -62.96 173.6 1.33 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 16.4 tt -132.81 -32.29 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.12 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.5 ' O ' ' CG2' ' A' ' 65' ' ' ILE . 74.3 m-20 -106.71 42.31 1.31 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 118.45 -167.38 12.99 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.503 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.439 HG22 ' HA ' ' A' ' 50' ' ' LEU . 46.2 t -113.58 113.81 45.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.858 0.361 . . . . 0.0 111.151 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 27.6 ttm180 -78.84 113.21 16.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.408 ' O ' ' HA ' ' A' ' 63' ' ' SER . 30.2 t -74.6 122.6 87.87 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.643 0.735 . . . . 0.0 110.894 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 2.22 3.7 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.703 2.269 . . . . 0.0 112.365 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.501 ' CZ ' ' HB2' ' A' ' 19' ' ' PRO . 26.9 m-85 -104.37 -56.33 2.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.841 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 22.1 p -105.98 -26.62 11.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.886 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.408 ' HA ' ' O ' ' A' ' 59' ' ' CYS . 6.3 t 72.57 44.67 0.38 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.882 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 65' ' ' ILE . 50.3 mttt -106.83 90.87 3.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.868 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.5 ' CG2' ' O ' ' A' ' 55' ' ' ASN . 44.5 mm -36.7 121.94 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.13 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.446 HG23 ' CG ' ' A' ' 36' ' ' HIS . 1.5 m -98.16 83.01 3.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.146 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -59.88 83.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.584 HD13 ' HB3' ' A' ' 74' ' ' LEU . 0.8 OUTLIER -130.51 -40.15 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.157 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 54.27 32.5 16.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.155 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.505 ' HB3' ' CG ' ' A' ' 73' ' ' GLN . 0.5 OUTLIER -172.84 125.74 0.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.84 -179.848 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.971 HD11 ' OE2' ' A' ' 47' ' ' GLU . 43.1 mt -52.23 -36.84 53.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.942 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 10.0 t -78.64 -39.01 38.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.136 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.505 ' CG ' ' HB3' ' A' ' 70' ' ' SER . 5.2 mm100 -42.61 -63.44 0.78 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.743 HD21 HD21 ' A' ' 46' ' ' LEU . 0.8 OUTLIER -50.99 179.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.953 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.446 ' O ' ' N ' ' A' ' 34' ' ' LEU . 23.1 m -83.84 133.93 34.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.164 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -81.93 151.04 27.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.906 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.515 ' OD1' HG13 ' A' ' 80' ' ' VAL . 24.9 t-20 -117.57 67.28 0.74 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.762 HD13 ' H ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -79.34 11.85 2.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.507 HG22 ' ND2' ' A' ' 77' ' ' ASN . 13.0 t -79.11 -29.75 43.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.174 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.559 HG21 ' CD2' ' A' ' 25' ' ' PHE . 17.3 m -73.33 -25.55 21.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.126 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.405 ' O ' ' C ' ' A' ' 82' ' ' LYS . 20.2 mt -88.69 -30.3 19.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.906 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 81' ' ' LEU . 3.0 tppp? -37.87 -57.72 0.99 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 17.9 t -175.17 154.94 1.85 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.854 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -93.52 -117.48 2.69 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.497 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 179.72 3.52 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.674 2.249 . . . . 0.0 112.324 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 98.8 p 43.8 41.23 3.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 93.8 p -86.85 -51.92 5.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.864 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 CA-C-O 119.085 -0.842 . . . . 0.0 112.462 179.962 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.6 t -128.39 107.55 9.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.906 0.384 . . . . 0.0 110.852 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.6 m -139.55 133.31 30.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.887 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.21 147.61 6.39 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.469 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.7 p -99.68 110.98 23.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.864 0.364 . . . . 0.0 110.862 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.7 t -105.22 158.38 16.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.834 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.99 132.5 1.46 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.476 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -110.4 90.83 3.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.861 0.363 . . . . 0.0 110.887 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.5 tp -138.83 158.23 44.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -141.01 119.15 11.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -87.73 15.27 7.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.113 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.9 mp -92.44 154.04 18.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.402 ' HB2' ' NH1' ' A' ' 13' ' ' ARG . 0.9 OUTLIER -106.1 39.14 1.86 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -126.26 161.0 28.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 31.6 m -102.51 36.0 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.118 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 24.1 mt -43.87 -23.75 0.1 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -108.81 159.44 16.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.479 ' O ' ' HA ' ' A' ' 22' ' ' MET . 54.0 t -72.71 135.03 81.21 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.606 0.717 . . . . 0.0 110.875 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.433 ' C ' ' HE2' ' A' ' 22' ' ' MET . 54.0 Cg_endo -69.7 1.06 4.73 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.712 2.274 . . . . 0.0 112.357 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.409 HD12 ' HB3' ' A' ' 45' ' ' CYS . 36.7 mt -112.48 -74.75 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.157 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 7.0 p -74.32 -23.84 59.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.479 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 6.0 mmt 67.81 49.28 0.95 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.453 ' HB3' HD13 ' A' ' 30' ' ' LEU . 9.7 mm-40 -123.07 140.88 52.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.894 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -51.9 137.06 27.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.6 ' CD2' HG11 ' A' ' 80' ' ' VAL . 22.4 m-85 -76.55 102.46 6.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -117.67 142.6 47.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.114 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.412 ' CD ' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -83.62 34.73 0.49 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -122.77 -45.38 2.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.882 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -128.09 -46.91 1.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.453 HD13 ' HB3' ' A' ' 23' ' ' GLU . 5.4 mt -113.65 89.76 3.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.885 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 23.5 mtp85 -82.21 130.02 61.45 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.575 0.702 . . . . 0.0 110.895 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.614 ' HB3' HG21 ' A' ' 80' ' ' VAL . 53.7 Cg_endo -69.72 129.36 17.5 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.679 2.253 . . . . 0.0 112.341 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.502 ' HE3' HD11 ' A' ' 74' ' ' LEU . 17.6 mmmt -130.93 133.32 45.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.847 HD11 ' O ' ' A' ' 38' ' ' GLY . 6.8 tp -100.72 129.89 46.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.865 HD21 HD11 ' A' ' 46' ' ' LEU . 91.1 mt -85.3 162.48 19.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.431 ' ND1' HG23 ' A' ' 66' ' ' THR . 0.3 OUTLIER -58.62 -10.26 2.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.848 179.881 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.445 ' CB ' ' SG ' ' A' ' 62' ' ' CYS . 27.6 p -88.62 -47.1 8.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.902 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.847 ' O ' HD11 ' A' ' 34' ' ' LEU . . . 140.88 -28.11 2.41 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.526 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.458 ' CE1' ' HB3' ' A' ' 61' ' ' PHE . 28.6 m170 -63.02 143.08 58.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.92 0.39 . . . . 0.0 110.829 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.507 ' OG1' HD13 ' A' ' 34' ' ' LEU . 89.3 m -106.28 123.4 47.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.151 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.583 HG22 ' HB2' ' A' ' 45' ' ' CYS . 8.1 mt -131.82 146.82 32.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.127 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.443 ' SG ' ' HB3' ' A' ' 44' ' ' GLN . 17.0 p -71.07 137.4 48.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.891 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.405 ' HD2' ' C ' ' A' ' 43' ' ' ARG . 0.7 OUTLIER -42.75 -32.99 0.66 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.93 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.443 ' HB3' ' SG ' ' A' ' 42' ' ' CYS . 5.5 tt0 -58.43 -47.22 84.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.583 ' HB2' HG22 ' A' ' 41' ' ' ILE . 55.4 m -75.9 -38.4 57.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.842 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.865 HD11 HD21 ' A' ' 35' ' ' LEU . 5.5 tp -63.86 -40.64 97.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.423 ' CD ' HD11 ' A' ' 71' ' ' LEU . 4.3 mm-40 -56.79 -49.7 74.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.404 ' HD3' ' O ' ' A' ' 44' ' ' GLN . 1.1 mptm? -52.33 -36.82 54.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.401 ' CB ' HG13 ' A' ' 57' ' ' VAL . 80.2 mt -76.87 -51.91 10.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.457 ' HA ' HG22 ' A' ' 57' ' ' VAL . 4.0 tt -52.68 -40.36 62.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.8 -66.44 0.38 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.087 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.8 m -53.62 -66.53 0.38 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 17.2 m -54.55 162.34 1.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.822 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.425 HG23 ' N ' ' A' ' 55' ' ' ASN . 13.3 tt -129.06 -41.37 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.138 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.471 ' O ' ' CG2' ' A' ' 65' ' ' ILE . 62.8 m-20 -90.72 40.67 1.03 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 120.79 -167.88 13.96 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.472 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.457 HG22 ' HA ' ' A' ' 50' ' ' LEU . 60.0 t -120.44 112.84 38.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.836 0.351 . . . . 0.0 111.143 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -72.72 119.86 17.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.412 ' O ' ' HA ' ' A' ' 63' ' ' SER . 49.5 t -79.54 125.94 81.76 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.627 0.727 . . . . 0.0 110.906 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 2.76 3.25 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.664 2.243 . . . . 0.0 112.376 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.458 ' HB3' ' CE1' ' A' ' 39' ' ' HIS . 27.9 m-85 -106.45 -62.52 1.38 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.445 ' SG ' ' CB ' ' A' ' 37' ' ' CYS . 25.5 p -104.24 -21.44 13.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.412 ' HA ' ' O ' ' A' ' 59' ' ' CYS . 19.4 m 67.49 49.53 1.0 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.477 ' O ' ' C ' ' A' ' 65' ' ' ILE . 61.1 mttt -105.37 87.54 2.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.852 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.477 ' C ' ' O ' ' A' ' 64' ' ' LYS . 48.7 mm -31.81 120.15 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.125 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.503 ' OG1' HD22 ' A' ' 35' ' ' LEU . 4.3 m -98.77 88.42 4.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.447 ' O ' HG23 ' A' ' 68' ' ' ILE . 2.7 mpt_? -57.32 92.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.865 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.983 HD13 ' HB3' ' A' ' 74' ' ' LEU . 3.0 pt -156.07 108.49 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.152 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.607 HG22 ' OE1' ' A' ' 73' ' ' GLN . 9.4 t -67.54 -25.92 66.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.104 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.2 t -113.83 163.08 15.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.482 ' CD2' HD23 ' A' ' 46' ' ' LEU . 47.1 mt -76.74 -26.87 55.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.952 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 8.8 t -84.58 -21.56 30.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.127 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.607 ' OE1' HG22 ' A' ' 69' ' ' THR . 7.3 mt-30 -53.77 -50.49 65.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.983 ' HB3' HD13 ' A' ' 68' ' ' ILE . 0.6 OUTLIER -56.76 -174.86 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.408 ' O ' ' N ' ' A' ' 34' ' ' LEU . 91.1 m -83.72 124.81 31.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.157 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -72.87 152.91 41.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.877 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.75 ' OD1' HD22 ' A' ' 34' ' ' LEU . 6.3 t30 -130.47 64.47 1.55 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.758 HD13 ' H ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -75.04 -9.95 59.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.93 179.923 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.544 ' N ' HD22 ' A' ' 78' ' ' LEU . 10.0 t -51.09 -45.78 61.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.183 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.614 HG21 ' HB3' ' A' ' 32' ' ' PRO . 19.0 m -61.19 -33.32 55.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.661 HD12 ' HA ' ' A' ' 78' ' ' LEU . 7.6 mt -73.27 -37.04 66.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 15.3 tptp -64.3 138.15 58.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.8 m -115.17 135.06 54.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 152.48 146.84 4.45 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.482 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 -47.52 0.93 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.709 2.273 . . . . 0.0 112.388 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 7.2 t -113.17 98.04 6.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 31.3 t -70.27 125.18 26.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 CA-C-O 119.123 -0.821 . . . . 0.0 112.461 179.997 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 m -138.42 161.06 37.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.88 0.371 . . . . 0.0 110.867 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 t -154.52 156.75 37.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.69 115.19 0.32 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.513 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.1 p -121.75 164.14 17.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.835 0.35 . . . . 0.0 110.894 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.2 t -64.85 96.1 0.17 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.02 73.67 0.21 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.487 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.47 ' ND2' ' O ' ' A' ' 8' ' ' ASN . 0.7 OUTLIER -167.28 111.71 0.71 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.835 0.35 . . . . 0.0 110.871 -179.876 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.467 ' HG ' ' N ' ' A' ' 10' ' ' ASP . 6.8 tp -49.7 150.18 2.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.467 ' N ' ' HG ' ' A' ' 9' ' ' LEU . 2.0 m-20 -110.71 102.84 11.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 179.82 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -118.7 -31.44 4.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.082 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -54.75 150.1 10.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.9 ptm180 -101.44 -22.01 14.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -69.17 163.12 25.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' A' ' 17' ' ' GLU . 34.6 m -100.34 35.11 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.163 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.6 mt -40.32 -26.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.919 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 15' ' ' VAL . 10.8 mt-10 -105.77 147.28 28.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.444 ' O ' ' HA ' ' A' ' 22' ' ' MET . 51.7 t -67.82 135.82 92.29 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.621 0.724 . . . . 0.0 110.867 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.542 ' HA ' ' HE1' ' A' ' 22' ' ' MET . 53.9 Cg_endo -69.77 1.3 4.56 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.672 2.248 . . . . 0.0 112.321 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 37.4 mt -114.94 -74.81 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.171 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.413 ' SG ' ' HB3' ' A' ' 18' ' ' CYS . 14.6 p -73.97 -25.32 59.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.902 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.542 ' HE1' ' HA ' ' A' ' 19' ' ' PRO . 12.6 mmt 64.17 46.73 3.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.402 ' CB ' HD13 ' A' ' 30' ' ' LEU . 24.6 mt-10 -119.21 123.08 43.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.904 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 19.8 m -43.35 109.58 0.15 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.5 ' CD2' HG21 ' A' ' 80' ' ' VAL . 35.1 m-85 -44.77 118.77 1.71 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.879 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.428 ' O ' HD21 ' A' ' 81' ' ' LEU . 1.3 p -94.33 -174.63 3.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.118 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -78.65 -36.8 43.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.463 ' O ' ' C ' ' A' ' 29' ' ' GLN . 6.3 mp0 -130.94 -61.13 0.95 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.463 ' C ' ' O ' ' A' ' 28' ' ' GLU . 29.0 tp60 -32.01 -61.03 0.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.944 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.455 HD21 ' OE1' ' A' ' 44' ' ' GLN . 9.7 mt -129.65 80.62 1.97 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.8 mmt180 -72.63 131.62 84.24 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.629 0.728 . . . . 0.0 110.885 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.61 ' HB3' HG21 ' A' ' 80' ' ' VAL . 53.4 Cg_endo -69.74 138.46 37.93 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.756 2.304 . . . . 0.0 112.322 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.572 ' HE3' HD11 ' A' ' 74' ' ' LEU . 20.2 mmmt -134.52 134.88 41.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.884 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.725 HD11 ' O ' ' A' ' 38' ' ' GLY . 7.4 tp -105.1 126.18 51.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.936 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.683 HD21 ' CD1' ' A' ' 46' ' ' LEU . 93.5 mt -82.81 162.53 21.64 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.559 ' CD2' HG23 ' A' ' 66' ' ' THR . 14.9 m170 -61.25 -7.62 3.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.463 ' CB ' ' SG ' ' A' ' 62' ' ' CYS . 30.2 p -89.66 -46.63 8.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.725 ' O ' HD11 ' A' ' 34' ' ' LEU . . . 142.52 -30.98 2.06 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.491 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.482 ' O ' HD12 ' A' ' 34' ' ' LEU . 28.1 m170 -61.85 145.83 51.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.892 0.377 . . . . 0.0 110.882 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.536 ' OG1' HD13 ' A' ' 34' ' ' LEU . 86.1 m -109.61 122.71 48.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.136 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.532 HG22 ' HB2' ' A' ' 45' ' ' CYS . 13.8 mt -131.91 147.18 32.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.16 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.448 ' SG ' ' HB3' ' A' ' 44' ' ' GLN . 19.5 p -71.77 143.17 49.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.921 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 5.2 ppt_? -46.12 -35.62 5.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.455 ' OE1' HD21 ' A' ' 30' ' ' LEU . 16.1 tt0 -54.62 -52.92 60.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.912 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.532 ' HB2' HG22 ' A' ' 41' ' ' ILE . 68.8 m -70.4 -44.54 67.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.687 HD23 HD22 ' A' ' 71' ' ' LEU . 4.8 tp -58.3 -38.85 77.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.492 ' OE2' HD11 ' A' ' 71' ' ' LEU . 4.2 mm-40 -59.46 -54.14 50.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.16 -38.48 5.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.913 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.651 HD13 ' O ' ' A' ' 58' ' ' ARG . 71.0 mt -78.64 -56.9 4.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.64 ' HA ' HG22 ' A' ' 57' ' ' VAL . 2.6 tt -45.96 -30.34 1.75 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.945 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -75.66 -35.47 60.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.124 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.4 m -115.1 38.71 3.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.883 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.2 t -116.38 -176.14 2.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 14.7 tt -145.23 138.14 21.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.157 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.987 ' ND2' HG21 ' A' ' 65' ' ' ILE . 1.1 p-10 45.92 29.39 0.73 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 141.66 -161.35 27.04 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.492 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.64 HG22 ' HA ' ' A' ' 50' ' ' LEU . 83.4 t -123.82 103.71 13.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.887 0.375 . . . . 0.0 111.15 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.651 ' O ' HD13 ' A' ' 49' ' ' LEU . 23.2 ttt180 -61.75 135.55 57.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.865 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.453 ' O ' ' HA ' ' A' ' 63' ' ' SER . 49.7 t -89.25 130.91 42.33 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.689 0.756 . . . . 0.0 110.868 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 3.6 2.68 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.683 2.255 . . . . 0.0 112.338 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.447 ' CZ ' ' HB2' ' A' ' 19' ' ' PRO . 35.6 m-85 -115.23 -67.39 1.0 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.463 ' SG ' ' CB ' ' A' ' 37' ' ' CYS . 27.3 p -96.44 -15.38 21.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.453 ' HA ' ' O ' ' A' ' 59' ' ' CYS . 18.1 p 59.25 43.93 16.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.895 -179.789 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.5 ' O ' ' C ' ' A' ' 65' ' ' ILE . 8.1 mtpm? -97.49 86.77 3.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.987 HG21 ' ND2' ' A' ' 55' ' ' ASN . 42.8 mm -29.97 120.38 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.137 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.559 HG23 ' CD2' ' A' ' 36' ' ' HIS . 2.2 m -98.0 85.71 3.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.101 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.17 91.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.483 HD13 ' CG ' ' A' ' 74' ' ' LEU . 1.4 pt -154.65 111.83 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.116 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.6 t -68.04 -29.26 68.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.155 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -115.05 158.52 21.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.855 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.687 HD22 HD23 ' A' ' 46' ' ' LEU . 86.5 mt -68.33 -32.3 72.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.926 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 14.7 t -78.62 -28.23 45.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.188 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.418 ' HB3' HG22 ' A' ' 68' ' ' ILE . 6.9 mm100 -45.15 -56.06 5.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.941 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.572 HD11 ' HE3' ' A' ' 33' ' ' LYS . 1.0 OUTLIER -55.22 -174.25 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.43 ' O ' ' N ' ' A' ' 34' ' ' LEU . 94.5 m -82.84 125.3 31.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -76.88 152.09 35.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.408 ' OD1' HG22 ' A' ' 80' ' ' VAL . 25.3 t-20 -122.86 66.8 0.96 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.873 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.676 HD13 ' H ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -80.97 14.27 2.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.944 179.92 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.9 t -82.42 -27.94 31.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.61 HG21 ' HB3' ' A' ' 32' ' ' PRO . 16.0 m -76.77 -30.35 18.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.088 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.428 HD21 ' O ' ' A' ' 26' ' ' THR . 95.7 mt -71.75 -40.1 69.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.933 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 14.1 mmtp -81.32 149.12 29.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 58.3 m -91.12 40.47 1.03 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.845 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 145.53 163.79 10.4 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.471 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 145.12 56.11 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.71 2.274 . . . . 0.0 112.358 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 13.5 t -51.99 160.0 0.79 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.911 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 27.6 p -130.67 -31.52 1.77 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 CA-C-O 119.135 -0.814 . . . . 0.0 112.474 179.992 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.7 p -154.83 172.47 17.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.918 0.39 . . . . 0.0 110.84 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.9 p -140.98 148.34 40.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.873 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.2 178.0 27.76 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.498 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 t -172.77 111.05 0.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.9 0.381 . . . . 0.0 110.86 -179.731 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.2 m -64.08 90.01 0.06 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.853 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.75 84.1 0.14 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.508 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -157.36 131.88 8.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.871 0.367 . . . . 0.0 110.899 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.777 HD23 ' N ' ' A' ' 10' ' ' ASP . 9.6 tt -171.62 161.07 6.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.948 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.777 ' N ' HD23 ' A' ' 9' ' ' LEU . 13.3 t0 -148.6 124.71 10.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.88 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -97.29 -31.61 12.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.075 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -65.29 174.73 1.96 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.897 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.9 ptp85 -89.67 -27.03 20.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -63.99 156.12 28.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.2 m -99.3 43.27 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.163 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 14.5 mt -50.83 -26.85 6.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -109.05 149.14 29.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.461 ' SG ' HG23 ' A' ' 41' ' ' ILE . 52.9 t -62.35 135.22 95.14 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.599 0.714 . . . . 0.0 110.868 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.472 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 53.8 Cg_endo -69.77 -0.75 7.38 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.703 2.268 . . . . 0.0 112.366 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.477 HD11 HD13 ' A' ' 41' ' ' ILE . 54.4 mt -112.26 -74.51 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.403 ' SG ' ' HB3' ' A' ' 18' ' ' CYS . 13.0 p -74.59 -29.22 61.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.442 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 17.0 mmt 67.51 47.08 1.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 24' ' ' SER . 16.9 mt-10 -119.9 122.0 40.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.93 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 23' ' ' GLU . 6.2 m -34.67 133.3 0.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.786 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.508 ' CG ' ' HB3' ' A' ' 32' ' ' PRO . 35.5 m-85 -72.85 106.64 4.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.903 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.0 t -112.71 141.92 45.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.154 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.724 ' CD ' HD13 ' A' ' 81' ' ' LEU . 8.2 mt-10 -84.95 42.14 0.91 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -131.92 -43.26 0.99 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -130.83 -54.19 1.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.415 HD11 ' OE1' ' A' ' 23' ' ' GLU . 14.2 mt -99.66 97.3 8.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.1 mmm180 -92.31 130.39 37.8 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.596 0.713 . . . . 0.0 110.835 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.646 ' HB3' HG21 ' A' ' 80' ' ' VAL . 53.4 Cg_endo -69.79 125.36 12.05 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.723 2.282 . . . . 0.0 112.318 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.585 ' HE3' HD11 ' A' ' 74' ' ' LEU . 19.6 mmmt -124.8 135.84 53.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.923 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.739 HD11 ' O ' ' A' ' 38' ' ' GLY . 6.1 tp -101.23 135.6 42.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.603 HD21 ' CD1' ' A' ' 46' ' ' LEU . 71.5 mt -91.47 162.55 14.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.502 ' CE1' ' O ' ' A' ' 66' ' ' THR . 32.0 m170 -60.88 -9.49 4.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.829 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 28.1 p -89.86 -44.06 10.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.739 ' O ' HD11 ' A' ' 34' ' ' LEU . . . 139.2 -30.51 2.43 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.518 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.428 ' O ' HD12 ' A' ' 34' ' ' LEU . 26.5 m170 -61.15 142.85 56.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.852 0.358 . . . . 0.0 110.832 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.499 HG21 ' OD1' ' A' ' 77' ' ' ASN . 86.1 m -106.58 129.77 54.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.12 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.61 HD11 ' CE2' ' A' ' 61' ' ' PHE . 13.3 mt -139.1 150.15 23.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.158 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.427 ' SG ' ' HB3' ' A' ' 44' ' ' GLN . 17.0 p -73.49 144.05 46.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.403 ' HG3' ' N ' ' A' ' 44' ' ' GLN . 2.0 ppt_? -46.99 -37.84 9.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.841 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.427 ' HB3' ' SG ' ' A' ' 42' ' ' CYS . 9.3 tt0 -52.15 -53.75 39.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.468 ' HB2' ' CG2' ' A' ' 41' ' ' ILE . 74.0 m -70.55 -40.6 73.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.774 HD23 HD22 ' A' ' 71' ' ' LEU . 5.9 tp -62.78 -30.15 71.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.531 ' CD ' HD11 ' A' ' 71' ' ' LEU . 4.8 mm-40 -69.37 -50.57 44.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.16 -31.38 42.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 81.5 mt -80.04 -46.78 15.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.93 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.8 tt -60.82 -41.02 94.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.943 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.0 -62.21 1.86 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.146 179.748 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.8 t -59.6 -37.37 78.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.828 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 24.6 p -58.01 -174.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.859 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.596 HG23 ' N ' ' A' ' 55' ' ' ASN . 1.4 tp -115.52 -53.69 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.113 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.596 ' N ' HG23 ' A' ' 54' ' ' ILE . 20.7 p30 -134.81 -37.03 0.83 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.818 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.428 ' HA3' ' CG2' ' A' ' 65' ' ' ILE . . . -114.77 154.86 16.72 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.507 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 54.2 t -96.71 120.61 46.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.821 0.344 . . . . 0.0 111.184 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 56.3 ttm-85 -83.27 115.14 21.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.48 ' SG ' HD12 ' A' ' 35' ' ' LEU . 14.3 t -74.77 119.41 76.62 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.627 0.727 . . . . 0.0 110.891 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 4.14 2.39 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.722 2.281 . . . . 0.0 112.309 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.61 ' CE2' HD11 ' A' ' 41' ' ' ILE . 25.4 m-85 -103.42 -53.56 2.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.848 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 20.5 p -108.55 -15.28 14.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 59' ' ' CYS . 4.5 p 67.4 35.84 4.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.824 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.3 mtpt -107.98 125.04 51.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.856 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.428 ' CG2' ' HA3' ' A' ' 56' ' ' GLY . 29.7 mm -69.47 125.73 28.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.129 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.502 ' O ' ' CE1' ' A' ' 36' ' ' HIS . 4.8 m -73.26 -32.87 64.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 8.2 mmm180 64.44 54.96 1.43 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.839 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.559 ' CD1' HD23 ' A' ' 74' ' ' LEU . 0.9 OUTLIER -127.53 134.16 66.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.158 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 8.8 t -98.88 26.54 5.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.161 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.558 ' OG ' HG22 ' A' ' 72' ' ' THR . 10.6 t -172.63 149.97 2.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.774 HD22 HD23 ' A' ' 46' ' ' LEU . 73.6 mt -64.12 -34.62 78.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.927 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.558 HG22 ' OG ' ' A' ' 70' ' ' SER . 10.0 t -80.78 -20.34 42.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.419 ' CD ' HG22 ' A' ' 68' ' ' ILE . 0.0 OUTLIER -55.91 -62.92 1.37 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.666 HD21 HD21 ' A' ' 46' ' ' LEU . 1.3 pp -50.24 -176.55 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 34.3 m -84.25 135.46 34.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.161 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -79.05 160.42 27.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.847 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.525 ' O ' HG22 ' A' ' 80' ' ' VAL . 28.8 t-20 -128.68 65.58 1.42 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.7 HD13 ' H ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -80.91 9.57 6.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.2 t -79.13 -18.99 52.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.646 HG21 ' HB3' ' A' ' 32' ' ' PRO . 11.7 m -82.27 -21.03 9.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.724 HD13 ' CD ' ' A' ' 27' ' ' GLU . 28.5 mt -83.55 -37.52 22.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.948 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -55.24 135.15 49.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.863 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 44.4 t -40.68 -49.53 3.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 85.35 125.05 1.45 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.47 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 142.29 47.38 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.706 2.27 . . . . 0.0 112.349 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 64.6 p -128.87 42.19 3.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 79.6 p -108.05 42.57 1.34 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.822 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 CA-C-O 119.116 -0.824 . . . . 0.0 112.442 179.962 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.9 p -173.04 175.97 3.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.861 0.362 . . . . 0.0 110.883 -179.732 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -170.89 160.38 6.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.846 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.45 -133.14 1.44 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.511 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.2 t 39.63 42.17 0.89 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.956 0.408 . . . . 0.0 110.89 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.0 t -49.53 105.36 0.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.877 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.79 111.93 2.75 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.504 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -98.05 113.57 25.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.906 0.384 . . . . 0.0 110.891 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -164.91 149.01 8.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -155.09 126.82 7.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.84 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.27 -60.01 2.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.14 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -57.66 174.5 0.23 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.6 ptp180 -117.6 39.98 3.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.831 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -125.08 170.55 11.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.901 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.468 ' O ' ' N ' ' A' ' 17' ' ' GLU . 33.9 m -101.67 31.83 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 39.2 mt -40.5 -24.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 15' ' ' VAL . 3.6 mt-10 -108.29 161.72 14.75 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.451 ' O ' ' HA ' ' A' ' 22' ' ' MET . 53.3 t -78.4 135.61 61.09 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.594 0.711 . . . . 0.0 110.908 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.575 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 53.9 Cg_endo -69.72 -0.71 7.27 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.73 2.287 . . . . 0.0 112.371 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.517 HD12 ' HB3' ' A' ' 45' ' ' CYS . 28.9 mt -110.73 -74.56 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.133 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.7 p -75.29 -31.06 60.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.451 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 33.8 mmm 74.94 46.16 0.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.477 ' HB3' HD13 ' A' ' 30' ' ' LEU . 25.0 mm-40 -118.89 131.95 56.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.928 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.2 t -50.2 129.52 21.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.845 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.526 ' CD2' HG11 ' A' ' 80' ' ' VAL . 26.4 m-85 -66.21 111.41 3.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.4 p -98.89 147.87 24.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -63.9 -29.62 70.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.859 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -81.43 -69.73 0.59 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.431 ' O ' ' C ' ' A' ' 30' ' ' LEU . 3.4 tt0 -105.23 -175.37 2.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.477 HD13 ' HB3' ' A' ' 23' ' ' GLU . 23.3 mt 35.02 39.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.959 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.72 134.54 27.16 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.594 0.712 . . . . 0.0 110.892 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.892 ' HB3' HG21 ' A' ' 80' ' ' VAL . 53.6 Cg_endo -69.77 133.16 24.89 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.694 2.263 . . . . 0.0 112.36 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.408 ' HE3' HD11 ' A' ' 74' ' ' LEU . 16.1 mmmt -135.2 135.69 41.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.861 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.615 HD11 ' O ' ' A' ' 38' ' ' GLY . 5.5 tp -105.42 135.46 46.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.941 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.616 HD21 ' CD1' ' A' ' 46' ' ' LEU . 71.7 mt -94.46 162.48 13.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.546 ' ND1' HG23 ' A' ' 66' ' ' THR . 0.8 OUTLIER -60.8 -8.42 3.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 179.863 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.504 ' CB ' ' SG ' ' A' ' 62' ' ' CYS . 29.8 p -89.61 -46.55 8.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.903 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.615 ' O ' HD11 ' A' ' 34' ' ' LEU . . . 141.17 -30.49 2.24 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.519 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.433 ' O ' HD12 ' A' ' 34' ' ' LEU . 29.3 m170 -62.92 147.02 51.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.869 0.366 . . . . 0.0 110.819 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.482 ' OG1' HD13 ' A' ' 34' ' ' LEU . 24.2 m -113.65 117.63 32.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.201 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.509 ' CG2' ' HB2' ' A' ' 45' ' ' CYS . 44.9 mt -121.44 151.05 24.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.153 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.452 ' SG ' ' HB3' ' A' ' 44' ' ' GLN . 19.3 p -72.6 138.93 47.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.542 ' HG3' ' N ' ' A' ' 44' ' ' GLN . 3.7 ptt180 -44.69 -31.68 1.26 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.542 ' N ' ' HG3' ' A' ' 43' ' ' ARG . 12.2 tt0 -59.06 -52.95 63.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.517 ' HB3' HD12 ' A' ' 20' ' ' ILE . 69.4 m -70.6 -37.87 73.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.633 HD23 HD22 ' A' ' 71' ' ' LEU . 5.6 tp -63.01 -43.27 99.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -56.36 -49.24 74.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.415 ' HD3' ' O ' ' A' ' 44' ' ' GLN . 2.5 mptp? -55.74 -29.59 59.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 77.6 mt -80.64 -51.18 9.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.7 tt -59.44 -40.16 85.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -42.08 -61.6 1.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.0 t -69.47 -57.21 5.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 58.5 m -53.25 154.2 3.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.824 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 15.8 tt -133.57 -35.49 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.105 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 35.4 m120 -100.95 43.88 1.04 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.937 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.466 ' HA3' ' CG2' ' A' ' 65' ' ' ILE . . . 109.85 153.04 14.25 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.481 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 84.7 t -91.32 114.43 28.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.777 0.322 . . . . 0.0 111.113 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 35.9 ttt180 -78.68 113.54 16.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.459 ' O ' ' HA ' ' A' ' 63' ' ' SER . 43.7 t -66.07 126.26 91.58 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.636 0.731 . . . . 0.0 110.875 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 4.01 2.46 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.725 2.283 . . . . 0.0 112.354 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.575 ' CZ ' ' HB2' ' A' ' 19' ' ' PRO . 38.6 m-85 -107.93 -60.28 1.73 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.504 ' SG ' ' CB ' ' A' ' 37' ' ' CYS . 22.2 p -104.04 -16.35 15.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.459 ' HA ' ' O ' ' A' ' 59' ' ' CYS . 19.0 m 58.65 51.6 7.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.867 -179.799 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.453 ' O ' ' C ' ' A' ' 65' ' ' ILE . 91.7 mttt -113.55 90.1 3.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.466 ' CG2' ' HA3' ' A' ' 56' ' ' GLY . 45.3 mm -33.25 124.73 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.546 HG23 ' ND1' ' A' ' 36' ' ' HIS . 11.7 m -83.56 -29.12 28.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.128 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.5 mmt180 63.93 55.03 1.64 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.778 HD13 ' HB3' ' A' ' 74' ' ' LEU . 2.5 pt -129.57 113.21 26.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.155 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.444 HG23 ' H ' ' A' ' 69' ' ' THR . 1.2 p -61.25 -41.37 96.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.139 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.8 p -110.31 -179.56 3.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.839 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.633 HD22 HD23 ' A' ' 46' ' ' LEU . 27.4 mt -85.29 -45.94 11.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.913 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 10.6 t -62.09 -10.31 9.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.128 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.455 ' HB3' HG22 ' A' ' 68' ' ' ILE . 2.2 mt-30 -69.25 -65.42 0.71 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.778 ' HB3' HD13 ' A' ' 68' ' ' ILE . 0.6 OUTLIER -46.2 173.07 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.405 ' O ' ' O ' ' A' ' 34' ' ' LEU . 93.2 m -69.26 130.26 42.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.154 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -81.48 146.75 30.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.607 ' OD1' HG13 ' A' ' 80' ' ' VAL . 22.9 t-20 -115.37 68.47 0.71 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.941 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.694 HD13 ' H ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -81.28 14.44 2.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 14.2 t -88.19 -18.1 29.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.15 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.892 HG21 ' HB3' ' A' ' 32' ' ' PRO . 9.8 m -84.19 -19.19 9.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.17 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 92.8 mt -91.68 -33.39 15.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.942 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.94 162.3 18.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 9.0 t -121.78 104.03 9.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.447 ' C ' ' H ' ' A' ' 86' ' ' SER . . . -64.47 143.47 47.11 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.511 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.524 ' O ' ' C ' ' A' ' 86' ' ' SER . 52.9 Cg_endo -69.8 14.24 0.27 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.66 2.24 . . . . 0.0 112.313 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.524 ' C ' ' O ' ' A' ' 85' ' ' PRO . 16.3 m -28.24 -44.6 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 85' ' ' PRO . 3.6 m -145.15 114.53 7.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.865 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 CA-C-O 119.139 -0.811 . . . . 0.0 112.516 -179.975 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.1 t -170.23 162.3 8.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.918 0.389 . . . . 0.0 110.844 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.2 t -129.14 -50.15 1.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.849 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.32 -178.22 22.55 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.537 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.8 p -153.62 133.32 13.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.894 0.378 . . . . 0.0 110.798 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.9 p -167.54 138.45 2.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.86 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.67 -162.18 0.13 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.47 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -160.81 157.49 26.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.856 0.36 . . . . 0.0 110.912 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -170.8 146.72 2.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -156.81 119.59 4.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.852 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.65 -47.75 11.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.08 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.418 HD22 ' OE2' ' A' ' 14' ' ' GLU . 1.2 mt -40.37 161.43 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.3 ptp85 -110.66 -17.96 13.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.418 ' OE2' HD22 ' A' ' 12' ' ' LEU . 18.0 pt-20 -60.68 160.89 8.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.629 ' O ' HG23 ' A' ' 15' ' ' VAL . 15.4 m -123.74 49.94 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.133 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 62.9 mt -49.17 -20.67 0.63 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -118.56 138.33 52.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.443 ' O ' ' HA ' ' A' ' 22' ' ' MET . 53.6 t -51.46 134.25 33.81 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.639 0.733 . . . . 0.0 110.862 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.418 ' CD ' ' O ' ' A' ' 40' ' ' THR . 54.2 Cg_endo -69.77 0.08 6.16 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.706 2.271 . . . . 0.0 112.366 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.542 HD11 HD13 ' A' ' 41' ' ' ILE . 59.4 mt -111.67 -74.79 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.414 ' SG ' ' HB3' ' A' ' 18' ' ' CYS . 9.7 p -73.7 -29.32 62.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.443 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 47.9 mmm 71.71 47.18 0.35 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.414 ' HB3' ' CD1' ' A' ' 30' ' ' LEU . 4.9 mm-40 -119.02 138.74 52.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.899 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 28.6 p -50.0 133.28 22.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.839 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.51 ' CG ' ' HB3' ' A' ' 32' ' ' PRO . 36.9 m-85 -76.07 101.6 5.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.95 136.03 54.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.181 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.773 ' OE2' HD13 ' A' ' 81' ' ' LEU . 23.2 mp0 -76.34 47.15 0.45 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.896 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -133.56 -39.63 0.89 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.861 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -134.36 -41.55 0.8 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.924 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.414 ' CD1' ' HB3' ' A' ' 23' ' ' GLU . 2.5 mt -121.52 111.14 16.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.7 mmt85 -100.91 130.59 24.84 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.562 0.696 . . . . 0.0 110.933 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.559 ' HB3' HG21 ' A' ' 80' ' ' VAL . 53.6 Cg_endo -69.78 127.89 15.21 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.703 2.269 . . . . 0.0 112.302 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.455 ' HE3' HD11 ' A' ' 74' ' ' LEU . 17.8 mmmt -122.55 143.68 49.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.521 HD11 ' O ' ' A' ' 38' ' ' GLY . 4.8 tp -111.44 131.27 55.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.814 HD22 ' OG1' ' A' ' 66' ' ' THR . 88.7 mt -93.64 162.94 13.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -61.99 -7.95 4.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.41 ' SG ' ' HB2' ' A' ' 35' ' ' LEU . 29.4 p -87.7 -44.72 10.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.521 ' O ' HD11 ' A' ' 34' ' ' LEU . . . 137.35 -29.33 2.71 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.523 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 27.6 m170 -65.5 144.18 57.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.894 0.378 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.471 HG21 ' CG ' ' A' ' 77' ' ' ASN . 30.1 m -108.08 128.14 54.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.146 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.542 HD13 HD11 ' A' ' 20' ' ' ILE . 9.9 mt -135.64 149.73 28.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.169 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.444 ' SG ' ' HB3' ' A' ' 44' ' ' GLN . 17.5 p -72.0 148.12 46.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.918 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.524 ' HG3' ' N ' ' A' ' 44' ' ' GLN . 0.3 OUTLIER -52.33 -31.89 35.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 -179.942 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.524 ' N ' ' HG3' ' A' ' 43' ' ' ARG . 7.8 tt0 -58.77 -45.87 88.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.538 ' HB2' HG22 ' A' ' 41' ' ' ILE . 90.5 m -80.3 -34.01 37.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.712 HD21 HD21 ' A' ' 74' ' ' LEU . 6.5 tp -66.22 -36.4 82.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -62.62 -50.14 72.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.89 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -52.45 -38.05 58.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.869 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 36.9 mt -71.39 -54.64 10.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.6 tt -53.81 -43.38 69.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -43.38 -61.76 1.26 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 26.9 t -61.79 -70.29 0.2 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 23.9 m -49.84 164.08 0.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.817 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.471 HG23 ' N ' ' A' ' 55' ' ' ASN . 12.5 tt -132.87 -43.9 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.108 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.471 ' N ' HG23 ' A' ' 54' ' ' ILE . 28.7 m120 -89.84 44.05 1.18 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.465 ' HA3' ' CG2' ' A' ' 65' ' ' ILE . . . 120.09 -167.03 13.57 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.487 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 98.7 t -124.42 120.16 58.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.852 0.358 . . . . 0.0 111.097 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 39.9 ttp180 -81.43 119.12 23.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.418 ' O ' ' HA ' ' A' ' 63' ' ' SER . 41.2 t -77.21 122.67 86.57 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.611 0.719 . . . . 0.0 110.876 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 3.71 2.61 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.682 2.254 . . . . 0.0 112.341 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -106.62 -57.63 2.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.422 ' O ' ' HB3' ' A' ' 63' ' ' SER . 24.7 p -104.91 -24.74 12.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.422 ' HB3' ' O ' ' A' ' 62' ' ' CYS . 8.2 t 74.86 43.09 0.24 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 34.0 mtpt -111.9 108.72 18.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.898 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.465 ' CG2' ' HA3' ' A' ' 56' ' ' GLY . 35.6 mm -52.6 127.95 10.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.145 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.814 ' OG1' HD22 ' A' ' 35' ' ' LEU . 16.2 m -74.12 -28.22 61.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.179 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.448 ' H ' HG22 ' A' ' 65' ' ' ILE . 0.9 OUTLIER 62.52 54.6 2.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.794 HD13 ' HB3' ' A' ' 74' ' ' LEU . 1.6 pt -132.7 146.21 33.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.123 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.1 p -88.97 -38.92 14.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.101 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.3 t -117.67 168.3 10.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.801 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.688 HD22 HD23 ' A' ' 46' ' ' LEU . 10.3 mt -72.91 -29.77 63.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.906 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 8.1 t -76.47 -25.19 54.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.115 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 11.0 mm100 -57.98 -58.67 7.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.916 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.794 ' HB3' HD13 ' A' ' 68' ' ' ILE . 1.4 pp -52.42 173.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.408 ' O ' ' O ' ' A' ' 34' ' ' LEU . 96.9 m -70.53 131.78 44.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.156 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -84.18 148.06 26.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.471 ' CG ' HG21 ' A' ' 40' ' ' THR . 26.1 t-20 -117.26 70.34 0.78 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.708 HD13 ' H ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -86.18 16.04 4.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.953 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.443 HG22 ' ND2' ' A' ' 77' ' ' ASN . 14.9 t -81.05 -34.69 32.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.155 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.559 HG21 ' HB3' ' A' ' 32' ' ' PRO . 14.1 m -69.54 -27.62 34.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.124 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.773 HD13 ' OE2' ' A' ' 27' ' ' GLU . 13.3 mt -77.4 -35.66 54.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 38.5 mmtt -72.58 144.78 47.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 31.6 m -104.15 95.3 5.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 74.22 154.78 3.72 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.494 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 126.63 13.51 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.693 2.262 . . . . 0.0 112.306 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 93.0 p -129.76 -44.96 1.18 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 97.2 p -133.46 -44.38 0.83 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.844 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 CA-C-O 119.16 -0.8 . . . . 0.0 112.493 179.996 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.5 m -59.69 -56.44 21.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.884 0.373 . . . . 0.0 110.899 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 m -166.49 166.23 16.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.4 175.04 21.45 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.505 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.4 t -127.35 172.06 10.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.89 0.376 . . . . 0.0 110.861 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.4 p -149.66 172.96 14.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.97 161.0 18.42 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.513 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -157.99 142.81 16.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.866 0.365 . . . . 0.0 110.893 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.6 tp -174.6 128.83 0.33 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.942 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -140.98 118.45 11.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -118.4 -47.57 2.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -78.71 164.59 24.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -101.1 40.32 1.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -120.26 153.65 36.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.41 ' O ' HG23 ' A' ' 15' ' ' VAL . 28.9 m -94.91 42.34 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.114 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.7 mt -50.54 -21.88 1.72 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.968 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -111.14 145.5 38.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.906 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.45 ' O ' ' HA ' ' A' ' 22' ' ' MET . 53.5 t -56.86 135.88 79.24 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.652 0.739 . . . . 0.0 110.873 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.415 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 53.8 Cg_endo -69.73 -0.85 7.48 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.64 2.227 . . . . 0.0 112.34 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.534 HD11 HD13 ' A' ' 41' ' ' ILE . 60.0 mt -112.82 -73.89 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.151 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.3 p -75.92 -29.34 58.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.45 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 8.2 mtp 69.71 44.1 0.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.851 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 24' ' ' SER . 12.2 mt-10 -115.12 124.78 52.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.929 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.52 ' O ' HG23 ' A' ' 26' ' ' THR . 74.2 p -34.71 122.52 0.53 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.816 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.743 ' CD2' HG21 ' A' ' 80' ' ' VAL . 18.8 m-85 -59.87 106.13 0.46 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.892 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.52 HG23 ' O ' ' A' ' 24' ' ' SER . 26.4 p -102.59 132.76 48.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.112 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -69.39 -17.16 63.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -69.69 -55.46 9.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -125.74 -71.31 0.7 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.949 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 30.8 mt -65.35 80.97 0.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.917 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.5 mmm-85 -88.49 132.38 39.19 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.654 0.74 . . . . 0.0 110.826 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.626 ' HB3' HG21 ' A' ' 80' ' ' VAL . 53.6 Cg_endo -69.78 110.0 2.45 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.676 2.251 . . . . 0.0 112.372 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.7 mmmt -108.93 134.08 52.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.875 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.773 HD11 ' O ' ' A' ' 38' ' ' GLY . 6.6 tp -100.62 123.83 45.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.932 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.76 HD21 ' CD1' ' A' ' 46' ' ' LEU . 89.9 mt -79.13 162.82 25.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.497 ' CG ' HG23 ' A' ' 66' ' ' THR . 23.0 m170 -63.1 -6.4 4.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.811 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.456 ' CB ' ' SG ' ' A' ' 62' ' ' CYS . 30.0 p -89.65 -45.79 9.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.926 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.773 ' O ' HD11 ' A' ' 34' ' ' LEU . . . 141.18 -30.18 2.26 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.467 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.486 ' O ' HD12 ' A' ' 34' ' ' LEU . 30.1 m170 -66.27 148.99 51.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.867 0.365 . . . . 0.0 110.871 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.478 ' OG1' HD13 ' A' ' 34' ' ' LEU . 40.4 m -108.06 137.41 46.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.127 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.534 HD13 HD11 ' A' ' 20' ' ' ILE . 10.9 mt -145.26 147.13 19.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.088 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.469 ' SG ' ' HB3' ' A' ' 44' ' ' GLN . 17.2 p -70.75 133.97 47.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.423 ' HG3' ' N ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -39.72 -37.22 0.5 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.837 -179.893 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.469 ' HB3' ' SG ' ' A' ' 42' ' ' CYS . 22.4 tt0 -52.79 -54.98 26.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.463 ' HB2' HG22 ' A' ' 41' ' ' ILE . 87.5 m -69.39 -38.88 78.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.882 HD23 HD22 ' A' ' 71' ' ' LEU . 5.9 tp -63.69 -32.48 73.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.883 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.537 ' OE1' HD21 ' A' ' 71' ' ' LEU . 4.6 mm-40 -69.61 -46.44 66.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.87 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -54.44 -33.45 59.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.467 ' HB3' HG13 ' A' ' 57' ' ' VAL . 79.3 mt -80.93 -50.58 9.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.88 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.551 ' HA ' HG22 ' A' ' 57' ' ' VAL . 3.3 tt -55.25 -39.51 69.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.44 -62.74 1.62 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.111 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.4 t -57.2 -38.14 73.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.6 m -59.38 -175.54 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.86 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -108.53 -51.15 7.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.165 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 50.5 m-20 -134.91 -48.14 0.74 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -104.96 160.44 15.3 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.49 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.551 HG22 ' HA ' ' A' ' 50' ' ' LEU . 91.4 t -102.03 129.31 53.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.826 0.346 . . . . 0.0 111.163 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.416 ' O ' HD13 ' A' ' 49' ' ' LEU . 24.9 ttm180 -86.57 123.19 31.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.461 ' O ' ' HA ' ' A' ' 63' ' ' SER . 12.0 t -82.69 120.25 76.14 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.614 0.721 . . . . 0.0 110.881 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 5.25 1.75 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.659 2.239 . . . . 0.0 112.355 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.415 ' CZ ' ' HB2' ' A' ' 19' ' ' PRO . 23.2 m-85 -105.39 -59.09 1.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.93 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.456 ' SG ' ' CB ' ' A' ' 37' ' ' CYS . 24.1 p -103.74 -12.4 17.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.84 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.461 ' HA ' ' O ' ' A' ' 59' ' ' CYS . 5.0 p 65.88 34.77 7.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.454 ' HD3' ' CB ' ' A' ' 37' ' ' CYS . 31.1 mtpt -97.83 120.2 37.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.885 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 38.5 mm -69.25 113.61 5.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.122 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.497 HG23 ' CG ' ' A' ' 36' ' ' HIS . 5.4 m -95.18 98.13 10.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.43 ' O ' HG23 ' A' ' 68' ' ' ILE . 0.4 OUTLIER -66.62 91.94 0.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.765 ' O ' HD12 ' A' ' 68' ' ' ILE . 1.9 pp -155.95 105.61 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 4.6 t -68.65 -34.93 76.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.154 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.691 ' HB3' HG22 ' A' ' 72' ' ' THR . 4.3 m -106.32 137.63 43.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.833 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.882 HD22 HD23 ' A' ' 46' ' ' LEU . 22.1 mt -57.56 -19.56 26.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.912 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.691 HG22 ' HB3' ' A' ' 70' ' ' SER . 9.8 t -80.97 -31.43 34.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.152 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.553 ' HB3' HG22 ' A' ' 68' ' ' ILE . 13.9 mt-30 -50.21 -64.66 0.74 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.55 HD11 ' O ' ' A' ' 71' ' ' LEU . 0.5 OUTLIER -51.93 174.88 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.402 ' O ' ' O ' ' A' ' 34' ' ' LEU . 97.0 m -73.86 138.85 44.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.171 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.19 150.45 21.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -122.17 66.51 0.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.719 HD13 ' H ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -82.62 20.57 1.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.914 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 11.8 t -85.05 -30.52 24.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.154 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.743 HG21 ' CD2' ' A' ' 25' ' ' PHE . 11.4 m -75.59 -24.46 17.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.177 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 25.0 mt -73.45 -39.42 64.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.63 145.51 24.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 25.7 t -105.94 -53.61 2.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.846 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -148.86 173.88 28.65 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.499 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 158.65 56.18 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.656 2.237 . . . . 0.0 112.354 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 93.6 p -109.61 171.92 7.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.846 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 28.4 t -138.61 131.6 29.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 CA-C-O 119.139 -0.812 . . . . 0.0 112.484 -179.983 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.9 m -82.36 142.41 32.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.887 0.375 . . . . 0.0 110.815 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 t -153.92 164.36 38.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.851 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.19 -178.88 45.86 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.498 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.6 t 47.28 42.34 13.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.883 0.373 . . . . 0.0 110.842 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.2 m -58.02 -52.61 64.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.846 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.75 116.15 0.35 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.488 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -69.71 -60.66 2.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.871 0.367 . . . . 0.0 110.876 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.534 ' H ' HD23 ' A' ' 9' ' ' LEU . 1.8 pt? -109.67 176.34 5.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -114.29 103.29 10.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.83 -61.77 2.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -47.71 133.01 14.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.886 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.64 38.03 4.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -75.15 174.77 8.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.441 ' O ' HG23 ' A' ' 15' ' ' VAL . 23.8 m -132.01 42.0 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.121 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 67.3 mt -48.46 -22.06 0.66 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.93 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -114.45 153.72 29.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.462 ' O ' ' HA ' ' A' ' 22' ' ' MET . 53.8 t -64.24 136.1 96.61 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.585 0.707 . . . . 0.0 110.919 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -0.33 6.79 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.719 2.279 . . . . 0.0 112.309 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.458 HD12 ' CG2' ' A' ' 41' ' ' ILE . 62.4 mt -111.98 -74.65 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.095 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.414 ' SG ' ' HB3' ' A' ' 18' ' ' CYS . 6.6 p -73.93 -27.77 61.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.462 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 79.8 mmm 68.23 45.54 1.23 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.458 ' HB3' ' CD1' ' A' ' 30' ' ' LEU . 6.5 mt-10 -116.27 136.04 53.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 27.8 m -49.39 130.11 19.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.877 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.652 ' CD2' HG21 ' A' ' 80' ' ' VAL . 31.0 m-85 -70.61 107.07 3.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.916 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.5 t -114.16 145.84 41.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.121 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.661 ' HG3' HD22 ' A' ' 81' ' ' LEU . 59.1 mt-10 -85.8 43.03 1.01 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -132.7 -47.75 0.88 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.886 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 44.8 tp60 -127.1 -59.77 1.23 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.458 ' CD1' ' HB3' ' A' ' 23' ' ' GLU . 13.5 mt -91.94 99.98 12.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 53.9 mtm180 -99.73 130.08 27.37 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.621 0.724 . . . . 0.0 110.861 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.529 ' HB3' HG21 ' A' ' 80' ' ' VAL . 53.7 Cg_endo -69.75 117.71 5.25 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.734 2.289 . . . . 0.0 112.36 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.6 mmmt -116.35 132.11 56.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.641 HD11 ' O ' ' A' ' 38' ' ' GLY . 4.2 tp -94.41 132.25 39.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.487 HD21 ' CD1' ' A' ' 46' ' ' LEU . 63.4 mt -87.74 162.42 17.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.582 ' CD2' HG23 ' A' ' 66' ' ' THR . 21.8 m170 -63.76 -6.63 5.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.452 ' CB ' ' HD2' ' A' ' 64' ' ' LYS . 30.0 p -91.56 -47.28 7.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.641 ' O ' HD11 ' A' ' 34' ' ' LEU . . . 144.73 -30.95 1.8 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.474 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.424 ' O ' HD12 ' A' ' 34' ' ' LEU . 31.8 m170 -66.04 150.34 48.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.878 0.371 . . . . 0.0 110.835 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.45 ' OG1' HD13 ' A' ' 34' ' ' LEU . 89.2 m -111.68 139.52 47.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.093 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.58 HG22 ' HB2' ' A' ' 45' ' ' CYS . 13.0 mt -145.71 148.72 17.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.091 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.481 ' SG ' ' HB3' ' A' ' 44' ' ' GLN . 20.8 p -72.35 139.12 47.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.5 ppt_? -40.99 -36.87 0.72 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.481 ' HB3' ' SG ' ' A' ' 42' ' ' CYS . 23.3 tt0 -53.71 -60.97 2.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.882 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.58 ' HB2' HG22 ' A' ' 41' ' ' ILE . 60.4 m -60.28 -48.31 82.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.8 HD23 HD22 ' A' ' 71' ' ' LEU . 5.4 tp -57.52 -37.31 72.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.652 ' OE1' HD21 ' A' ' 71' ' ' LEU . 4.0 mm-40 -65.01 -52.81 54.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.7 mptt -50.56 -29.23 10.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.92 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 82.4 mt -84.75 -57.22 3.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.405 HD23 ' O ' ' A' ' 50' ' ' LEU . 2.5 tt -48.84 -40.63 30.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.92 -64.67 0.74 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 37.8 p -67.93 -57.73 5.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.7 m -51.62 -174.96 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.842 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.733 HG22 ' H ' ' A' ' 55' ' ' ASN . 0.9 OUTLIER -88.86 -172.19 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.154 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.733 ' H ' HG22 ' A' ' 54' ' ' ILE . 20.3 p30 -40.57 -23.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 54' ' ' ILE . . . -109.81 154.03 16.71 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.471 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.556 HG11 HD12 ' A' ' 46' ' ' LEU . 94.1 t -100.82 124.04 54.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.87 0.367 . . . . 0.0 111.095 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 43.6 ttp180 -81.72 115.22 20.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.435 ' O ' ' HA ' ' A' ' 63' ' ' SER . 18.1 t -71.64 120.98 83.11 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.64 0.733 . . . . 0.0 110.916 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 3.68 2.64 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.706 2.271 . . . . 0.0 112.311 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -106.66 -61.43 1.53 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 26.8 p -99.75 -24.64 14.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.435 ' HA ' ' O ' ' A' ' 59' ' ' CYS . 6.1 t 74.95 47.49 0.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.452 ' HD2' ' CB ' ' A' ' 37' ' ' CYS . 34.0 mttm -108.97 115.31 29.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 43.6 mm -62.9 118.98 5.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.125 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.582 HG23 ' CD2' ' A' ' 36' ' ' HIS . 3.4 m -94.5 85.7 4.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.125 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? -55.02 89.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.838 ' CD1' HD23 ' A' ' 74' ' ' LEU . 2.1 pt -151.63 107.72 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 8.9 t -59.35 -35.38 73.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.122 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 48.3 m -115.09 164.85 13.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.8 HD22 HD23 ' A' ' 46' ' ' LEU . 18.0 mt -75.41 -26.92 58.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.922 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 7.9 t -78.41 -22.25 48.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.17 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 19.0 mm100 -59.68 -54.55 45.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.838 HD23 ' CD1' ' A' ' 68' ' ' ILE . 1.7 pp -54.02 -175.03 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.489 HG22 ' HB3' ' A' ' 34' ' ' LEU . 82.0 m -81.29 133.12 35.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.143 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -79.98 154.44 28.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -128.43 67.78 1.37 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.636 HD13 ' H ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -84.8 21.07 1.64 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 179.928 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 12.4 t -83.37 -32.62 26.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.19 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.652 HG21 ' CD2' ' A' ' 25' ' ' PHE . 10.2 m -77.41 -29.69 16.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.07 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.661 HD22 ' HG3' ' A' ' 27' ' ' GLU . 19.7 mt -73.26 -39.12 65.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -143.83 133.55 23.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 25.3 m -58.05 109.75 0.8 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.881 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -149.93 167.82 29.99 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.484 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -177.0 1.67 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.687 2.258 . . . . 0.0 112.365 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 19.9 m -74.23 122.72 23.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.836 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.2 t -95.6 135.84 36.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.843 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 CA-C-O 119.098 -0.834 . . . . 0.0 112.475 179.989 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.538 -0.225 . . . . 0.0 112.538 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 t -163.32 127.67 2.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.895 0.379 . . . . 0.0 110.848 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.4 p -138.01 176.94 8.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.855 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.64 178.06 27.4 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.49 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.7 t -167.14 144.93 4.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.897 0.379 . . . . 0.0 110.818 -179.713 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.2 p -156.62 154.32 29.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.58 -90.79 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.498 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.6 m120 62.01 46.42 6.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.892 0.377 . . . . 0.0 110.89 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.0 tp -150.04 132.21 15.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -118.24 105.42 11.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -93.24 -34.89 13.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.072 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.402 ' HA ' HD13 ' A' ' 12' ' ' LEU . 3.9 mm? -46.98 154.21 0.36 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.29 -9.61 13.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.9 mp0 -76.44 160.47 29.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 17' ' ' GLU . 33.1 m -96.76 31.61 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.122 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.3 mt -41.31 -24.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 15' ' ' VAL . 3.6 mt-10 -109.26 132.96 53.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.461 ' O ' ' HA ' ' A' ' 22' ' ' MET . 52.6 t -49.18 136.2 15.42 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.653 0.74 . . . . 0.0 110.895 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.504 ' CD ' ' O ' ' A' ' 40' ' ' THR . 53.8 Cg_endo -69.79 1.2 4.67 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.722 2.281 . . . . 0.0 112.377 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.429 HD12 ' HB3' ' A' ' 45' ' ' CYS . 26.4 mt -115.12 -74.47 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.111 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 8.8 p -74.69 -23.86 58.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.461 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 6.7 mmt 62.76 45.45 5.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.833 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.486 ' HB3' HD13 ' A' ' 30' ' ' LEU . 8.3 mt-10 -115.34 124.93 52.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.921 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 23' ' ' GLU . 7.4 t -37.31 130.35 0.92 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.838 -179.775 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.607 ' CD2' HG21 ' A' ' 80' ' ' VAL . 18.0 m-85 -69.85 101.45 1.74 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.43 ' O ' HD21 ' A' ' 81' ' ' LEU . 32.1 p -84.12 -174.36 5.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.134 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.504 ' OE2' HD13 ' A' ' 81' ' ' LEU . 67.9 mm-40 -94.78 -64.5 1.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -84.89 32.75 0.53 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.466 ' O ' ' C ' ' A' ' 30' ' ' LEU . 2.6 tp60 -177.04 163.38 2.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.486 HD13 ' HB3' ' A' ' 23' ' ' GLU . 27.2 mt 32.84 42.33 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 48.0 mtm180 -54.11 128.17 56.56 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.569 0.7 . . . . 0.0 110.887 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.6 ' HB3' HG21 ' A' ' 80' ' ' VAL . 53.2 Cg_endo -69.78 117.74 5.26 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.672 2.248 . . . . 0.0 112.315 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.4 mmmt -117.25 137.28 52.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.887 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.94 HD22 ' ND2' ' A' ' 77' ' ' ASN . 5.4 tp -103.25 125.35 49.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.7 HD21 ' CD1' ' A' ' 46' ' ' LEU . 94.8 mt -82.8 162.58 21.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.953 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -60.34 -9.32 3.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.822 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 28.2 p -88.21 -46.6 9.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.721 ' O ' HD11 ' A' ' 34' ' ' LEU . . . 140.21 -28.66 2.46 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.504 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.471 ' O ' HD12 ' A' ' 34' ' ' LEU . 23.2 m170 -62.99 148.32 48.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.869 0.366 . . . . 0.0 110.896 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.504 ' O ' ' CD ' ' A' ' 19' ' ' PRO . 62.5 m -111.48 126.94 55.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.167 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.528 ' CG2' ' HB2' ' A' ' 45' ' ' CYS . 60.3 mt -135.45 150.03 28.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.117 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.446 ' SG ' ' HB3' ' A' ' 44' ' ' GLN . 19.5 p -73.88 135.56 43.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.406 ' HG3' ' N ' ' A' ' 44' ' ' GLN . 0.1 OUTLIER -38.24 -37.51 0.29 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.82 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.446 ' HB3' ' SG ' ' A' ' 42' ' ' CYS . 12.4 tt0 -53.87 -61.01 2.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.528 ' HB2' ' CG2' ' A' ' 41' ' ' ILE . 56.3 m -59.84 -44.98 93.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.7 ' CD1' HD21 ' A' ' 35' ' ' LEU . 5.7 tp -59.51 -35.84 74.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.635 ' OE1' HD21 ' A' ' 71' ' ' LEU . 4.6 mm-40 -63.35 -51.33 66.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.407 ' HD3' ' O ' ' A' ' 44' ' ' GLN . 6.8 mptt -49.75 -34.93 20.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.899 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 96.3 mt -80.81 -53.26 6.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 51' ' ' ALA . 1.4 tt -51.31 -46.95 62.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 50' ' ' LEU . . . -37.84 -65.39 0.33 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.079 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 33.6 m -67.52 -43.49 80.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.862 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 60.4 m -61.12 151.69 30.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.818 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.419 HG23 ' N ' ' A' ' 55' ' ' ASN . 7.2 tt -132.46 -40.79 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.153 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.419 ' N ' HG23 ' A' ' 54' ' ' ILE . 5.7 m120 -100.19 47.7 0.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.465 ' HA3' ' CG2' ' A' ' 65' ' ' ILE . . . 106.47 154.33 20.49 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.487 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 48.5 t -91.32 116.27 32.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.88 0.371 . . . . 0.0 111.124 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 68.9 ttt180 -77.34 113.77 15.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.444 ' O ' ' HA ' ' A' ' 63' ' ' SER . 42.4 t -67.24 123.53 86.68 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.702 0.763 . . . . 0.0 110.862 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 4.36 2.25 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.669 2.246 . . . . 0.0 112.356 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.488 ' CZ ' ' HB2' ' A' ' 19' ' ' PRO . 33.5 m-85 -107.17 -54.89 2.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.853 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 26.4 p -111.6 -16.33 13.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.88 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.444 ' HA ' ' O ' ' A' ' 59' ' ' CYS . 74.3 m 62.25 47.83 5.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 65' ' ' ILE . 89.5 mttt -109.42 91.16 3.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.465 ' CG2' ' HA3' ' A' ' 56' ' ' GLY . 46.0 mm -33.67 125.49 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.129 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.618 ' OG1' HD22 ' A' ' 35' ' ' LEU . 14.8 m -79.2 -29.53 42.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.143 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.428 ' HB3' ' NH1' ' A' ' 67' ' ' ARG . 3.5 mmm180 64.01 48.94 2.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.974 ' CD1' HD23 ' A' ' 74' ' ' LEU . 2.5 pt -128.39 132.36 68.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.122 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.7 t -85.35 -29.97 24.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.18 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 18.2 m -116.53 153.4 32.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.826 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.635 HD21 ' OE1' ' A' ' 47' ' ' GLU . 56.2 mt -63.56 -28.23 69.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.901 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 8.9 t -80.85 -30.77 35.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.155 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 -47.09 -56.25 6.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.974 HD23 ' CD1' ' A' ' 68' ' ' ILE . 2.8 pp -53.06 -174.26 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 90.8 m -84.22 137.02 33.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.16 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -84.71 152.42 23.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.94 ' ND2' HD22 ' A' ' 34' ' ' LEU . 2.3 t-20 -129.75 62.27 1.55 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.692 HD13 ' H ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -75.91 5.82 5.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.3 t -66.87 -40.49 87.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.153 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.607 HG21 ' CD2' ' A' ' 25' ' ' PHE . 19.8 m -67.13 -30.38 49.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.142 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.504 HD13 ' OE2' ' A' ' 27' ' ' GLU . 96.9 mt -73.02 -34.59 66.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.932 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 81' ' ' LEU . 0.0 OUTLIER 36.28 54.59 1.03 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 179.816 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 63.5 m 54.3 44.61 28.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 81' ' ' LEU . . . 87.46 -174.54 45.1 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.511 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.434 ' O ' ' C ' ' A' ' 86' ' ' SER . 53.7 Cg_endo -69.75 86.58 0.57 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.694 2.263 . . . . 0.0 112.359 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 85' ' ' PRO . 23.5 m 34.84 41.97 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 -179.775 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.8 m -85.22 114.29 22.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.801 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 CA-C-O 119.11 -0.828 . . . . 0.0 112.513 179.955 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.8 p -164.53 147.26 8.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.846 0.355 . . . . 0.0 110.86 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.3 t -93.6 -61.03 1.63 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.88 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.9 170.71 20.2 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.448 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.1 t -157.93 136.48 11.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.879 0.371 . . . . 0.0 110.844 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 m -51.98 149.9 4.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.25 52.19 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.508 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -161.76 145.7 12.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.878 0.371 . . . . 0.0 110.866 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.4 tp -174.19 155.92 2.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -148.63 125.73 11.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.844 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -98.86 -54.38 3.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.118 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -52.78 149.09 6.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -105.47 44.28 1.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.888 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -128.64 169.49 14.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 33.5 m -97.82 41.32 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.084 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 18.8 mt -53.13 -16.61 1.22 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -115.02 159.45 20.77 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.587 ' SG ' HG23 ' A' ' 41' ' ' ILE . 51.0 t -70.41 135.94 86.41 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.591 0.71 . . . . 0.0 110.894 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.493 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 53.8 Cg_endo -69.7 -0.05 6.31 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.7 2.267 . . . . 0.0 112.345 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.437 HD12 ' HB3' ' A' ' 45' ' ' CYS . 27.3 mt -111.61 -72.55 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.133 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.8 p -77.87 -29.52 50.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.893 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.455 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 10.2 mtp 71.65 49.89 0.27 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.441 ' OE1' HD11 ' A' ' 30' ' ' LEU . 13.7 mt-10 -119.08 140.91 49.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.855 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.6 p -51.32 132.29 28.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.893 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.56 ' CD2' HG21 ' A' ' 80' ' ' VAL . 21.6 m-85 -74.02 103.22 4.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.893 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.404 ' O ' ' O ' ' A' ' 30' ' ' LEU . 1.3 t -124.69 138.26 54.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.15 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 64.0 mt-10 -79.74 45.59 0.71 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -134.27 -38.48 0.85 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 -133.41 -37.95 0.94 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.917 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.441 HD11 ' OE1' ' A' ' 23' ' ' GLU . 1.8 mt -130.27 105.28 7.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 22.6 mtm180 -95.8 131.34 29.42 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.608 0.718 . . . . 0.0 110.875 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.516 ' HB3' HG21 ' A' ' 80' ' ' VAL . 53.6 Cg_endo -69.76 122.57 9.25 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.713 2.275 . . . . 0.0 112.336 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.483 ' HB3' HD11 ' A' ' 74' ' ' LEU . 3.5 mmmm -122.31 135.26 54.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.894 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.647 HD11 ' O ' ' A' ' 38' ' ' GLY . 6.3 tp -99.74 130.54 45.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.68 HD21 ' CD1' ' A' ' 46' ' ' LEU . 77.1 mt -87.63 162.25 17.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.539 ' CD2' ' O ' ' A' ' 66' ' ' THR . 0.4 OUTLIER -60.37 -9.67 3.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.888 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.412 ' SG ' ' HB2' ' A' ' 35' ' ' LEU . 28.5 p -88.81 -46.92 8.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.647 ' O ' HD11 ' A' ' 34' ' ' LEU . . . 141.46 -29.55 2.26 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.437 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 25.4 m170 -63.28 139.71 58.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.929 0.395 . . . . 0.0 110.841 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.534 HG21 ' CG ' ' A' ' 77' ' ' ASN . 15.6 m -106.09 118.17 35.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.154 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.587 HG23 ' SG ' ' A' ' 18' ' ' CYS . 18.9 mt -127.41 152.21 35.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.097 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.459 ' SG ' ' HB3' ' A' ' 44' ' ' GLN . 17.5 p -71.87 140.22 49.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.858 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.563 ' HG3' ' N ' ' A' ' 44' ' ' GLN . 4.8 ptt180 -44.3 -37.53 3.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.563 ' N ' ' HG3' ' A' ' 43' ' ' ARG . 18.2 tt0 -52.08 -55.25 21.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.494 ' HB2' HG22 ' A' ' 41' ' ' ILE . 54.4 m -65.75 -38.03 87.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.68 ' CD1' HD21 ' A' ' 35' ' ' LEU . 5.3 tp -62.22 -40.85 97.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -62.01 -50.99 69.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -48.0 -34.9 10.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 56.8 mt -82.0 -57.56 3.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.46 ' O ' HD23 ' A' ' 50' ' ' LEU . 2.0 tt -47.93 -27.9 2.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -77.7 -33.34 53.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.1 t -116.24 34.87 4.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.6 m -137.53 -175.48 4.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.857 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.665 HG22 ' H ' ' A' ' 55' ' ' ASN . 0.5 OUTLIER -77.69 -173.46 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.16 179.932 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.665 ' H ' HG22 ' A' ' 54' ' ' ILE . 13.9 p30 -45.25 -18.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.439 ' N ' ' C ' ' A' ' 54' ' ' ILE . . . -112.67 -147.32 10.15 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.464 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 59.4 t -143.49 108.6 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.831 0.348 . . . . 0.0 111.177 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 59.1 ttp85 -70.85 110.41 5.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.928 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.459 ' O ' ' HA ' ' A' ' 63' ' ' SER . 47.0 t -64.85 125.34 88.78 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.657 0.741 . . . . 0.0 110.849 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 3.99 2.44 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.672 2.248 . . . . 0.0 112.367 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.493 ' CZ ' ' HB2' ' A' ' 19' ' ' PRO . 36.3 m-85 -109.35 -57.64 2.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 26.5 p -107.57 -15.63 14.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.459 ' HA ' ' O ' ' A' ' 59' ' ' CYS . 16.8 m 59.41 51.27 6.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.826 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.456 ' O ' ' C ' ' A' ' 65' ' ' ILE . 88.3 mttt -114.48 93.03 4.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.456 ' C ' ' O ' ' A' ' 64' ' ' LYS . 46.5 mm -31.73 123.66 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.111 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.539 ' O ' ' CD2' ' A' ' 36' ' ' HIS . 3.0 m -72.27 -29.86 64.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.135 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 6.8 mmm180 63.81 55.01 1.7 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.839 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 1.037 ' CD1' HD23 ' A' ' 74' ' ' LEU . 1.6 pt -137.25 121.63 23.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.142 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.1 p -67.45 -36.79 81.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.137 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.545 ' O ' HD12 ' A' ' 68' ' ' ILE . 1.2 t -111.25 167.34 10.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.429 HD22 HD23 ' A' ' 46' ' ' LEU . 13.5 mt -75.33 -25.17 57.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.929 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 8.8 t -85.18 -30.76 23.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.065 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -43.81 -52.54 6.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.933 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 1.037 HD23 ' CD1' ' A' ' 68' ' ' ILE . 3.3 pp -53.56 -174.86 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.984 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 93.0 m -83.35 136.48 34.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.153 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -80.44 145.94 31.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.887 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.534 ' CG ' HG21 ' A' ' 40' ' ' THR . 25.0 t-20 -117.14 67.73 0.74 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.704 HD13 ' H ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -81.35 12.76 3.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.937 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.8 t -75.85 -33.59 60.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.122 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.56 HG21 ' CD2' ' A' ' 25' ' ' PHE . 16.8 m -76.22 -29.74 19.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.121 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 22.6 mt -74.32 -38.9 63.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? -78.33 164.33 24.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.8 t -82.64 120.39 25.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.792 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -53.07 137.24 37.33 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.449 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 146.36 59.95 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.633 2.222 . . . . 0.0 112.347 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 65.4 p -96.7 77.98 2.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.901 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.4 m -44.91 -60.46 2.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.868 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 CA-C-O 119.164 -0.798 . . . . 0.0 112.493 -179.985 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.1 p -146.03 129.19 16.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.854 0.359 . . . . 0.0 110.837 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.3 m -144.95 114.56 7.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.842 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.85 149.75 8.66 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.457 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.1 p -149.09 177.68 9.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.867 0.365 . . . . 0.0 110.877 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 t -39.9 -51.29 2.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.872 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.89 121.05 4.13 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.48 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -66.07 113.6 4.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.842 0.353 . . . . 0.0 110.901 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.9 tp -130.82 144.9 51.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.94 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -162.33 112.06 1.48 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 179.811 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -129.02 15.97 6.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.138 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -65.05 156.47 31.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.56 -25.5 12.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.524 ' OE1' HD23 ' A' ' 16' ' ' LEU . 3.5 tm-20 -65.92 164.96 14.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.402 HG22 ' OE2' ' A' ' 14' ' ' GLU . 33.8 m -100.49 44.12 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.168 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.524 HD23 ' OE1' ' A' ' 14' ' ' GLU . 26.5 mt -52.71 -26.06 12.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.908 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.422 ' HG3' ' N ' ' A' ' 24' ' ' SER . 1.9 mp0 -105.21 175.27 5.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.922 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.462 ' O ' ' HA ' ' A' ' 22' ' ' MET . 45.5 t -75.77 136.86 70.24 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.684 0.754 . . . . 0.0 110.852 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.405 ' CD ' ' O ' ' A' ' 40' ' ' THR . 53.8 Cg_endo -69.76 1.79 4.12 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.666 2.244 . . . . 0.0 112.312 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.579 HD11 HD13 ' A' ' 41' ' ' ILE . 52.8 mt -116.02 -67.51 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.157 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.406 ' O ' ' HB2' ' A' ' 22' ' ' MET . 11.3 p -85.32 -24.72 27.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.462 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 7.9 mmt 65.97 52.0 1.27 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.712 ' HB3' HD13 ' A' ' 30' ' ' LEU . 35.0 mm-40 -115.5 136.76 52.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.866 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.422 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 29.3 p -47.04 123.86 5.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.822 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.573 ' CD2' HG21 ' A' ' 80' ' ' VAL . 15.8 m-85 -68.69 103.09 1.64 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.904 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.5 t -124.28 139.3 54.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.147 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -80.27 43.92 0.66 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -131.13 -41.33 1.12 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -134.76 -34.0 0.92 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.712 HD13 ' HB3' ' A' ' 23' ' ' GLU . 1.4 mt -128.4 98.63 5.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.909 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 19.5 mtm180 -94.6 128.77 38.66 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.605 0.717 . . . . 0.0 110.833 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.501 ' HB3' ' CG ' ' A' ' 25' ' ' PHE . 53.9 Cg_endo -69.77 114.68 3.78 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.643 2.228 . . . . 0.0 112.362 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.55 ' HB3' HD11 ' A' ' 74' ' ' LEU . 2.5 mmmm -114.53 132.31 56.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.679 HD11 ' O ' ' A' ' 38' ' ' GLY . 6.3 tp -94.87 133.94 38.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.721 HD21 ' CD1' ' A' ' 46' ' ' LEU . 84.3 mt -90.49 162.29 15.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.883 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.469 ' ND1' HG23 ' A' ' 66' ' ' THR . 0.3 OUTLIER -62.11 -7.63 4.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 179.854 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 28.8 p -89.48 -46.92 8.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.863 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.679 ' O ' HD11 ' A' ' 34' ' ' LEU . . . 141.93 -28.95 2.24 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.533 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.447 ' O ' HD12 ' A' ' 34' ' ' LEU . 29.6 m170 -65.94 146.41 54.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.896 0.379 . . . . 0.0 110.817 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.569 HG21 ' CG ' ' A' ' 77' ' ' ASN . 23.2 m -112.29 118.07 34.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.163 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.579 HD13 HD11 ' A' ' 20' ' ' ILE . 55.8 mt -125.57 151.24 31.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.167 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.503 ' SG ' ' HB3' ' A' ' 44' ' ' GLN . 17.8 p -71.86 143.66 49.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.91 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.439 ' C ' ' HD2' ' A' ' 43' ' ' ARG . 0.4 OUTLIER -45.03 -39.18 5.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.503 ' HB3' ' SG ' ' A' ' 42' ' ' CYS . 7.9 tt0 -51.47 -62.17 1.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.497 ' HB2' ' CG2' ' A' ' 41' ' ' ILE . 56.9 m -59.13 -44.17 92.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.721 ' CD1' HD21 ' A' ' 35' ' ' LEU . 4.6 tp -59.71 -35.33 74.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.684 ' OE1' HD21 ' A' ' 71' ' ' LEU . 4.1 mm-40 -63.55 -52.05 62.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.4 mptt -50.27 -33.97 21.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 96.1 mt -81.4 -54.77 5.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.896 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.534 HD13 HD23 ' A' ' 71' ' ' LEU . 1.3 tt -50.71 -47.4 59.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.922 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.97 -67.83 0.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.114 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.9 t -48.47 -46.46 38.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.6 t -63.14 173.67 1.39 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.893 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 10.8 mm -78.98 -70.57 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.131 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 13.7 p30 -130.95 -31.35 1.72 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.882 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -94.18 171.62 31.28 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.468 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.443 HG22 ' HA ' ' A' ' 50' ' ' LEU . 84.8 t -123.65 104.08 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.844 0.354 . . . . 0.0 111.153 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 21.0 ttp-105 -71.08 113.58 8.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.852 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.473 ' O ' ' HA ' ' A' ' 63' ' ' SER . 21.8 t -68.32 124.93 90.97 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.676 0.751 . . . . 0.0 110.893 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 5.19 1.8 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.648 2.232 . . . . 0.0 112.358 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -109.69 -58.29 2.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.849 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 19.5 p -103.61 -12.96 16.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.473 ' HA ' ' O ' ' A' ' 59' ' ' CYS . 3.6 m 58.74 44.38 17.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.795 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 51.0 mttp -114.14 107.86 16.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.881 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.403 HG22 ' H ' ' A' ' 67' ' ' ARG . 31.6 mm -49.83 133.66 8.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.153 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.479 ' CG2' HG12 ' A' ' 68' ' ' ILE . 10.4 m -83.28 -28.03 29.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.122 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.403 ' H ' HG22 ' A' ' 65' ' ' ILE . 0.5 OUTLIER 63.17 53.71 2.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.861 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 1.011 ' CD1' HD23 ' A' ' 74' ' ' LEU . 1.0 OUTLIER -130.94 128.94 63.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.155 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 8.9 t -79.54 -29.87 41.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.111 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.9 t -114.24 155.34 26.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.863 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.684 HD21 ' OE1' ' A' ' 47' ' ' GLU . 45.8 mt -68.4 -31.39 70.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.9 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 8.6 t -81.24 -24.77 37.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.152 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.421 ' HB3' HG22 ' A' ' 68' ' ' ILE . 6.3 mm100 -49.42 -55.09 14.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.937 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 1.011 HD23 ' CD1' ' A' ' 68' ' ' ILE . 2.5 pp -52.58 -174.85 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.419 ' O ' ' N ' ' A' ' 34' ' ' LEU . 89.1 m -80.76 142.37 33.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.17 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -89.46 149.86 22.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.569 ' CG ' HG21 ' A' ' 40' ' ' THR . 27.1 t-20 -121.81 66.37 0.91 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.885 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.634 HD13 ' H ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -80.41 14.23 2.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.953 179.936 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 13.9 t -76.46 -34.89 58.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.148 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.573 HG21 ' CD2' ' A' ' 25' ' ' PHE . 12.1 m -72.68 -36.31 52.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.149 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 14.3 mt -66.07 -40.75 91.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -87.21 117.07 25.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 40.5 t -151.76 141.01 21.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.851 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 174.49 115.28 0.39 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.486 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -39.48 6.45 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.701 2.267 . . . . 0.0 112.337 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 37.8 m -74.67 -58.87 3.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.871 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 38.5 p -77.51 171.37 15.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.816 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 CA-C-O 119.162 -0.799 . . . . 0.0 112.47 179.991 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.0 p -125.26 176.14 6.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.864 0.364 . . . . 0.0 110.826 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 81.7 p -158.65 141.71 14.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.84 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 127.15 142.49 5.59 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.451 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 m -123.01 167.48 13.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.908 0.385 . . . . 0.0 110.847 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.6 t -165.03 157.95 16.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.875 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.32 173.65 16.88 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.509 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 46.8 p30 -139.06 178.13 7.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.892 0.377 . . . . 0.0 110.873 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 13.2 tp -100.55 146.34 27.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -141.92 119.05 11.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -117.03 -43.47 2.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.091 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.8 mt -47.82 171.26 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.919 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.1 ptt85 -94.15 -46.15 7.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.0 mp0 -46.68 164.91 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.445 ' O ' ' N ' ' A' ' 17' ' ' GLU . 35.0 m -99.88 34.7 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.468 ' O ' ' CD2' ' A' ' 25' ' ' PHE . 24.3 mt -41.06 -24.86 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 15' ' ' VAL . 3.3 mt-10 -103.01 166.6 10.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.498 ' SG ' HG23 ' A' ' 41' ' ' ILE . 52.3 t -80.4 136.19 52.97 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.619 0.723 . . . . 0.0 110.891 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.527 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 53.9 Cg_endo -69.76 0.66 5.32 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.683 2.256 . . . . 0.0 112.361 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.463 HD11 HD13 ' A' ' 41' ' ' ILE . 49.0 mt -114.44 -73.33 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.172 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 18.4 p -77.72 -25.61 49.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.874 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.46 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 20.3 mmt 64.66 45.05 3.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.499 ' HB3' ' CD1' ' A' ' 30' ' ' LEU . 27.8 mt-10 -117.32 122.5 44.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.839 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 23' ' ' GLU . 8.3 t -33.44 129.45 0.28 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 -179.803 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.586 ' CD2' HG21 ' A' ' 80' ' ' VAL . 23.8 m-85 -68.14 100.25 0.99 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.869 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 43.1 p -97.73 138.57 34.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.112 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -82.95 38.51 0.59 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -134.47 -48.51 0.77 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.868 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 62.1 tp60 -126.05 -48.84 1.6 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.499 ' CD1' ' HB3' ' A' ' 23' ' ' GLU . 27.7 mt -96.73 73.41 2.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.911 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 84.6 mtm-85 -76.34 127.2 85.27 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.599 0.714 . . . . 0.0 110.877 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.651 ' HB3' HG21 ' A' ' 80' ' ' VAL . 53.5 Cg_endo -69.78 119.99 6.85 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.714 2.276 . . . . 0.0 112.301 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.514 ' HE3' HD11 ' A' ' 74' ' ' LEU . 15.3 mmmt -117.82 143.64 46.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.889 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.725 HD13 ' OD1' ' A' ' 77' ' ' ASN . 8.4 tp -111.2 122.45 47.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.437 HD21 ' CD1' ' A' ' 46' ' ' LEU . 95.4 mt -77.02 162.31 27.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.549 ' CD2' HG23 ' A' ' 66' ' ' THR . 21.3 m170 -62.38 -6.66 3.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.837 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.474 ' CB ' ' HD3' ' A' ' 64' ' ' LYS . 28.8 p -89.41 -47.71 7.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.697 ' O ' HD11 ' A' ' 34' ' ' LEU . . . 143.28 -29.26 2.05 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.514 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.487 ' O ' HD12 ' A' ' 34' ' ' LEU . 27.9 m170 -64.66 146.75 54.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.838 0.351 . . . . 0.0 110.843 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.547 ' OG1' HD13 ' A' ' 34' ' ' LEU . 99.1 m -108.98 131.72 54.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.142 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.498 HG23 ' SG ' ' A' ' 18' ' ' CYS . 52.2 mt -140.57 150.11 21.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.16 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.485 ' SG ' ' HB3' ' A' ' 44' ' ' GLN . 20.4 p -72.19 142.2 49.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.935 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.7 -33.0 3.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.485 ' HB3' ' SG ' ' A' ' 42' ' ' CYS . 4.9 tt0 -56.42 -56.99 14.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.486 ' HB2' ' CG2' ' A' ' 41' ' ' ILE . 56.4 m -63.5 -43.55 96.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.565 HD23 HD22 ' A' ' 71' ' ' LEU . 5.8 tp -59.34 -45.07 92.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.949 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.506 ' OE2' HD11 ' A' ' 71' ' ' LEU . 4.0 mm-40 -54.52 -46.33 73.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -55.1 -34.03 63.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.878 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.598 ' HB3' HG13 ' A' ' 57' ' ' VAL . 94.3 mt -81.27 -53.37 6.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.916 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.464 ' O ' ' C ' ' A' ' 51' ' ' ALA . 1.8 tt -53.7 -45.41 70.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.464 ' C ' ' O ' ' A' ' 50' ' ' LEU . . . -32.89 -68.03 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.095 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 24.5 m -68.76 -47.23 66.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.7 m -55.16 144.26 24.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.864 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 10.8 tt -127.69 -28.02 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.095 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -111.79 38.42 2.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 113.29 154.2 11.45 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.502 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.598 HG13 ' HB3' ' A' ' 49' ' ' LEU . 57.5 t -92.63 135.15 28.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.819 0.343 . . . . 0.0 111.161 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 27.3 ttp180 -91.99 114.56 27.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.458 ' O ' ' HA ' ' A' ' 63' ' ' SER . 35.7 t -64.97 126.18 90.65 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.615 0.721 . . . . 0.0 110.859 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 3.24 2.91 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.689 2.26 . . . . 0.0 112.316 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.527 ' CZ ' ' HB2' ' A' ' 19' ' ' PRO . 30.2 m-85 -110.83 -64.36 1.28 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 27.3 p -97.57 -22.39 16.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.458 ' HA ' ' O ' ' A' ' 59' ' ' CYS . 16.4 m 68.26 46.2 1.14 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.474 ' HD3' ' CB ' ' A' ' 37' ' ' CYS . 25.0 mtpp -103.59 91.31 3.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.87 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.429 ' C ' ' O ' ' A' ' 64' ' ' LYS . 44.8 mm -35.68 125.9 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.136 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.549 HG23 ' CD2' ' A' ' 36' ' ' HIS . 4.7 m -103.73 84.31 2.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.155 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 3.5 mpp_? -51.64 86.34 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.774 HD13 HD23 ' A' ' 74' ' ' LEU . 1.6 pt -145.31 108.36 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.134 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 6.7 t -64.37 -35.18 80.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.17 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 25.4 m -111.96 161.23 16.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.857 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.565 HD22 HD23 ' A' ' 46' ' ' LEU . 65.9 mt -70.25 -26.05 63.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.95 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 8.9 t -84.24 -24.96 29.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.191 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -49.71 -51.84 35.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.774 HD23 HD13 ' A' ' 68' ' ' ILE . 2.3 pp -52.65 -173.41 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 93.3 m -86.24 121.43 28.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.193 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -64.34 142.76 58.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.871 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.725 ' OD1' HD13 ' A' ' 34' ' ' LEU . 3.4 t30 -121.6 68.75 0.91 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.753 HD13 ' H ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -82.58 -8.99 59.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.925 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.563 ' N ' HD22 ' A' ' 78' ' ' LEU . 8.7 t -49.9 -42.93 49.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.123 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.651 HG21 ' HB3' ' A' ' 32' ' ' PRO . 31.5 m -67.34 -33.12 60.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.117 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 89.1 mt -70.37 -38.64 74.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 42.2 mmtt -53.63 153.99 4.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.912 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 42.8 t -123.2 86.59 2.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.855 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 118.93 143.92 7.28 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.435 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -47.37 0.94 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.678 2.252 . . . . 0.0 112.324 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 22.9 t -117.4 99.39 6.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.5 m -98.66 130.48 45.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.861 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 CA-C-O 119.139 -0.812 . . . . 0.0 112.507 -179.988 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.471 ' O ' ' N ' ' A' ' 17' ' ' GLU . 34.4 m . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.817 0.341 . . . . 0.0 111.064 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.473 ' O ' ' CD2' ' A' ' 25' ' ' PHE . 21.3 mt -38.31 -28.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 15' ' ' VAL . 3.2 mt-10 -104.37 161.72 13.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.454 ' O ' ' HA ' ' A' ' 22' ' ' MET . 52.4 t -72.89 135.1 80.75 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.652 0.739 . . . . 0.0 110.881 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -0.99 7.73 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.671 2.248 . . . . 0.0 112.328 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.471 HD11 HD13 ' A' ' 41' ' ' ILE . 62.5 mt -109.6 -74.48 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.136 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.418 ' SG ' ' HB3' ' A' ' 18' ' ' CYS . 5.2 p -73.83 -28.8 61.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.838 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.454 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 10.1 mtp 69.2 44.92 0.92 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -119.19 132.15 55.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.863 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.754 ' O ' HG23 ' A' ' 26' ' ' THR . 1.5 t -44.01 122.47 2.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.823 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.521 ' CG ' ' HB3' ' A' ' 32' ' ' PRO . 14.4 m-85 -56.82 101.26 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.918 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.754 HG23 ' O ' ' A' ' 24' ' ' SER . 1.6 p -109.99 112.4 24.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.168 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 28' ' ' GLU . 17.4 mt-10 -47.9 -49.3 30.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 27' ' ' GLU . 7.6 pt-20 -35.57 -48.42 0.51 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.893 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.614 HE22 HD23 ' A' ' 30' ' ' LEU . 0.8 OUTLIER -130.2 -72.04 0.58 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.924 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.614 HD23 HE22 ' A' ' 29' ' ' GLN . 15.3 mt -74.12 93.83 2.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 25.0 mtp180 -92.56 128.47 44.22 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.633 0.73 . . . . 0.0 110.857 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.585 ' HB3' HG21 ' A' ' 80' ' ' VAL . 53.7 Cg_endo -69.81 119.49 6.42 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.697 2.265 . . . . 0.0 112.297 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.8 mmmt -119.34 141.17 49.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.804 HD11 ' O ' ' A' ' 38' ' ' GLY . 6.7 tp -108.05 126.19 52.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.966 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.644 HD21 ' CD1' ' A' ' 46' ' ' LEU . 96.0 mt -81.55 162.58 23.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.508 ' CD2' HG23 ' A' ' 66' ' ' THR . 19.3 m170 -60.25 -8.78 2.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 29.0 p -88.57 -46.48 9.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.804 ' O ' HD11 ' A' ' 34' ' ' LEU . . . 140.89 -29.8 2.31 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.474 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.472 ' O ' HD12 ' A' ' 34' ' ' LEU . 30.4 m170 -63.49 145.11 56.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.853 0.359 . . . . 0.0 110.84 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.494 ' OG1' HD13 ' A' ' 34' ' ' LEU . 37.2 m -107.72 132.11 53.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.511 HG22 ' HB2' ' A' ' 45' ' ' CYS . 9.7 mt -140.87 148.17 22.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.114 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.442 ' SG ' ' HB3' ' A' ' 44' ' ' GLN . 17.0 p -71.47 133.52 45.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.415 ' HD2' ' N ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -38.88 -36.4 0.27 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.442 ' HB3' ' SG ' ' A' ' 42' ' ' CYS . 3.3 tt0 -52.9 -56.42 16.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.511 ' HB2' HG22 ' A' ' 41' ' ' ILE . 59.9 m -65.14 -42.3 93.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.644 ' CD1' HD21 ' A' ' 35' ' ' LEU . 5.6 tp -61.98 -33.94 75.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.533 ' OE2' HD11 ' A' ' 71' ' ' LEU . 4.2 mm-40 -63.96 -50.0 70.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -51.66 -36.39 46.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.953 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 92.6 mt -78.64 -53.21 7.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.497 ' HA ' HG22 ' A' ' 57' ' ' VAL . 2.3 tt -51.92 -46.7 64.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 50' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.093 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.497 HG22 ' HA ' ' A' ' 50' ' ' LEU . 97.6 t -93.89 131.45 40.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.766 0.317 . . . . 0.0 111.154 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 28.3 ttp180 -87.9 115.37 25.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.446 ' O ' ' HA ' ' A' ' 63' ' ' SER . 42.7 t -68.17 124.94 90.89 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.668 0.747 . . . . 0.0 110.895 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 3.66 2.67 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.672 2.248 . . . . 0.0 112.322 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -106.58 -62.32 1.41 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 24.9 p -102.43 -23.75 13.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.827 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.446 ' HA ' ' O ' ' A' ' 59' ' ' CYS . 3.7 t 74.98 43.43 0.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 27.9 mttm -102.1 94.22 5.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.879 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 33.5 mm -41.11 126.14 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.127 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.514 ' OG1' HD22 ' A' ' 35' ' ' LEU . 1.2 m -103.01 84.41 2.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.116 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 22.5 mmt85 -52.86 87.21 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.69 ' CD1' HD23 ' A' ' 74' ' ' LEU . 1.7 pt -149.72 116.92 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.112 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 15.2 t -72.73 -30.95 64.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.136 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.2 t -113.76 157.93 21.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.533 HD11 ' OE2' ' A' ' 47' ' ' GLU . 65.7 mt -68.79 -26.42 65.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.937 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 10.9 t -82.95 -24.41 33.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.139 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.509 ' HB3' HG22 ' A' ' 68' ' ' ILE . 0.6 OUTLIER -50.71 -55.52 16.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.873 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.69 HD23 ' CD1' ' A' ' 68' ' ' ILE . 2.2 pp -51.52 -175.1 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.918 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 58.0 m -83.26 126.28 32.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.151 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -68.72 151.38 46.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.818 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.796 ' OD1' HD13 ' A' ' 34' ' ' LEU . 3.0 t30 -125.9 68.4 1.18 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.947 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.758 ' H ' HD13 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -81.3 -5.01 57.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.97 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.503 ' N ' HD22 ' A' ' 78' ' ' LEU . 9.9 t -56.63 -39.92 74.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.162 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.585 HG21 ' HB3' ' A' ' 32' ' ' PRO . 21.2 m -67.13 -32.26 56.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.167 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 40.1 mt . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.878 179.959 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 33.7 m . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.868 0.366 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 29.4 mt -44.22 -23.06 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -107.81 150.62 26.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.917 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.483 ' SG ' HG23 ' A' ' 41' ' ' ILE . 52.0 t -67.29 135.09 93.33 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.659 0.743 . . . . 0.0 110.841 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.558 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 54.1 Cg_endo -69.78 -0.42 6.91 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.675 2.25 . . . . 0.0 112.359 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.413 HD12 ' HB3' ' A' ' 45' ' ' CYS . 50.0 mt -111.45 -75.42 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.142 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.407 ' SG ' ' HB3' ' A' ' 18' ' ' CYS . 8.0 p -73.16 -29.57 62.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.441 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 79.3 mmm 69.91 40.04 1.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.492 ' HB3' ' CD1' ' A' ' 30' ' ' LEU . 29.9 mt-10 -116.73 124.07 48.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 23' ' ' GLU . 5.9 t -35.11 133.33 0.32 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.848 -179.788 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.427 ' CG ' ' HB3' ' A' ' 32' ' ' PRO . 36.3 m-85 -70.67 108.44 4.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.896 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.416 ' C ' ' N ' ' A' ' 28' ' ' GLU . 12.6 p -111.63 109.67 19.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.155 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -45.04 -20.95 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.416 ' N ' ' C ' ' A' ' 26' ' ' THR . 20.9 tt0 -67.12 -47.06 72.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.913 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -128.93 -76.38 0.56 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.909 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.492 ' CD1' ' HB3' ' A' ' 23' ' ' GLU . 59.8 mt -65.42 75.6 0.06 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.927 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -72.85 121.29 84.64 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.591 0.71 . . . . 0.0 110.879 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.503 ' HB3' HG21 ' A' ' 80' ' ' VAL . 53.3 Cg_endo -69.81 107.6 1.9 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.669 2.246 . . . . 0.0 112.327 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -110.9 131.98 54.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.727 HD22 ' OD1' ' A' ' 77' ' ' ASN . 5.9 tp -94.72 124.5 38.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.9 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.59 HD21 ' CD1' ' A' ' 46' ' ' LEU . 47.6 mt -79.0 162.3 26.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.961 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 27.1 m170 -61.68 -8.25 4.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.506 ' CB ' ' SG ' ' A' ' 62' ' ' CYS . 24.3 p -89.38 -45.91 9.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.696 ' O ' HD11 ' A' ' 34' ' ' LEU . . . 140.08 -23.68 2.73 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.519 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.438 ' O ' HD12 ' A' ' 34' ' ' LEU . 25.2 m170 -68.41 144.28 54.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.901 0.381 . . . . 0.0 110.838 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.687 HG21 ' ND2' ' A' ' 77' ' ' ASN . 74.9 m -108.49 118.19 36.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.15 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.483 HG23 ' SG ' ' A' ' 18' ' ' CYS . 53.9 mt -127.51 150.51 33.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.1 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.442 ' SG ' ' HB3' ' A' ' 44' ' ' GLN . 17.5 p -72.33 138.64 47.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -44.94 -32.78 1.74 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.442 ' HB3' ' SG ' ' A' ' 42' ' ' CYS . 5.5 tt0 -56.75 -51.32 69.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.467 ' HB2' ' CG2' ' A' ' 41' ' ' ILE . 56.6 m -70.71 -37.55 73.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.59 ' CD1' HD21 ' A' ' 35' ' ' LEU . 6.1 tp -66.6 -34.14 77.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.462 ' CD ' HD11 ' A' ' 71' ' ' LEU . 4.5 mm-40 -65.03 -48.49 73.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.48 -36.5 61.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.921 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 72.9 mt -77.42 -52.41 9.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.91 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.421 ' O ' ' C ' ' A' ' 51' ' ' ALA . 1.2 tt -54.92 -39.66 69.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.952 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 50' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.42 HG11 HD12 ' A' ' 46' ' ' LEU . 60.5 t -134.84 116.72 21.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.828 0.347 . . . . 0.0 111.112 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.463 ' CZ ' ' HB3' ' A' ' 58' ' ' ARG . 19.6 ttp-105 -78.13 117.51 19.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.82 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.478 ' O ' ' HA ' ' A' ' 63' ' ' SER . 36.5 t -73.89 125.67 90.1 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.647 0.736 . . . . 0.0 110.883 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 4.38 2.2 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.666 2.244 . . . . 0.0 112.34 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.558 ' CZ ' ' HB2' ' A' ' 19' ' ' PRO . 29.7 m-85 -109.53 -55.97 2.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.506 ' SG ' ' CB ' ' A' ' 37' ' ' CYS . 26.3 p -111.26 -8.95 14.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.857 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.478 ' HA ' ' O ' ' A' ' 59' ' ' CYS . 74.9 m 52.3 51.36 16.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 71.7 mttt -113.09 97.2 6.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.922 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 44.2 mm -40.95 124.29 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.126 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.541 ' OG1' HD22 ' A' ' 35' ' ' LEU . 5.4 m -76.99 -30.6 56.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.175 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 5.5 mmt-85 64.03 54.69 1.65 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.924 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.78 HD13 ' HB3' ' A' ' 74' ' ' LEU . 1.1 pt -133.25 118.75 33.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.103 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 9.7 t -63.95 -39.79 94.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.196 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 45.6 m -107.05 179.68 4.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.563 HD22 HD23 ' A' ' 46' ' ' LEU . 19.9 mt -89.21 -40.59 12.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 8.0 t -71.24 -12.79 61.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.103 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.461 ' HB3' HG22 ' A' ' 68' ' ' ILE . 11.6 mm100 -64.04 -57.09 10.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.936 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.78 ' HB3' HD13 ' A' ' 68' ' ' ILE . 0.5 OUTLIER -52.45 179.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 34' ' ' LEU . 21.4 m -74.4 131.33 40.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.14 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -78.96 147.83 32.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.727 ' OD1' HD22 ' A' ' 34' ' ' LEU . 4.2 t30 -120.98 61.52 0.89 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.922 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.751 ' H ' HD13 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -74.9 -5.88 46.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.484 ' N ' HD22 ' A' ' 78' ' ' LEU . 9.9 t -54.53 -41.31 69.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.116 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.503 HG21 ' HB3' ' A' ' 32' ' ' PRO . 23.3 m -62.21 -35.77 70.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.156 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 42.8 mt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.95 179.926 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.4 m . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.866 0.365 . . . . 0.0 111.079 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.438 ' O ' ' CD2' ' A' ' 25' ' ' PHE . 20.5 mt -55.6 -18.14 7.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -107.42 153.37 22.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.902 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.446 ' O ' ' HA ' ' A' ' 22' ' ' MET . 53.9 t -66.58 136.29 94.79 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.638 0.732 . . . . 0.0 110.882 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.506 ' CD ' ' O ' ' A' ' 40' ' ' THR . 53.4 Cg_endo -69.77 0.5 5.56 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.636 2.224 . . . . 0.0 112.385 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 41.2 mt -115.12 -74.72 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.106 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 15.5 p -74.77 -26.13 59.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.446 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 16.3 mmt 63.86 52.47 2.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -120.38 129.56 53.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.789 ' O ' HG23 ' A' ' 26' ' ' THR . 65.5 p -41.79 105.09 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.77 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.459 ' CD2' HG21 ' A' ' 80' ' ' VAL . 17.9 m-85 -41.99 100.43 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.872 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.789 HG23 ' O ' ' A' ' 24' ' ' SER . 37.0 p -101.17 109.41 21.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.13 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -44.44 -38.3 3.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.94 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -45.82 -65.12 0.59 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.86 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 11.1 tp60 -116.67 -70.67 0.78 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.942 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 74.3 mt -65.86 75.44 0.08 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -80.73 128.58 71.38 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.586 0.708 . . . . 0.0 110.856 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.566 ' HB3' HG21 ' A' ' 80' ' ' VAL . 53.6 Cg_endo -69.75 119.59 6.52 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.651 2.234 . . . . 0.0 112.359 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm -121.8 132.57 54.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.875 HD11 ' O ' ' A' ' 38' ' ' GLY . 5.9 tp -96.47 132.74 41.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.699 HD21 ' CD1' ' A' ' 46' ' ' LEU . 63.4 mt -85.98 162.5 18.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.596 ' CD2' HG23 ' A' ' 66' ' ' THR . 19.0 m170 -58.48 -10.94 2.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.805 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.415 ' SG ' ' HB2' ' A' ' 35' ' ' LEU . 29.3 p -89.23 -47.29 8.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.858 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.875 ' O ' HD11 ' A' ' 34' ' ' LEU . . . 142.18 -29.37 2.18 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.507 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.427 ' O ' HD12 ' A' ' 34' ' ' LEU . 28.6 m170 -62.36 142.91 57.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.895 0.379 . . . . 0.0 110.847 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.52 ' OG1' HD13 ' A' ' 34' ' ' LEU . 87.9 m -104.58 131.93 51.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.167 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.541 HG22 ' HB2' ' A' ' 45' ' ' CYS . 10.6 mt -140.46 145.49 25.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.153 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.431 ' SG ' ' HB3' ' A' ' 44' ' ' GLN . 17.5 p -71.7 131.55 43.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 42' ' ' CYS . 2.3 ppt_? -37.38 -34.57 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.431 ' HB3' ' SG ' ' A' ' 42' ' ' CYS . 5.0 tt0 -56.7 -50.22 72.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.935 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.541 ' HB2' HG22 ' A' ' 41' ' ' ILE . 52.0 m -71.25 -40.17 71.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.699 ' CD1' HD21 ' A' ' 35' ' ' LEU . 6.1 tp -62.04 -41.0 97.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.892 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.725 ' OE1' HD21 ' A' ' 71' ' ' LEU . 4.5 mm-40 -55.85 -51.4 67.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -51.21 -36.67 42.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.526 HD13 ' O ' ' A' ' 58' ' ' ARG . 95.9 mt -75.52 -54.55 6.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.884 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.439 HD23 ' O ' ' A' ' 50' ' ' LEU . 2.2 tt -52.69 -35.3 55.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.124 179.79 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.414 ' HA3' ' CG2' ' A' ' 65' ' ' ILE . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 88.6 t -100.77 133.23 44.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.844 0.354 . . . . 0.0 111.106 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.526 ' O ' HD13 ' A' ' 49' ' ' LEU . 24.6 ttm180 -87.22 125.25 34.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.467 ' O ' ' HA ' ' A' ' 63' ' ' SER . 16.9 t -84.35 126.1 70.26 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.659 0.742 . . . . 0.0 110.916 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 3.82 2.57 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.696 2.264 . . . . 0.0 112.349 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -110.09 -63.5 1.37 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.401 ' SG ' ' CB ' ' A' ' 37' ' ' CYS . 22.3 p -99.04 -20.06 16.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.902 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.467 ' HA ' ' O ' ' A' ' 59' ' ' CYS . 5.3 p 65.73 43.05 3.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -103.06 100.74 10.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.9 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.414 ' CG2' ' HA3' ' A' ' 56' ' ' GLY . 48.5 mm -45.66 120.17 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.151 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.596 HG23 ' CD2' ' A' ' 36' ' ' HIS . 7.5 m -95.37 84.82 4.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 5.2 mmm180 -51.65 87.72 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.826 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.588 HG12 HG22 ' A' ' 66' ' ' THR . 1.3 pt -149.48 106.27 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.124 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 12.0 t -63.46 -29.31 70.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.155 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 50.3 m -112.73 165.87 11.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.725 HD21 ' OE1' ' A' ' 47' ' ' GLU . 91.2 mt -77.29 -28.76 53.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.906 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 8.7 t -83.42 -22.46 32.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.11 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.533 ' HB3' HG22 ' A' ' 68' ' ' ILE . 8.0 mm100 -50.8 -51.94 45.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.911 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.437 ' CA ' HG21 ' A' ' 68' ' ' ILE . 1.4 pp -52.59 -174.5 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.948 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 85.6 m -83.77 126.12 32.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.127 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -72.18 148.96 45.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.842 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.659 ' OD1' HD22 ' A' ' 34' ' ' LEU . 20.3 t30 -125.25 67.4 1.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.743 ' H ' HD13 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -78.98 12.47 2.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.938 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.3 t -76.63 -39.66 51.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.566 HG21 ' HB3' ' A' ' 32' ' ' PRO . 31.3 m -67.92 -26.91 35.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.151 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 87.3 mt . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 179.934 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 21.7 m . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.859 0.361 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 28.3 mt -47.5 -20.73 0.26 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -110.03 149.91 29.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.887 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.442 ' O ' ' HA ' ' A' ' 22' ' ' MET . 53.3 t -62.76 134.38 95.41 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.594 0.711 . . . . 0.0 110.904 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.485 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 54.0 Cg_endo -69.74 1.18 4.66 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.72 2.28 . . . . 0.0 112.336 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.488 HD12 ' HB3' ' A' ' 45' ' ' CYS . 25.4 mt -111.95 -74.59 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.158 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.414 ' SG ' ' HB3' ' A' ' 18' ' ' CYS . 6.0 p -73.77 -25.62 60.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.442 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 85.7 mmm 66.43 40.94 3.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.88 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -117.87 126.67 52.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.933 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.606 ' O ' HG23 ' A' ' 26' ' ' THR . 8.3 t -38.11 125.71 1.26 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 -179.743 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.565 ' CD2' HG21 ' A' ' 80' ' ' VAL . 29.3 m-85 -59.96 100.08 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.606 HG23 ' O ' ' A' ' 24' ' ' SER . 24.0 p -101.15 99.1 9.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.18 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 26' ' ' THR . 1.3 pp20? -36.95 -40.49 0.29 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -44.52 -59.87 2.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -118.28 -70.35 0.8 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.944 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 59.7 mt -69.67 82.91 0.43 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.938 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 56.1 mtm-85 -81.94 126.53 74.87 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.604 0.716 . . . . 0.0 110.897 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.603 ' HB3' HG21 ' A' ' 80' ' ' VAL . 53.9 Cg_endo -69.8 115.59 4.17 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.632 2.222 . . . . 0.0 112.389 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.444 ' NZ ' ' O ' ' A' ' 71' ' ' LEU . 14.2 mmmt -112.33 142.51 44.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.888 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.615 HD11 ' O ' ' A' ' 38' ' ' GLY . 6.7 tp -110.26 132.39 54.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.954 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.769 HD22 ' OG1' ' A' ' 66' ' ' THR . 90.3 mt -92.52 162.63 14.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.554 ' CD2' HG23 ' A' ' 66' ' ' THR . 19.0 m170 -60.85 -8.45 3.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 30.0 p -88.48 -43.18 11.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.615 ' O ' HD11 ' A' ' 34' ' ' LEU . . . 136.2 -30.65 2.7 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.454 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.406 ' CE1' ' HB3' ' A' ' 61' ' ' PHE . 23.1 m170 -61.1 141.17 57.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.847 0.356 . . . . 0.0 110.886 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.423 ' OG1' HD13 ' A' ' 34' ' ' LEU . 27.7 m -107.16 122.52 46.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.139 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.471 HG22 ' HB2' ' A' ' 45' ' ' CYS . 11.2 mt -130.7 148.22 33.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.1 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.443 ' SG ' ' HB3' ' A' ' 44' ' ' GLN . 16.8 p -72.13 148.66 45.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.4 ' HD2' ' C ' ' A' ' 43' ' ' ARG . 5.3 ppt_? -50.9 -36.64 39.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.443 ' HB3' ' SG ' ' A' ' 42' ' ' CYS . 6.0 tt0 -53.6 -51.87 61.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.488 ' HB3' HD12 ' A' ' 20' ' ' ILE . 76.8 m -72.75 -41.69 64.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.787 HD23 HD22 ' A' ' 71' ' ' LEU . 5.9 tp -61.09 -33.65 73.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.745 ' OE1' HD21 ' A' ' 71' ' ' LEU . 5.0 mm-40 -67.04 -49.69 64.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.928 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -50.62 -32.71 19.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.904 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 70.8 mt -84.08 -55.47 4.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.929 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.2 tt -50.0 -41.83 47.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.082 179.807 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.465 ' HA3' ' CG2' ' A' ' 65' ' ' ILE . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.486 -0.245 . . . . 0.0 112.486 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 60.5 t -87.49 130.65 36.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.824 0.345 . . . . 0.0 111.11 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.437 ' HB3' ' NH1' ' A' ' 58' ' ' ARG . 20.5 ttp-105 -91.29 116.93 29.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.824 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 63' ' ' SER . 33.3 t -71.82 121.16 83.75 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.637 0.732 . . . . 0.0 110.904 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 3.3 2.84 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.695 2.263 . . . . 0.0 112.349 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.485 ' CZ ' ' HB2' ' A' ' 19' ' ' PRO . 33.3 m-85 -104.46 -55.35 2.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 24.8 p -109.04 -22.97 11.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.85 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.415 ' HA ' ' O ' ' A' ' 59' ' ' CYS . 8.5 t 71.13 48.74 0.36 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.865 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 76.8 mttt -114.18 100.74 8.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.465 ' CG2' ' HA3' ' A' ' 56' ' ' GLY . 44.9 mm -45.45 124.34 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.148 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.769 ' OG1' HD22 ' A' ' 35' ' ' LEU . 7.5 m -76.91 -28.45 55.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.174 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 10.7 mmm180 60.99 53.29 3.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.776 ' CD1' HD23 ' A' ' 74' ' ' LEU . 1.8 pt -131.47 116.98 33.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.135 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 11.9 t -84.46 34.93 0.53 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.088 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.472 ' O ' HD12 ' A' ' 68' ' ' ILE . 2.9 m -175.68 151.71 1.2 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.842 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.787 HD22 HD23 ' A' ' 46' ' ' LEU . 59.7 mt -70.73 -23.5 62.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 13.2 t -87.72 -26.9 22.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.158 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 -51.31 -60.81 2.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.776 HD23 ' CD1' ' A' ' 68' ' ' ILE . 2.3 pp -51.31 -175.14 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.948 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 98.8 m -87.43 127.14 35.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.104 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -71.68 156.23 39.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -127.43 68.31 1.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.641 ' H ' HD13 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -85.02 16.26 3.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.4 t -83.36 -30.06 27.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.119 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.603 HG21 ' HB3' ' A' ' 32' ' ' PRO . 15.3 m -72.65 -26.9 24.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.085 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 74.1 mt . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.881 179.974 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.474 ' O ' ' N ' ' A' ' 17' ' ' GLU . 33.0 m . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.899 0.381 . . . . 0.0 111.128 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.9 mt -39.95 -25.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.913 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 15' ' ' VAL . 4.3 mt-10 -109.32 150.31 28.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.452 ' O ' ' HA ' ' A' ' 22' ' ' MET . 53.6 t -62.85 135.87 96.2 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.595 0.712 . . . . 0.0 110.85 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.58 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 53.6 Cg_endo -69.75 0.22 5.95 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.69 2.26 . . . . 0.0 112.329 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.558 HD11 HD13 ' A' ' 41' ' ' ILE . 47.6 mt -114.71 -74.06 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.122 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 20.8 p -75.82 -27.03 57.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.452 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 7.1 mmt 66.07 49.33 1.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.466 ' HB3' HD13 ' A' ' 30' ' ' LEU . 5.5 mm-40 -119.22 126.81 52.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 99.9 p -39.85 121.19 1.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.836 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.596 ' CD2' HG21 ' A' ' 80' ' ' VAL . 31.0 m-85 -59.84 106.69 0.52 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.887 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.71 ' O ' HD21 ' A' ' 81' ' ' LEU . 39.0 p -85.56 -174.44 5.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.146 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.436 ' HG2' HD22 ' A' ' 81' ' ' LEU . 2.3 mm-40 -96.4 -63.61 1.13 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -83.99 27.13 0.67 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.5 ' O ' ' C ' ' A' ' 30' ' ' LEU . 3.0 tp60 -173.38 171.35 4.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.568 ' CD2' ' NE2' ' A' ' 44' ' ' GLN . 25.5 mt 30.22 45.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.937 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.9 mtp85 -58.69 128.73 84.18 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.637 0.732 . . . . 0.0 110.877 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.539 ' HB3' HG21 ' A' ' 80' ' ' VAL . 53.6 Cg_endo -69.8 113.34 3.35 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.652 2.235 . . . . 0.0 112.359 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.403 ' NZ ' ' HB3' ' A' ' 71' ' ' LEU . 3.0 mmmm -112.28 130.55 55.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.664 HD11 ' O ' ' A' ' 38' ' ' GLY . 6.8 tp -97.76 132.75 43.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.583 HD22 ' OG1' ' A' ' 66' ' ' THR . 87.2 mt -91.49 162.61 14.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.914 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.539 ' CD2' HG23 ' A' ' 66' ' ' THR . 21.7 m170 -62.34 -6.95 3.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.401 ' SG ' ' HB2' ' A' ' 35' ' ' LEU . 29.9 p -88.92 -45.14 9.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.664 ' O ' HD11 ' A' ' 34' ' ' LEU . . . 139.33 -30.2 2.45 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.473 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.452 ' O ' HD12 ' A' ' 34' ' ' LEU . 26.4 m170 -64.24 144.21 57.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.847 0.356 . . . . 0.0 110.869 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.484 ' OG1' HD13 ' A' ' 34' ' ' LEU . 28.7 m -110.7 122.61 48.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.186 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.558 HD13 HD11 ' A' ' 20' ' ' ILE . 55.7 mt -131.15 152.26 37.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.134 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.446 ' SG ' ' HB3' ' A' ' 44' ' ' GLN . 16.3 p -72.03 147.51 46.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.528 ' HG3' ' N ' ' A' ' 44' ' ' GLN . 3.3 ptt180 -53.04 -32.19 45.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.568 ' NE2' ' CD2' ' A' ' 30' ' ' LEU . 6.7 tt0 -57.81 -45.07 86.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.922 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.489 ' HB2' ' CG2' ' A' ' 41' ' ' ILE . 92.7 m -79.81 -32.07 40.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.743 HD23 HD22 ' A' ' 71' ' ' LEU . 5.2 tp -70.27 -33.29 71.41 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.628 ' OE2' HD11 ' A' ' 71' ' ' LEU . 4.6 mm-40 -68.75 -45.91 70.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.88 -30.02 65.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.901 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 95.9 mt -85.37 -51.55 6.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.935 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.645 HD13 HD23 ' A' ' 71' ' ' LEU . 1.7 tt -53.32 -42.19 66.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.89 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.109 179.781 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.402 ' HA3' ' CG2' ' A' ' 65' ' ' ILE . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.471 HG22 ' HA ' ' A' ' 50' ' ' LEU . 86.1 t -135.35 113.65 15.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.797 0.332 . . . . 0.0 111.128 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.434 ' HB3' ' NH1' ' A' ' 58' ' ' ARG . 20.5 ttp-105 -73.74 118.49 16.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.451 ' O ' ' HA ' ' A' ' 63' ' ' SER . 35.4 t -71.41 127.99 90.57 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.614 0.721 . . . . 0.0 110.913 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 3.6 2.68 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.676 2.251 . . . . 0.0 112.343 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.58 ' CZ ' ' HB2' ' A' ' 19' ' ' PRO . 28.7 m-85 -112.9 -59.01 2.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 26.6 p -103.15 -18.93 14.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.451 ' HA ' ' O ' ' A' ' 59' ' ' CYS . 5.7 t 61.86 46.32 6.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.833 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 38.6 mttm -110.23 95.0 5.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.855 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.402 ' CG2' ' HA3' ' A' ' 56' ' ' GLY . 45.7 mm -37.73 124.75 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.154 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.583 ' OG1' HD22 ' A' ' 35' ' ' LEU . 18.1 m -77.41 -28.48 52.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 7.2 mmt180 64.88 54.84 1.26 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.659 ' CD1' HD23 ' A' ' 74' ' ' LEU . 1.1 pt -132.23 124.55 52.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.158 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.41 HG23 ' OE1' ' A' ' 73' ' ' GLN . 1.2 p -68.49 -46.39 69.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.131 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.2 p -104.29 173.29 6.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.743 HD22 HD23 ' A' ' 46' ' ' LEU . 15.8 mt -79.87 -41.4 26.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 11.2 t -68.23 -7.39 30.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.166 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.608 ' HB3' HG22 ' A' ' 68' ' ' ILE . 2.9 mt-30 -67.26 -61.55 1.86 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.659 HD23 ' CD1' ' A' ' 68' ' ' ILE . 1.7 pp -49.23 -179.53 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.466 ' O ' ' N ' ' A' ' 34' ' ' LEU . 85.7 m -77.5 135.5 38.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.171 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -82.43 150.6 27.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.464 ' ND2' HG22 ' A' ' 79' ' ' THR . 24.2 t-20 -124.36 67.25 1.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.868 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.705 ' H ' HD13 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -81.75 14.94 2.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.943 179.913 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.464 HG22 ' ND2' ' A' ' 77' ' ' ASN . 15.2 t -79.21 -31.21 43.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.118 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.596 HG21 ' CD2' ' A' ' 25' ' ' PHE . 18.7 m -78.37 -26.55 14.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.122 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.71 HD21 ' O ' ' A' ' 26' ' ' THR . 64.5 mt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 17' ' ' GLU . 34.1 m . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.837 0.351 . . . . 0.0 111.127 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 66.0 mt -41.21 -24.88 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.951 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 15' ' ' VAL . 9.7 mt-10 -106.1 152.52 23.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.884 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.457 ' O ' ' HA ' ' A' ' 22' ' ' MET . 53.3 t -68.04 135.89 91.78 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.641 0.734 . . . . 0.0 110.843 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.527 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 53.3 Cg_endo -69.8 0.45 5.66 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.693 2.262 . . . . 0.0 112.32 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.508 HD12 ' HB3' ' A' ' 45' ' ' CYS . 36.1 mt -113.81 -75.29 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.152 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 11.1 p -73.57 -26.91 61.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.879 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.457 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 7.8 mmt 67.54 43.13 1.96 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.896 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.42 ' HB3' ' CD1' ' A' ' 30' ' ' LEU . 28.0 mm-40 -117.64 126.85 53.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 23' ' ' GLU . 6.3 t -36.28 129.75 0.7 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.866 -179.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.602 ' CD2' HG21 ' A' ' 80' ' ' VAL . 15.4 m-85 -66.64 101.07 0.74 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.88 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 46.0 p -96.16 137.85 34.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.104 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -82.02 11.49 5.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -106.72 -43.86 4.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -126.63 -68.54 0.8 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.929 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.555 HD21 ' NE2' ' A' ' 44' ' ' GLN . 21.7 mt -78.76 82.03 5.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 38.1 mtp180 -81.15 128.32 71.11 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.596 0.713 . . . . 0.0 110.847 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.617 ' HB3' HG21 ' A' ' 80' ' ' VAL . 54.0 Cg_endo -69.72 121.58 8.27 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.714 2.276 . . . . 0.0 112.392 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.9 mmmt -119.11 136.92 53.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.928 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.604 HD11 ' O ' ' A' ' 38' ' ' GLY . 5.9 tp -104.69 128.17 52.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.473 HD21 ' CD1' ' A' ' 46' ' ' LEU . 70.8 mt -86.53 162.5 18.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.969 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.54 ' CD2' HG23 ' A' ' 66' ' ' THR . 22.3 m170 -62.27 -7.28 4.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.4 p -90.33 -44.13 9.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.604 ' O ' HD11 ' A' ' 34' ' ' LEU . . . 139.47 -32.14 2.27 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.492 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.405 ' ND1' ' HB2' ' A' ' 61' ' ' PHE . 23.4 m170 -60.92 140.86 57.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.87 0.367 . . . . 0.0 110.855 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.453 ' O ' ' CD ' ' A' ' 19' ' ' PRO . 4.5 m -107.54 119.59 39.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.126 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.504 HD13 HD11 ' A' ' 20' ' ' ILE . 45.1 mt -129.0 149.18 33.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.1 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.45 ' SG ' ' HB3' ' A' ' 44' ' ' GLN . 16.1 p -71.97 143.15 49.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.853 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.489 ' HG3' ' N ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -47.82 -36.92 12.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.555 ' NE2' HD21 ' A' ' 30' ' ' LEU . 12.4 tt0 -53.91 -47.17 71.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.508 ' HB3' HD12 ' A' ' 20' ' ' ILE . 58.0 m -76.13 -34.66 59.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.745 HD23 HD22 ' A' ' 71' ' ' LEU . 5.8 tp -67.02 -31.89 72.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -65.02 -47.21 78.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.14 -37.22 64.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.916 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 58.4 mt -79.22 -50.27 11.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.656 HD13 HD23 ' A' ' 71' ' ' LEU . 1.5 tt -58.54 -31.03 67.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.054 179.825 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.41 ' HA3' ' CG2' ' A' ' 65' ' ' ILE . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.439 HG11 HD12 ' A' ' 46' ' ' LEU . 89.5 t -117.16 101.89 12.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.778 0.323 . . . . 0.0 111.142 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 23.0 ttm180 -63.91 114.58 4.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.484 ' O ' ' N ' ' A' ' 63' ' ' SER . 18.8 t -68.43 124.23 89.42 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.579 0.704 . . . . 0.0 110.886 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 3.97 2.46 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.706 2.27 . . . . 0.0 112.352 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.527 ' CZ ' ' HB2' ' A' ' 19' ' ' PRO . 28.4 m-85 -110.87 -52.37 2.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 27.7 p -113.06 -11.73 13.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.484 ' N ' ' O ' ' A' ' 59' ' ' CYS . 63.6 m 53.86 51.69 14.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.827 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.467 ' O ' ' C ' ' A' ' 65' ' ' ILE . 49.0 mttm -114.77 88.42 2.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.467 ' C ' ' O ' ' A' ' 64' ' ' LYS . 29.3 mm -30.93 129.77 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.54 HG23 ' CD2' ' A' ' 36' ' ' HIS . 21.6 m -86.25 -27.25 24.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.124 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 20.5 mmt180 64.47 53.76 1.59 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.911 HD13 ' HB3' ' A' ' 74' ' ' LEU . 2.2 pt -134.59 105.34 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.153 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.573 HG22 ' NE2' ' A' ' 73' ' ' GLN . 5.8 t -61.68 -30.53 70.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.121 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.2 t -106.12 168.38 9.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.745 HD22 HD23 ' A' ' 46' ' ' LEU . 49.4 mt -85.37 -21.76 28.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.932 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 15.2 t -88.83 -24.93 22.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.166 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.573 ' NE2' HG22 ' A' ' 69' ' ' THR . 5.7 mt-30 -50.22 -52.91 31.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.911 ' HB3' HD13 ' A' ' 68' ' ' ILE . 2.4 pp -53.69 -174.21 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 86.9 m -88.14 123.83 33.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.196 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -68.93 153.18 44.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.874 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.453 ' OD1' HG22 ' A' ' 80' ' ' VAL . 22.8 t-20 -124.76 66.98 1.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.943 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.718 ' H ' HD13 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -80.98 12.87 3.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.7 t -79.69 -35.7 38.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.131 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.617 HG21 ' HB3' ' A' ' 32' ' ' PRO . 17.1 m -70.76 -23.94 24.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.121 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 21.8 mt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.95 179.97 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 28.2 m . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.889 0.376 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 27.6 mt -44.83 -23.17 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.965 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -112.04 140.81 46.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.462 ' O ' ' HA ' ' A' ' 22' ' ' MET . 53.5 t -55.07 135.77 67.64 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.635 0.731 . . . . 0.0 110.879 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.535 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 53.9 Cg_endo -69.73 0.18 6.0 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.744 2.296 . . . . 0.0 112.363 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 30.3 mt -113.41 -73.86 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.121 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.4 ' SG ' ' HB3' ' A' ' 18' ' ' CYS . 11.2 p -75.59 -26.71 58.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.877 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.462 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 14.9 mmt 66.41 51.54 1.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.844 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.442 ' HB3' ' CD1' ' A' ' 30' ' ' LEU . 15.4 mt-10 -121.08 135.0 55.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.866 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 24.3 p -44.7 130.44 7.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.53 ' CG ' ' HB3' ' A' ' 32' ' ' PRO . 28.8 m-85 -75.36 101.02 4.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.5 t -121.8 137.04 54.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.115 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -75.88 48.72 0.49 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -132.97 -44.04 0.87 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 42.0 tp60 -132.55 -35.48 1.13 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.941 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.442 ' CD1' ' HB3' ' A' ' 23' ' ' GLU . 4.7 mt -121.69 107.37 12.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.972 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 64.2 mtm180 -96.62 124.02 52.09 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.591 0.71 . . . . 0.0 110.883 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.53 ' HB3' ' CG ' ' A' ' 25' ' ' PHE . 53.9 Cg_endo -69.84 113.71 3.48 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.696 2.264 . . . . 0.0 112.332 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.8 mmmt -114.16 134.05 55.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.792 HD11 ' O ' ' A' ' 38' ' ' GLY . 5.7 tp -98.05 129.13 44.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.912 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.744 HD21 ' CD1' ' A' ' 46' ' ' LEU . 84.8 mt -85.36 162.64 18.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.939 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.449 ' CD2' HG23 ' A' ' 66' ' ' THR . 22.8 m170 -58.95 -10.12 2.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.463 ' CB ' ' HD2' ' A' ' 64' ' ' LYS . 28.9 p -89.16 -47.02 8.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.862 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.792 ' O ' HD11 ' A' ' 34' ' ' LEU . . . 141.05 -29.49 2.31 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.48 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 28.5 m170 -61.89 142.76 57.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.88 0.371 . . . . 0.0 110.837 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.507 ' O ' ' CD ' ' A' ' 19' ' ' PRO . 90.4 m -105.41 123.52 48.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.112 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.54 HG22 ' HB2' ' A' ' 45' ' ' CYS . 10.6 mt -130.87 146.11 34.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.112 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.468 ' SG ' ' HB3' ' A' ' 44' ' ' GLN . 19.0 p -71.46 135.81 47.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.413 ' HD3' ' C ' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -41.81 -31.49 0.32 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.84 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.468 ' HB3' ' SG ' ' A' ' 42' ' ' CYS . 5.1 tt0 -58.85 -50.25 74.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.54 ' HB2' HG22 ' A' ' 41' ' ' ILE . 63.6 m -72.44 -41.4 66.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.853 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.744 ' CD1' HD21 ' A' ' 35' ' ' LEU . 5.6 tp -63.46 -36.95 85.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.579 ' CD ' HD11 ' A' ' 71' ' ' LEU . 3.5 mm-40 -60.14 -49.69 76.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.66 -36.55 57.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 90.4 mt -77.33 -54.03 6.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.925 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.415 ' HA ' HG22 ' A' ' 57' ' ' VAL . 3.3 tt -52.38 -43.48 64.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.133 179.739 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.415 HG22 ' HA ' ' A' ' 50' ' ' LEU . 47.6 t -89.86 135.84 25.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.804 0.335 . . . . 0.0 111.12 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 56.3 ttp85 -94.01 118.24 31.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.43 ' O ' ' HA ' ' A' ' 63' ' ' SER . 34.4 t -71.89 127.2 90.99 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.624 0.726 . . . . 0.0 110.901 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 2.96 3.08 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.722 2.281 . . . . 0.0 112.281 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.535 ' CZ ' ' HB2' ' A' ' 19' ' ' PRO . 24.4 m-85 -109.74 -67.13 1.01 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.873 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 27.4 p -97.72 -21.09 17.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.865 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.43 ' HA ' ' O ' ' A' ' 59' ' ' CYS . 20.2 m 66.26 45.57 2.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.467 ' O ' ' C ' ' A' ' 65' ' ' ILE . 85.9 mttt -99.44 87.31 3.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.467 ' C ' ' O ' ' A' ' 64' ' ' LYS . 42.7 mm -32.52 125.68 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.134 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.449 HG23 ' CD2' ' A' ' 36' ' ' HIS . 0.8 OUTLIER -104.83 82.58 1.9 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.178 179.92 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.7 mpt_? -51.52 90.07 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.87 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.526 HG22 ' HB3' ' A' ' 73' ' ' GLN . 1.1 pt -151.73 106.98 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.111 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.467 ' N ' ' OE1' ' A' ' 73' ' ' GLN . 3.6 t -62.41 -36.94 83.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.152 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.6 t -107.05 161.17 14.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.657 ' CD2' HD23 ' A' ' 46' ' ' LEU . 27.6 mt -75.09 -26.47 59.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.959 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 7.0 t -85.07 -7.46 59.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.093 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.526 ' HB3' HG22 ' A' ' 68' ' ' ILE . 10.1 mt-30 -67.84 -53.94 22.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.917 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.496 ' C ' HD12 ' A' ' 74' ' ' LEU . 1.6 pp -53.78 -174.26 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.954 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 85.4 m -82.96 129.53 35.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.16 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.39 149.8 31.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.851 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.459 ' OD1' HD22 ' A' ' 34' ' ' LEU . 24.8 t30 -124.58 66.26 1.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.622 ' H ' HD13 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -82.12 19.67 1.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.2 t -84.94 -34.8 22.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.172 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.483 ' CG2' ' HG3' ' A' ' 32' ' ' PRO . 18.7 m -68.87 -34.94 67.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.133 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.526 HD23 ' O ' ' A' ' 25' ' ' PHE . 5.0 mt . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 17' ' ' GLU . 33.8 m . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.895 0.379 . . . . 0.0 111.154 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.48 ' O ' ' CD2' ' A' ' 25' ' ' PHE . 23.2 mt -41.46 -24.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.939 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 15' ' ' VAL . 4.2 mt-10 -106.0 135.61 47.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.454 ' O ' ' HA ' ' A' ' 22' ' ' MET . 53.8 t -51.53 136.66 32.78 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.611 0.719 . . . . 0.0 110.94 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.405 ' HD2' ' SG ' ' A' ' 18' ' ' CYS . 53.8 Cg_endo -69.81 0.41 5.72 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.677 2.251 . . . . 0.0 112.305 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.508 HD12 ' HB3' ' A' ' 45' ' ' CYS . 16.5 mt -114.3 -74.35 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.097 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.403 ' SG ' ' HB3' ' A' ' 18' ' ' CYS . 8.6 p -74.81 -25.84 59.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.867 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.454 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 3.9 mmt 63.08 45.53 5.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.432 ' HB3' ' CD1' ' A' ' 30' ' ' LEU . 23.4 mm-40 -114.66 126.33 54.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.713 ' O ' HG23 ' A' ' 26' ' ' THR . 31.8 p -37.13 103.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.89 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.557 ' CD2' HG11 ' A' ' 80' ' ' VAL . 17.0 m-85 -39.77 99.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.865 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.713 HG23 ' O ' ' A' ' 24' ' ' SER . 58.7 p -97.07 131.34 43.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.13 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -72.64 -18.11 61.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -70.21 -53.11 18.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -122.79 -70.62 0.77 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.432 ' CD1' ' HB3' ' A' ' 23' ' ' GLU . 34.0 mt -68.78 70.91 0.2 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 30.8 mtm105 -73.55 122.33 87.34 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.61 0.719 . . . . 0.0 110.895 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.533 ' HB3' ' CG ' ' A' ' 25' ' ' PHE . 53.9 Cg_endo -69.83 123.63 10.27 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.653 2.236 . . . . 0.0 112.351 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.463 ' HB3' HD11 ' A' ' 74' ' ' LEU . 0.4 OUTLIER -123.93 143.53 50.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 179.918 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.688 HD11 ' O ' ' A' ' 38' ' ' GLY . 6.7 tp -103.04 132.64 49.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.593 HD21 ' CD1' ' A' ' 46' ' ' LEU . 75.3 mt -88.22 162.84 16.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.826 ' CD2' HG23 ' A' ' 66' ' ' THR . 21.3 m170 -61.93 -7.47 3.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.832 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.401 ' SG ' ' HB2' ' A' ' 35' ' ' LEU . 26.6 p -89.28 -48.34 7.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.688 ' O ' HD11 ' A' ' 34' ' ' LEU . . . 142.31 -25.9 2.32 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.468 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.467 ' O ' HD12 ' A' ' 34' ' ' LEU . 30.2 m170 -69.28 146.84 51.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.855 0.359 . . . . 0.0 110.869 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.575 HG21 ' OD1' ' A' ' 77' ' ' ASN . 98.6 m -109.93 125.72 53.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.175 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.481 ' CG2' ' HB2' ' A' ' 45' ' ' CYS . 56.0 mt -134.38 150.91 31.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.089 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.461 ' SG ' ' HB3' ' A' ' 44' ' ' GLN . 19.3 p -74.84 145.51 42.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.891 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.4 ' HG3' ' N ' ' A' ' 44' ' ' GLN . 0.5 OUTLIER -47.07 -37.03 8.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.906 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.461 ' HB3' ' SG ' ' A' ' 42' ' ' CYS . 7.2 tt0 -53.41 -58.45 7.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.508 ' HB3' HD12 ' A' ' 20' ' ' ILE . 95.8 m -65.29 -42.19 93.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.767 HD21 HD21 ' A' ' 74' ' ' LEU . 5.2 tp -62.34 -28.64 69.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.91 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.874 ' OE2' HD11 ' A' ' 71' ' ' LEU . 5.3 mm-40 -69.67 -47.35 63.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -53.51 -34.69 59.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.853 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.438 ' CD1' ' HD3' ' A' ' 60' ' ' PRO . 95.1 mt -80.35 -54.22 5.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.906 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.495 HD13 HD23 ' A' ' 71' ' ' LEU . 1.4 tt -52.52 -43.86 65.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.941 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.111 179.766 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.415 ' HA3' HG23 ' A' ' 65' ' ' ILE . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.407 HG21 HD12 ' A' ' 50' ' ' LEU . 57.2 t -80.51 119.97 31.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.843 0.354 . . . . 0.0 111.093 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 41.3 ttt-85 -85.27 116.48 23.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.85 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.437 ' O ' ' HA ' ' A' ' 63' ' ' SER . 53.2 t -64.23 128.95 93.77 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.583 0.706 . . . . 0.0 110.917 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.438 ' HD3' ' CD1' ' A' ' 49' ' ' LEU . 53.7 Cg_endo -69.73 3.25 2.87 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.663 2.242 . . . . 0.0 112.327 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -115.59 -63.36 1.46 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.855 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 31.7 p -100.27 -12.5 19.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.437 ' HA ' ' O ' ' A' ' 59' ' ' CYS . 89.5 p 51.65 47.04 25.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.468 ' O ' ' C ' ' A' ' 65' ' ' ILE . 26.1 mtpt -100.12 87.82 3.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.892 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.468 ' C ' ' O ' ' A' ' 64' ' ' LYS . 44.4 mm -32.15 123.95 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.116 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.826 HG23 ' CD2' ' A' ' 36' ' ' HIS . 17.9 m -83.4 -29.02 28.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.124 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 8.5 mmt180 63.75 53.99 1.89 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.589 ' CD1' HD23 ' A' ' 74' ' ' LEU . 1.5 pt -123.3 156.86 29.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.105 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 12.3 t -122.62 31.69 6.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.092 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.407 ' C ' ' N ' ' A' ' 72' ' ' THR . 1.4 t -175.54 128.33 0.26 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.856 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.874 HD11 ' OE2' ' A' ' 47' ' ' GLU . 46.2 mt -43.68 -22.95 0.06 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.933 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.425 ' O ' ' C ' ' A' ' 73' ' ' GLN . 9.0 t -90.6 -38.13 13.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.177 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.472 ' HB3' HG22 ' A' ' 68' ' ' ILE . 11.6 mm100 -35.65 -59.85 0.54 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.767 HD21 HD21 ' A' ' 46' ' ' LEU . 1.9 pp -50.86 -175.35 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.916 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.427 HG22 ' N ' ' A' ' 76' ' ' ASP . 88.1 m -79.81 154.77 28.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.161 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.427 ' N ' HG22 ' A' ' 75' ' ' THR . 2.8 m-20 -98.29 154.75 17.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.879 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.695 ' OD1' HG13 ' A' ' 80' ' ' VAL . 27.9 t-20 -127.8 59.72 1.46 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.776 ' H ' HD13 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -72.49 2.42 6.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.952 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.433 ' N ' HD22 ' A' ' 78' ' ' LEU . 15.3 t -67.61 -36.03 80.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.208 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.695 HG13 ' OD1' ' A' ' 77' ' ' ASN . 34.1 m -68.37 -33.4 60.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.118 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 14.1 mt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.906 179.972 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 32.7 m . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.929 0.395 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.419 ' O ' ' CD2' ' A' ' 25' ' ' PHE . 16.6 mt -43.88 -27.72 0.38 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -104.19 157.44 17.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.926 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.433 ' O ' ' HA ' ' A' ' 22' ' ' MET . 54.1 t -69.62 135.38 88.24 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.66 0.743 . . . . 0.0 110.864 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.501 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 53.1 Cg_endo -69.81 0.67 5.35 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.698 2.265 . . . . 0.0 112.304 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.543 HD12 ' HB3' ' A' ' 45' ' ' CYS . 35.2 mt -112.1 -73.92 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.149 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 6.5 p -75.77 -28.69 58.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.859 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.433 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 82.2 mmm 69.08 45.13 0.93 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -116.59 124.03 48.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.702 ' O ' HG23 ' A' ' 26' ' ' THR . 58.4 p -39.66 105.19 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.823 -179.766 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.559 ' CD2' HG21 ' A' ' 80' ' ' VAL . 22.3 m-85 -35.79 98.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.872 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.702 HG23 ' O ' ' A' ' 24' ' ' SER . 30.6 p -97.11 98.21 9.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.165 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 26' ' ' THR . 2.2 tt0 -37.11 -39.44 0.25 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.924 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -46.66 -61.54 1.79 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.837 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -116.23 -73.01 0.66 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.943 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.8 mt -66.35 83.6 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.93 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 20.6 mtt85 -84.3 128.62 61.31 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.569 0.7 . . . . 0.0 110.915 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.534 ' HB3' HG21 ' A' ' 80' ' ' VAL . 53.8 Cg_endo -69.72 115.28 4.01 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.718 2.279 . . . . 0.0 112.363 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.474 ' CB ' HD22 ' A' ' 46' ' ' LEU . 14.0 mmmt -115.62 133.29 56.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.934 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.636 HD11 ' O ' ' A' ' 38' ' ' GLY . 5.9 tp -96.03 131.92 41.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 93.3 mt -88.57 162.09 16.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.446 ' CG ' HG23 ' A' ' 66' ' ' THR . 23.8 m170 -62.96 -6.98 4.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 27.9 p -89.36 -46.99 8.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.636 ' O ' HD11 ' A' ' 34' ' ' LEU . . . 142.59 -29.14 2.15 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.487 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.405 ' O ' HD12 ' A' ' 34' ' ' LEU . 31.0 m170 -67.58 145.8 54.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.888 0.375 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.454 ' OG1' HD13 ' A' ' 34' ' ' LEU . 67.2 m -108.11 127.78 54.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.485 HG22 ' HB2' ' A' ' 45' ' ' CYS . 26.6 mt -133.57 149.38 30.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.473 ' SG ' ' HB3' ' A' ' 44' ' ' GLN . 15.6 p -71.76 149.89 44.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.43 ' HG3' ' N ' ' A' ' 44' ' ' GLN . 4.7 ppt_? -51.97 -36.87 51.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.473 ' HB3' ' SG ' ' A' ' 42' ' ' CYS . 6.6 tt0 -54.02 -47.69 71.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.543 ' HB3' HD12 ' A' ' 20' ' ' ILE . 84.3 m -80.09 -37.72 33.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.743 HD21 HD21 ' A' ' 74' ' ' LEU . 11.4 tp -62.65 -33.68 75.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.946 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.971 ' OE2' HD11 ' A' ' 71' ' ' LEU . 5.9 mm-40 -69.02 -53.19 21.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.31 -32.24 47.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.941 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 89.4 mt -80.61 -42.46 22.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.915 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.439 ' HA ' HG22 ' A' ' 57' ' ' VAL . 1.9 tt -62.52 -40.11 95.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.937 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.176 179.751 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.439 HG22 ' HA ' ' A' ' 50' ' ' LEU . 46.2 t -113.58 113.81 45.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.858 0.361 . . . . 0.0 111.151 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 27.6 ttm180 -78.84 113.21 16.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.408 ' O ' ' HA ' ' A' ' 63' ' ' SER . 30.2 t -74.6 122.6 87.87 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.643 0.735 . . . . 0.0 110.894 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 2.22 3.7 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.703 2.269 . . . . 0.0 112.365 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.501 ' CZ ' ' HB2' ' A' ' 19' ' ' PRO . 26.9 m-85 -104.37 -56.33 2.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.841 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 22.1 p -105.98 -26.62 11.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.886 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.408 ' HA ' ' O ' ' A' ' 59' ' ' CYS . 6.3 t 72.57 44.67 0.38 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.882 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 65' ' ' ILE . 50.3 mttt -106.83 90.87 3.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.868 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.417 ' C ' ' O ' ' A' ' 64' ' ' LYS . 44.5 mm -36.7 121.94 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.13 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.446 HG23 ' CG ' ' A' ' 36' ' ' HIS . 1.5 m -98.16 83.01 3.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.146 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -59.88 83.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.584 HD13 ' HB3' ' A' ' 74' ' ' LEU . 0.8 OUTLIER -130.51 -40.15 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.157 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 54.27 32.5 16.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.155 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.505 ' HB3' ' CG ' ' A' ' 73' ' ' GLN . 0.5 OUTLIER -172.84 125.74 0.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.84 -179.848 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.971 HD11 ' OE2' ' A' ' 47' ' ' GLU . 43.1 mt -52.23 -36.84 53.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.942 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 10.0 t -78.64 -39.01 38.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.136 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.505 ' CG ' ' HB3' ' A' ' 70' ' ' SER . 5.2 mm100 -42.61 -63.44 0.78 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.743 HD21 HD21 ' A' ' 46' ' ' LEU . 0.8 OUTLIER -50.99 179.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.953 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.446 ' O ' ' N ' ' A' ' 34' ' ' LEU . 23.1 m -83.84 133.93 34.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.164 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -81.93 151.04 27.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.906 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.515 ' OD1' HG13 ' A' ' 80' ' ' VAL . 24.9 t-20 -117.57 67.28 0.74 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.762 ' H ' HD13 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -79.34 11.85 2.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.507 HG22 ' ND2' ' A' ' 77' ' ' ASN . 13.0 t -79.11 -29.75 43.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.174 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.559 HG21 ' CD2' ' A' ' 25' ' ' PHE . 17.3 m -73.33 -25.55 21.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.126 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 20.2 mt . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.906 179.972 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 31.6 m . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.803 0.335 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 24.1 mt -43.87 -23.75 0.1 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -108.81 159.44 16.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.479 ' O ' ' HA ' ' A' ' 22' ' ' MET . 54.0 t -72.71 135.03 81.21 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.606 0.717 . . . . 0.0 110.875 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.433 ' C ' ' HE2' ' A' ' 22' ' ' MET . 54.0 Cg_endo -69.7 1.06 4.73 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.712 2.274 . . . . 0.0 112.357 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.409 HD12 ' HB3' ' A' ' 45' ' ' CYS . 36.7 mt -112.48 -74.75 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.157 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 7.0 p -74.32 -23.84 59.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.479 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 6.0 mmt 67.81 49.28 0.95 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.453 ' HB3' HD13 ' A' ' 30' ' ' LEU . 9.7 mm-40 -123.07 140.88 52.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.894 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -51.9 137.06 27.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.6 ' CD2' HG11 ' A' ' 80' ' ' VAL . 22.4 m-85 -76.55 102.46 6.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -117.67 142.6 47.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.114 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.412 ' CD ' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -83.62 34.73 0.49 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -122.77 -45.38 2.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.882 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -128.09 -46.91 1.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.453 HD13 ' HB3' ' A' ' 23' ' ' GLU . 5.4 mt -113.65 89.76 3.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.885 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 23.5 mtp85 -82.21 130.02 61.45 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.575 0.702 . . . . 0.0 110.895 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.614 ' HB3' HG21 ' A' ' 80' ' ' VAL . 53.7 Cg_endo -69.72 129.36 17.5 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.679 2.253 . . . . 0.0 112.341 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.502 ' HE3' HD11 ' A' ' 74' ' ' LEU . 17.6 mmmt -130.93 133.32 45.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.847 HD11 ' O ' ' A' ' 38' ' ' GLY . 6.8 tp -100.72 129.89 46.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.865 HD21 HD11 ' A' ' 46' ' ' LEU . 91.1 mt -85.3 162.48 19.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.632 ' CD2' HG23 ' A' ' 66' ' ' THR . 16.3 m170 -58.62 -10.26 2.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.848 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.445 ' CB ' ' SG ' ' A' ' 62' ' ' CYS . 27.6 p -88.62 -47.1 8.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.902 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.847 ' O ' HD11 ' A' ' 34' ' ' LEU . . . 140.88 -28.11 2.41 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.526 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.458 ' CE1' ' HB3' ' A' ' 61' ' ' PHE . 28.6 m170 -63.02 143.08 58.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.92 0.39 . . . . 0.0 110.829 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.507 ' OG1' HD13 ' A' ' 34' ' ' LEU . 89.3 m -106.28 123.4 47.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.151 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.583 HG22 ' HB2' ' A' ' 45' ' ' CYS . 8.1 mt -131.82 146.82 32.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.127 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.443 ' SG ' ' HB3' ' A' ' 44' ' ' GLN . 17.0 p -71.07 137.4 48.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.891 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.405 ' HD2' ' C ' ' A' ' 43' ' ' ARG . 0.7 OUTLIER -42.75 -32.99 0.66 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.93 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.443 ' HB3' ' SG ' ' A' ' 42' ' ' CYS . 4.5 tt0 -58.43 -47.22 84.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.583 ' HB2' HG22 ' A' ' 41' ' ' ILE . 55.4 m -75.9 -38.4 57.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.842 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.865 HD11 HD21 ' A' ' 35' ' ' LEU . 5.5 tp -63.86 -40.64 97.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.423 ' CD ' HD11 ' A' ' 71' ' ' LEU . 4.3 mm-40 -56.79 -49.7 74.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.404 ' HD3' ' O ' ' A' ' 44' ' ' GLN . 1.1 mptm? -52.33 -36.82 54.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.401 ' CB ' HG13 ' A' ' 57' ' ' VAL . 80.2 mt -76.87 -51.91 10.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.457 ' HA ' HG22 ' A' ' 57' ' ' VAL . 4.0 tt -52.68 -40.36 62.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.087 179.78 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.457 HG22 ' HA ' ' A' ' 50' ' ' LEU . 60.0 t -120.44 112.84 38.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.836 0.351 . . . . 0.0 111.143 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -72.72 119.86 17.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.412 ' O ' ' HA ' ' A' ' 63' ' ' SER . 49.5 t -79.54 125.94 81.76 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.627 0.727 . . . . 0.0 110.906 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 2.76 3.25 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.664 2.243 . . . . 0.0 112.376 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.458 ' HB3' ' CE1' ' A' ' 39' ' ' HIS . 27.9 m-85 -106.45 -62.52 1.38 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.445 ' SG ' ' CB ' ' A' ' 37' ' ' CYS . 25.5 p -104.24 -21.44 13.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.412 ' HA ' ' O ' ' A' ' 59' ' ' CYS . 19.4 m 67.49 49.53 1.0 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.477 ' O ' ' C ' ' A' ' 65' ' ' ILE . 61.1 mttt -105.37 87.54 2.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.852 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.477 ' C ' ' O ' ' A' ' 64' ' ' LYS . 48.7 mm -31.81 120.15 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.125 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.632 HG23 ' CD2' ' A' ' 36' ' ' HIS . 4.3 m -98.77 88.42 4.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.447 ' O ' HG23 ' A' ' 68' ' ' ILE . 2.7 mpt_? -57.32 92.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.865 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.983 HD13 ' HB3' ' A' ' 74' ' ' LEU . 3.0 pt -156.07 108.49 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.152 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.607 HG22 ' OE1' ' A' ' 73' ' ' GLN . 9.4 t -67.54 -25.92 66.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.104 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.2 t -113.83 163.08 15.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.482 ' CD2' HD23 ' A' ' 46' ' ' LEU . 47.1 mt -76.74 -26.87 55.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.952 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 8.8 t -84.58 -21.56 30.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.127 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.607 ' OE1' HG22 ' A' ' 69' ' ' THR . 7.3 mt-30 -53.77 -50.49 65.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.983 ' HB3' HD13 ' A' ' 68' ' ' ILE . 0.6 OUTLIER -56.76 -174.86 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.408 ' O ' ' N ' ' A' ' 34' ' ' LEU . 91.1 m -83.72 124.81 31.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.157 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -72.87 152.91 41.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.877 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.75 ' OD1' HD22 ' A' ' 34' ' ' LEU . 6.3 t30 -130.47 64.47 1.55 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.758 ' H ' HD13 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -75.04 -9.95 59.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.93 179.923 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.544 ' N ' HD22 ' A' ' 78' ' ' LEU . 10.0 t -51.09 -45.78 61.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.183 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.614 HG21 ' HB3' ' A' ' 32' ' ' PRO . 19.0 m -61.19 -33.32 55.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.661 HD12 ' HA ' ' A' ' 78' ' ' LEU . 7.6 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' A' ' 17' ' ' GLU . 34.6 m . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.863 0.363 . . . . 0.0 111.163 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.6 mt -40.32 -26.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.919 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 15' ' ' VAL . 10.8 mt-10 -105.77 147.28 28.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.444 ' O ' ' HA ' ' A' ' 22' ' ' MET . 51.7 t -67.82 135.82 92.29 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.621 0.724 . . . . 0.0 110.867 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.542 ' HA ' ' HE1' ' A' ' 22' ' ' MET . 53.9 Cg_endo -69.77 1.3 4.56 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.672 2.248 . . . . 0.0 112.321 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 37.4 mt -114.94 -74.81 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.171 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.413 ' SG ' ' HB3' ' A' ' 18' ' ' CYS . 14.6 p -73.97 -25.32 59.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.902 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.542 ' HE1' ' HA ' ' A' ' 19' ' ' PRO . 12.6 mmt 64.17 46.73 3.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.402 ' CB ' HD13 ' A' ' 30' ' ' LEU . 24.6 mt-10 -119.21 123.08 43.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.904 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 19.8 m -43.35 109.58 0.15 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.5 ' CD2' HG21 ' A' ' 80' ' ' VAL . 35.1 m-85 -44.77 118.77 1.71 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.879 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.428 ' O ' HD21 ' A' ' 81' ' ' LEU . 1.3 p -94.33 -174.63 3.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.118 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -78.65 -36.8 43.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.463 ' O ' ' C ' ' A' ' 29' ' ' GLN . 6.3 mp0 -130.94 -61.13 0.95 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.463 ' C ' ' O ' ' A' ' 28' ' ' GLU . 29.0 tp60 -32.01 -61.03 0.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.944 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.605 HD21 ' NE2' ' A' ' 44' ' ' GLN . 9.7 mt -129.65 80.62 1.97 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.8 mmt180 -72.63 131.62 84.24 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.629 0.728 . . . . 0.0 110.885 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.61 ' HB3' HG21 ' A' ' 80' ' ' VAL . 53.4 Cg_endo -69.74 138.46 37.93 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.756 2.304 . . . . 0.0 112.322 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.572 ' HE3' HD11 ' A' ' 74' ' ' LEU . 20.2 mmmt -134.52 134.88 41.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.884 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.725 HD11 ' O ' ' A' ' 38' ' ' GLY . 7.4 tp -105.1 126.18 51.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.936 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.683 HD21 ' CD1' ' A' ' 46' ' ' LEU . 93.5 mt -82.81 162.53 21.64 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.559 ' CD2' HG23 ' A' ' 66' ' ' THR . 14.9 m170 -61.25 -7.62 3.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.463 ' CB ' ' SG ' ' A' ' 62' ' ' CYS . 30.2 p -89.66 -46.63 8.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.725 ' O ' HD11 ' A' ' 34' ' ' LEU . . . 142.52 -30.98 2.06 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.491 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.482 ' O ' HD12 ' A' ' 34' ' ' LEU . 28.1 m170 -61.85 145.83 51.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.892 0.377 . . . . 0.0 110.882 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.536 ' OG1' HD13 ' A' ' 34' ' ' LEU . 86.1 m -109.61 122.71 48.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.136 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.532 HG22 ' HB2' ' A' ' 45' ' ' CYS . 13.8 mt -131.91 147.18 32.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.16 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.448 ' SG ' ' HB3' ' A' ' 44' ' ' GLN . 19.5 p -71.77 143.17 49.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.921 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 5.2 ppt_? -46.12 -35.62 5.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.605 ' NE2' HD21 ' A' ' 30' ' ' LEU . 7.4 tt0 -54.62 -52.92 60.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.912 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.532 ' HB2' HG22 ' A' ' 41' ' ' ILE . 68.8 m -70.4 -44.54 67.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.687 HD23 HD22 ' A' ' 71' ' ' LEU . 4.8 tp -58.3 -38.85 77.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.492 ' OE2' HD11 ' A' ' 71' ' ' LEU . 4.2 mm-40 -59.46 -54.14 50.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.16 -38.48 5.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.913 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.651 HD13 ' O ' ' A' ' 58' ' ' ARG . 71.0 mt -78.64 -56.9 4.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.64 ' HA ' HG22 ' A' ' 57' ' ' VAL . 2.6 tt -45.96 -30.34 1.75 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.945 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.124 179.828 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.64 HG22 ' HA ' ' A' ' 50' ' ' LEU . 83.4 t -123.82 103.71 13.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.887 0.375 . . . . 0.0 111.15 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.651 ' O ' HD13 ' A' ' 49' ' ' LEU . 23.2 ttt180 -61.75 135.55 57.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.865 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.453 ' O ' ' HA ' ' A' ' 63' ' ' SER . 49.7 t -89.25 130.91 42.33 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.689 0.756 . . . . 0.0 110.868 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 3.6 2.68 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.683 2.255 . . . . 0.0 112.338 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.447 ' CZ ' ' HB2' ' A' ' 19' ' ' PRO . 35.6 m-85 -115.23 -67.39 1.0 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.463 ' SG ' ' CB ' ' A' ' 37' ' ' CYS . 27.3 p -96.44 -15.38 21.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.453 ' HA ' ' O ' ' A' ' 59' ' ' CYS . 18.1 p 59.25 43.93 16.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.895 -179.789 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.5 ' O ' ' C ' ' A' ' 65' ' ' ILE . 8.1 mtpm? -97.49 86.77 3.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.5 ' C ' ' O ' ' A' ' 64' ' ' LYS . 42.8 mm -29.97 120.38 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.137 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.559 HG23 ' CD2' ' A' ' 36' ' ' HIS . 2.2 m -98.0 85.71 3.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.101 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.17 91.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.483 HD13 ' CG ' ' A' ' 74' ' ' LEU . 1.4 pt -154.65 111.83 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.116 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.6 t -68.04 -29.26 68.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.155 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -115.05 158.52 21.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.855 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.687 HD22 HD23 ' A' ' 46' ' ' LEU . 86.5 mt -68.33 -32.3 72.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.926 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 14.7 t -78.62 -28.23 45.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.188 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.418 ' HB3' HG22 ' A' ' 68' ' ' ILE . 6.9 mm100 -45.15 -56.06 5.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.941 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.572 HD11 ' HE3' ' A' ' 33' ' ' LYS . 1.0 OUTLIER -55.22 -174.25 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.43 ' O ' ' N ' ' A' ' 34' ' ' LEU . 94.5 m -82.84 125.3 31.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -76.88 152.09 35.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.408 ' OD1' HG22 ' A' ' 80' ' ' VAL . 25.3 t-20 -122.86 66.8 0.96 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.873 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.676 ' H ' HD13 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -80.97 14.27 2.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.944 179.92 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.9 t -82.42 -27.94 31.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.61 HG21 ' HB3' ' A' ' 32' ' ' PRO . 16.0 m -76.77 -30.35 18.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.088 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.428 HD21 ' O ' ' A' ' 26' ' ' THR . 95.7 mt . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.933 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.2 m . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.861 0.362 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 14.5 mt -50.83 -26.85 6.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -109.05 149.14 29.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.461 ' SG ' HG23 ' A' ' 41' ' ' ILE . 52.9 t -62.35 135.22 95.14 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.599 0.714 . . . . 0.0 110.868 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.472 ' HG2' ' CE2' ' A' ' 61' ' ' PHE . 53.8 Cg_endo -69.77 -0.75 7.38 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.703 2.268 . . . . 0.0 112.366 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.477 HD11 HD13 ' A' ' 41' ' ' ILE . 54.4 mt -112.26 -74.51 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.403 ' SG ' ' HB3' ' A' ' 18' ' ' CYS . 13.0 p -74.59 -29.22 61.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.442 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 17.0 mmt 67.51 47.08 1.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 24' ' ' SER . 16.9 mt-10 -119.9 122.0 40.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.93 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 23' ' ' GLU . 6.2 m -34.67 133.3 0.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.786 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.508 ' CG ' ' HB3' ' A' ' 32' ' ' PRO . 35.5 m-85 -72.85 106.64 4.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.903 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.0 t -112.71 141.92 45.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.154 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.724 ' CD ' HD13 ' A' ' 81' ' ' LEU . 8.2 mt-10 -84.95 42.14 0.91 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -131.92 -43.26 0.99 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -130.83 -54.19 1.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.415 HD11 ' OE1' ' A' ' 23' ' ' GLU . 14.2 mt -99.66 97.3 8.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.1 mmm180 -92.31 130.39 37.8 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.596 0.713 . . . . 0.0 110.835 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.646 ' HB3' HG21 ' A' ' 80' ' ' VAL . 53.4 Cg_endo -69.79 125.36 12.05 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.723 2.282 . . . . 0.0 112.318 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.585 ' HE3' HD11 ' A' ' 74' ' ' LEU . 19.6 mmmt -124.8 135.84 53.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.923 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.739 HD11 ' O ' ' A' ' 38' ' ' GLY . 6.1 tp -101.23 135.6 42.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.603 HD21 ' CD1' ' A' ' 46' ' ' LEU . 71.5 mt -91.47 162.55 14.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.502 ' CE1' ' O ' ' A' ' 66' ' ' THR . 32.0 m170 -60.88 -9.49 4.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.829 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 28.1 p -89.86 -44.06 10.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.739 ' O ' HD11 ' A' ' 34' ' ' LEU . . . 139.2 -30.51 2.43 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.518 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.428 ' O ' HD12 ' A' ' 34' ' ' LEU . 26.5 m170 -61.15 142.85 56.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.852 0.358 . . . . 0.0 110.832 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.499 HG21 ' OD1' ' A' ' 77' ' ' ASN . 86.1 m -106.58 129.77 54.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.12 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.61 HD11 ' CE2' ' A' ' 61' ' ' PHE . 13.3 mt -139.1 150.15 23.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.158 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.427 ' SG ' ' HB3' ' A' ' 44' ' ' GLN . 17.0 p -73.49 144.05 46.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.403 ' HG3' ' N ' ' A' ' 44' ' ' GLN . 2.0 ppt_? -46.99 -37.84 9.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.841 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.427 ' HB3' ' SG ' ' A' ' 42' ' ' CYS . 5.2 tt0 -52.15 -53.75 39.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.468 ' HB2' ' CG2' ' A' ' 41' ' ' ILE . 74.0 m -70.55 -40.6 73.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.774 HD23 HD22 ' A' ' 71' ' ' LEU . 5.9 tp -62.78 -30.15 71.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.531 ' CD ' HD11 ' A' ' 71' ' ' LEU . 4.8 mm-40 -69.37 -50.57 44.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.16 -31.38 42.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 81.5 mt -80.04 -46.78 15.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.93 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.8 tt -60.82 -41.02 94.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.943 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.146 179.748 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.428 ' HA3' ' CG2' ' A' ' 65' ' ' ILE . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 54.2 t -96.71 120.61 46.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.821 0.344 . . . . 0.0 111.184 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 56.3 ttm-85 -83.27 115.14 21.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.48 ' SG ' HD12 ' A' ' 35' ' ' LEU . 14.3 t -74.77 119.41 76.62 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.627 0.727 . . . . 0.0 110.891 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 4.14 2.39 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.722 2.281 . . . . 0.0 112.309 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.61 ' CE2' HD11 ' A' ' 41' ' ' ILE . 25.4 m-85 -103.42 -53.56 2.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.848 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 20.5 p -108.55 -15.28 14.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 59' ' ' CYS . 4.5 p 67.4 35.84 4.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.824 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.3 mtpt -107.98 125.04 51.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.856 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.428 ' CG2' ' HA3' ' A' ' 56' ' ' GLY . 29.7 mm -69.47 125.73 28.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.129 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.502 ' O ' ' CE1' ' A' ' 36' ' ' HIS . 4.8 m -73.26 -32.87 64.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 8.2 mmm180 64.44 54.96 1.43 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.839 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.559 ' CD1' HD23 ' A' ' 74' ' ' LEU . 0.9 OUTLIER -127.53 134.16 66.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.158 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 8.8 t -98.88 26.54 5.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.161 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.558 ' OG ' HG22 ' A' ' 72' ' ' THR . 10.6 t -172.63 149.97 2.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.774 HD22 HD23 ' A' ' 46' ' ' LEU . 73.6 mt -64.12 -34.62 78.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.927 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.558 HG22 ' OG ' ' A' ' 70' ' ' SER . 10.0 t -80.78 -20.34 42.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.419 ' CD ' HG22 ' A' ' 68' ' ' ILE . 0.0 OUTLIER -55.91 -62.92 1.37 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.666 HD21 HD21 ' A' ' 46' ' ' LEU . 1.3 pp -50.24 -176.55 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 34.3 m -84.25 135.46 34.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.161 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -79.05 160.42 27.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.847 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.525 ' O ' HG22 ' A' ' 80' ' ' VAL . 28.8 t-20 -128.68 65.58 1.42 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.7 ' H ' HD13 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -80.91 9.57 6.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.2 t -79.13 -18.99 52.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.646 HG21 ' HB3' ' A' ' 32' ' ' PRO . 11.7 m -82.27 -21.03 9.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.724 HD13 ' CD ' ' A' ' 27' ' ' GLU . 28.5 mt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.948 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.468 ' O ' ' N ' ' A' ' 17' ' ' GLU . 33.9 m . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.855 0.36 . . . . 0.0 111.135 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 39.2 mt -40.5 -24.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 15' ' ' VAL . 3.6 mt-10 -108.29 161.72 14.75 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.451 ' O ' ' HA ' ' A' ' 22' ' ' MET . 53.3 t -78.4 135.61 61.09 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.594 0.711 . . . . 0.0 110.908 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.575 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 53.9 Cg_endo -69.72 -0.71 7.27 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.73 2.287 . . . . 0.0 112.371 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.517 HD12 ' HB3' ' A' ' 45' ' ' CYS . 28.9 mt -110.73 -74.56 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.133 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.7 p -75.29 -31.06 60.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.451 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 33.8 mmm 74.94 46.16 0.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.477 ' HB3' HD13 ' A' ' 30' ' ' LEU . 25.0 mm-40 -118.89 131.95 56.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.928 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.2 t -50.2 129.52 21.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.845 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.526 ' CD2' HG11 ' A' ' 80' ' ' VAL . 26.4 m-85 -66.21 111.41 3.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.4 p -98.89 147.87 24.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -63.9 -29.62 70.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.859 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -81.43 -69.73 0.59 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.431 ' O ' ' C ' ' A' ' 30' ' ' LEU . 3.4 tt0 -105.23 -175.37 2.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.477 HD13 ' HB3' ' A' ' 23' ' ' GLU . 23.3 mt 35.02 39.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.959 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.72 134.54 27.16 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.594 0.712 . . . . 0.0 110.892 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.892 ' HB3' HG21 ' A' ' 80' ' ' VAL . 53.6 Cg_endo -69.77 133.16 24.89 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.694 2.263 . . . . 0.0 112.36 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.408 ' HE3' HD11 ' A' ' 74' ' ' LEU . 16.1 mmmt -135.2 135.69 41.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.861 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.615 HD11 ' O ' ' A' ' 38' ' ' GLY . 5.5 tp -105.42 135.46 46.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.941 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.616 HD21 ' CD1' ' A' ' 46' ' ' LEU . 71.7 mt -94.46 162.48 13.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.746 ' CD2' HG23 ' A' ' 66' ' ' THR . 25.0 m170 -60.8 -8.42 3.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.504 ' CB ' ' SG ' ' A' ' 62' ' ' CYS . 29.8 p -89.61 -46.55 8.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.903 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.615 ' O ' HD11 ' A' ' 34' ' ' LEU . . . 141.17 -30.49 2.24 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.519 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.433 ' O ' HD12 ' A' ' 34' ' ' LEU . 29.3 m170 -62.92 147.02 51.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.869 0.366 . . . . 0.0 110.819 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.482 ' OG1' HD13 ' A' ' 34' ' ' LEU . 24.2 m -113.65 117.63 32.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.201 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.509 ' CG2' ' HB2' ' A' ' 45' ' ' CYS . 44.9 mt -121.44 151.05 24.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.153 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.452 ' SG ' ' HB3' ' A' ' 44' ' ' GLN . 19.3 p -72.6 138.93 47.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.542 ' HG3' ' N ' ' A' ' 44' ' ' GLN . 3.7 ptt180 -44.69 -31.68 1.26 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.542 ' N ' ' HG3' ' A' ' 43' ' ' ARG . 6.6 tt0 -59.06 -52.95 63.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.517 ' HB3' HD12 ' A' ' 20' ' ' ILE . 69.4 m -70.6 -37.87 73.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.633 HD23 HD22 ' A' ' 71' ' ' LEU . 5.6 tp -63.01 -43.27 99.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -56.36 -49.24 74.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.415 ' HD3' ' O ' ' A' ' 44' ' ' GLN . 2.5 mptp? -55.74 -29.59 59.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 77.6 mt -80.64 -51.18 9.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.7 tt -59.44 -40.16 85.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 179.772 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.466 ' HA3' ' CG2' ' A' ' 65' ' ' ILE . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 84.7 t -91.32 114.43 28.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.777 0.322 . . . . 0.0 111.113 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 35.9 ttt180 -78.68 113.54 16.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.459 ' O ' ' HA ' ' A' ' 63' ' ' SER . 43.7 t -66.07 126.26 91.58 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.636 0.731 . . . . 0.0 110.875 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 4.01 2.46 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.725 2.283 . . . . 0.0 112.354 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.575 ' CZ ' ' HB2' ' A' ' 19' ' ' PRO . 38.6 m-85 -107.93 -60.28 1.73 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.504 ' SG ' ' CB ' ' A' ' 37' ' ' CYS . 22.2 p -104.04 -16.35 15.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.459 ' HA ' ' O ' ' A' ' 59' ' ' CYS . 19.0 m 58.65 51.6 7.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.867 -179.799 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.453 ' O ' ' C ' ' A' ' 65' ' ' ILE . 91.7 mttt -113.55 90.1 3.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.466 ' CG2' ' HA3' ' A' ' 56' ' ' GLY . 45.3 mm -33.25 124.73 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.746 HG23 ' CD2' ' A' ' 36' ' ' HIS . 11.7 m -83.56 -29.12 28.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.128 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.5 mmt180 63.93 55.03 1.64 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.778 HD13 ' HB3' ' A' ' 74' ' ' LEU . 2.5 pt -129.57 113.21 26.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.155 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.444 HG23 ' H ' ' A' ' 69' ' ' THR . 1.2 p -61.25 -41.37 96.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.139 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.8 p -110.31 -179.56 3.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.839 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.633 HD22 HD23 ' A' ' 46' ' ' LEU . 27.4 mt -85.29 -45.94 11.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.913 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 10.6 t -62.09 -10.31 9.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.128 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.455 ' HB3' HG22 ' A' ' 68' ' ' ILE . 2.2 mt-30 -69.25 -65.42 0.71 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.778 ' HB3' HD13 ' A' ' 68' ' ' ILE . 0.6 OUTLIER -46.2 173.07 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.405 ' O ' ' O ' ' A' ' 34' ' ' LEU . 93.2 m -69.26 130.26 42.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.154 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -81.48 146.75 30.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.607 ' OD1' HG13 ' A' ' 80' ' ' VAL . 22.9 t-20 -115.37 68.47 0.71 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.941 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.694 ' H ' HD13 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -81.28 14.44 2.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 14.2 t -88.19 -18.1 29.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.15 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.892 HG21 ' HB3' ' A' ' 32' ' ' PRO . 9.8 m -84.19 -19.19 9.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.17 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 92.8 mt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.942 179.945 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.629 ' O ' HG23 ' A' ' 15' ' ' VAL . 15.4 m . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.916 0.389 . . . . 0.0 111.133 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 62.9 mt -49.17 -20.67 0.63 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -118.56 138.33 52.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.443 ' O ' ' HA ' ' A' ' 22' ' ' MET . 53.6 t -51.46 134.25 33.81 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.639 0.733 . . . . 0.0 110.862 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.418 ' CD ' ' O ' ' A' ' 40' ' ' THR . 54.2 Cg_endo -69.77 0.08 6.16 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.706 2.271 . . . . 0.0 112.366 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.542 HD11 HD13 ' A' ' 41' ' ' ILE . 59.4 mt -111.67 -74.79 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.414 ' SG ' ' HB3' ' A' ' 18' ' ' CYS . 9.7 p -73.7 -29.32 62.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.443 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 47.9 mmm 71.71 47.18 0.35 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.414 ' HB3' ' CD1' ' A' ' 30' ' ' LEU . 4.9 mm-40 -119.02 138.74 52.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.899 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 28.6 p -50.0 133.28 22.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.839 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.51 ' CG ' ' HB3' ' A' ' 32' ' ' PRO . 36.9 m-85 -76.07 101.6 5.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.95 136.03 54.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.181 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.773 ' OE2' HD13 ' A' ' 81' ' ' LEU . 23.2 mp0 -76.34 47.15 0.45 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.896 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -133.56 -39.63 0.89 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.861 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -134.36 -41.55 0.8 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.924 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.414 ' CD1' ' HB3' ' A' ' 23' ' ' GLU . 2.5 mt -121.52 111.14 16.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.7 mmt85 -100.91 130.59 24.84 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.562 0.696 . . . . 0.0 110.933 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.559 ' HB3' HG21 ' A' ' 80' ' ' VAL . 53.6 Cg_endo -69.78 127.89 15.21 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.703 2.269 . . . . 0.0 112.302 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.455 ' HE3' HD11 ' A' ' 74' ' ' LEU . 17.8 mmmt -122.55 143.68 49.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.521 HD11 ' O ' ' A' ' 38' ' ' GLY . 4.8 tp -111.44 131.27 55.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.814 HD22 ' OG1' ' A' ' 66' ' ' THR . 88.7 mt -93.64 162.94 13.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.57 ' CD2' HG23 ' A' ' 66' ' ' THR . 15.7 m170 -61.99 -7.95 4.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.41 ' SG ' ' HB2' ' A' ' 35' ' ' LEU . 29.4 p -87.7 -44.72 10.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.521 ' O ' HD11 ' A' ' 34' ' ' LEU . . . 137.35 -29.33 2.71 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.523 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 27.6 m170 -65.5 144.18 57.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.894 0.378 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.471 HG21 ' CG ' ' A' ' 77' ' ' ASN . 30.1 m -108.08 128.14 54.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.146 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.542 HD13 HD11 ' A' ' 20' ' ' ILE . 9.9 mt -135.64 149.73 28.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.169 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.444 ' SG ' ' HB3' ' A' ' 44' ' ' GLN . 17.5 p -72.0 148.12 46.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.918 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.524 ' HG3' ' N ' ' A' ' 44' ' ' GLN . 0.3 OUTLIER -52.33 -31.89 35.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 -179.942 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.524 ' N ' ' HG3' ' A' ' 43' ' ' ARG . 5.1 tt0 -58.77 -45.87 88.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.538 ' HB2' HG22 ' A' ' 41' ' ' ILE . 90.5 m -80.3 -34.01 37.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.712 HD21 HD21 ' A' ' 74' ' ' LEU . 6.5 tp -66.22 -36.4 82.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -62.62 -50.14 72.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.89 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -52.45 -38.05 58.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.869 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 36.9 mt -71.39 -54.64 10.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.6 tt -53.81 -43.38 69.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 179.779 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.465 ' HA3' ' CG2' ' A' ' 65' ' ' ILE . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 98.7 t -124.42 120.16 58.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.852 0.358 . . . . 0.0 111.097 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 39.9 ttp180 -81.43 119.12 23.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.418 ' O ' ' HA ' ' A' ' 63' ' ' SER . 41.2 t -77.21 122.67 86.57 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.611 0.719 . . . . 0.0 110.876 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 3.71 2.61 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.682 2.254 . . . . 0.0 112.341 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -106.62 -57.63 2.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.422 ' O ' ' HB3' ' A' ' 63' ' ' SER . 24.7 p -104.91 -24.74 12.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.422 ' HB3' ' O ' ' A' ' 62' ' ' CYS . 8.2 t 74.86 43.09 0.24 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 34.0 mtpt -111.9 108.72 18.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.898 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.465 ' CG2' ' HA3' ' A' ' 56' ' ' GLY . 35.6 mm -52.6 127.95 10.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.145 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.814 ' OG1' HD22 ' A' ' 35' ' ' LEU . 16.2 m -74.12 -28.22 61.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.179 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.448 ' H ' HG22 ' A' ' 65' ' ' ILE . 0.9 OUTLIER 62.52 54.6 2.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.794 HD13 ' HB3' ' A' ' 74' ' ' LEU . 1.6 pt -132.7 146.21 33.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.123 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.1 p -88.97 -38.92 14.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.101 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.3 t -117.67 168.3 10.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.801 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.688 HD22 HD23 ' A' ' 46' ' ' LEU . 10.3 mt -72.91 -29.77 63.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.906 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 8.1 t -76.47 -25.19 54.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.115 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 11.0 mm100 -57.98 -58.67 7.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.916 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.794 ' HB3' HD13 ' A' ' 68' ' ' ILE . 1.4 pp -52.42 173.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.408 ' O ' ' O ' ' A' ' 34' ' ' LEU . 96.9 m -70.53 131.78 44.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.156 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -84.18 148.06 26.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.471 ' CG ' HG21 ' A' ' 40' ' ' THR . 26.1 t-20 -117.26 70.34 0.78 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.708 ' H ' HD13 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -86.18 16.04 4.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.953 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.443 HG22 ' ND2' ' A' ' 77' ' ' ASN . 14.9 t -81.05 -34.69 32.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.155 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.559 HG21 ' HB3' ' A' ' 32' ' ' PRO . 14.1 m -69.54 -27.62 34.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.124 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.773 HD13 ' OE2' ' A' ' 27' ' ' GLU . 13.3 mt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.41 ' O ' HG23 ' A' ' 15' ' ' VAL . 28.9 m . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.922 0.391 . . . . 0.0 111.114 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.7 mt -50.54 -21.88 1.72 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.968 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -111.14 145.5 38.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.906 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.45 ' O ' ' HA ' ' A' ' 22' ' ' MET . 53.5 t -56.86 135.88 79.24 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.652 0.739 . . . . 0.0 110.873 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.415 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 53.8 Cg_endo -69.73 -0.85 7.48 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.64 2.227 . . . . 0.0 112.34 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.534 HD11 HD13 ' A' ' 41' ' ' ILE . 60.0 mt -112.82 -73.89 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.151 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.3 p -75.92 -29.34 58.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.45 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 8.2 mtp 69.71 44.1 0.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.851 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 24' ' ' SER . 12.2 mt-10 -115.12 124.78 52.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.929 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.52 ' O ' HG23 ' A' ' 26' ' ' THR . 74.2 p -34.71 122.52 0.53 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.816 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.743 ' CD2' HG21 ' A' ' 80' ' ' VAL . 18.8 m-85 -59.87 106.13 0.46 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.892 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.52 HG23 ' O ' ' A' ' 24' ' ' SER . 26.4 p -102.59 132.76 48.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.112 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -69.39 -17.16 63.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -69.69 -55.46 9.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -125.74 -71.31 0.7 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.949 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.465 HD21 ' NE2' ' A' ' 44' ' ' GLN . 30.8 mt -65.35 80.97 0.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.917 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.5 mmm-85 -88.49 132.38 39.19 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.654 0.74 . . . . 0.0 110.826 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.626 ' HB3' HG21 ' A' ' 80' ' ' VAL . 53.6 Cg_endo -69.78 110.0 2.45 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.676 2.251 . . . . 0.0 112.372 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.7 mmmt -108.93 134.08 52.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.875 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.773 HD11 ' O ' ' A' ' 38' ' ' GLY . 6.6 tp -100.62 123.83 45.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.932 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.76 HD21 ' CD1' ' A' ' 46' ' ' LEU . 89.9 mt -79.13 162.82 25.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.497 ' CG ' HG23 ' A' ' 66' ' ' THR . 23.0 m170 -63.1 -6.4 4.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.811 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.456 ' CB ' ' SG ' ' A' ' 62' ' ' CYS . 30.0 p -89.65 -45.79 9.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.926 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.773 ' O ' HD11 ' A' ' 34' ' ' LEU . . . 141.18 -30.18 2.26 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.467 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.486 ' O ' HD12 ' A' ' 34' ' ' LEU . 30.1 m170 -66.27 148.99 51.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.867 0.365 . . . . 0.0 110.871 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.478 ' OG1' HD13 ' A' ' 34' ' ' LEU . 40.4 m -108.06 137.41 46.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.127 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.534 HD13 HD11 ' A' ' 20' ' ' ILE . 10.9 mt -145.26 147.13 19.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.088 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.469 ' SG ' ' HB3' ' A' ' 44' ' ' GLN . 17.2 p -70.75 133.97 47.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.423 ' HG3' ' N ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -39.72 -37.22 0.5 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.837 -179.893 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.469 ' HB3' ' SG ' ' A' ' 42' ' ' CYS . 9.2 tt0 -52.79 -54.98 26.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.463 ' HB2' HG22 ' A' ' 41' ' ' ILE . 87.5 m -69.39 -38.88 78.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.882 HD23 HD22 ' A' ' 71' ' ' LEU . 5.9 tp -63.69 -32.48 73.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.883 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.537 ' OE1' HD21 ' A' ' 71' ' ' LEU . 4.6 mm-40 -69.61 -46.44 66.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.87 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -54.44 -33.45 59.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.467 ' HB3' HG13 ' A' ' 57' ' ' VAL . 79.3 mt -80.93 -50.58 9.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.88 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.551 ' HA ' HG22 ' A' ' 57' ' ' VAL . 3.3 tt -55.25 -39.51 69.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.111 179.801 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.551 HG22 ' HA ' ' A' ' 50' ' ' LEU . 91.4 t -102.03 129.31 53.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.826 0.346 . . . . 0.0 111.163 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.416 ' O ' HD13 ' A' ' 49' ' ' LEU . 24.9 ttm180 -86.57 123.19 31.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.461 ' O ' ' HA ' ' A' ' 63' ' ' SER . 12.0 t -82.69 120.25 76.14 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.614 0.721 . . . . 0.0 110.881 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 5.25 1.75 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.659 2.239 . . . . 0.0 112.355 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.415 ' CZ ' ' HB2' ' A' ' 19' ' ' PRO . 23.2 m-85 -105.39 -59.09 1.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.93 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.456 ' SG ' ' CB ' ' A' ' 37' ' ' CYS . 24.1 p -103.74 -12.4 17.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.84 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.461 ' HA ' ' O ' ' A' ' 59' ' ' CYS . 5.0 p 65.88 34.77 7.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.454 ' HD3' ' CB ' ' A' ' 37' ' ' CYS . 31.1 mtpt -97.83 120.2 37.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.885 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 38.5 mm -69.25 113.61 5.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.122 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.497 HG23 ' CG ' ' A' ' 36' ' ' HIS . 5.4 m -95.18 98.13 10.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.43 ' O ' HG23 ' A' ' 68' ' ' ILE . 0.4 OUTLIER -66.62 91.94 0.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.765 ' O ' HD12 ' A' ' 68' ' ' ILE . 1.9 pp -155.95 105.61 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 4.6 t -68.65 -34.93 76.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.154 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.691 ' HB3' HG22 ' A' ' 72' ' ' THR . 4.3 m -106.32 137.63 43.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.833 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.882 HD22 HD23 ' A' ' 46' ' ' LEU . 22.1 mt -57.56 -19.56 26.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.912 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.691 HG22 ' HB3' ' A' ' 70' ' ' SER . 9.8 t -80.97 -31.43 34.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.152 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.553 ' HB3' HG22 ' A' ' 68' ' ' ILE . 13.9 mt-30 -50.21 -64.66 0.74 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.55 HD11 ' O ' ' A' ' 71' ' ' LEU . 0.5 OUTLIER -51.93 174.88 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.402 ' O ' ' O ' ' A' ' 34' ' ' LEU . 97.0 m -73.86 138.85 44.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.171 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.19 150.45 21.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -122.17 66.51 0.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.719 ' H ' HD13 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -82.62 20.57 1.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.914 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 11.8 t -85.05 -30.52 24.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.154 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.743 HG21 ' CD2' ' A' ' 25' ' ' PHE . 11.4 m -75.59 -24.46 17.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.177 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 25.0 mt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.971 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.441 ' O ' HG23 ' A' ' 15' ' ' VAL . 23.8 m . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.885 0.374 . . . . 0.0 111.121 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 67.3 mt -48.46 -22.06 0.66 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.93 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -114.45 153.72 29.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.462 ' O ' ' HA ' ' A' ' 22' ' ' MET . 53.8 t -64.24 136.1 96.61 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.585 0.707 . . . . 0.0 110.919 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -0.33 6.79 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.719 2.279 . . . . 0.0 112.309 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.458 HD12 ' CG2' ' A' ' 41' ' ' ILE . 62.4 mt -111.98 -74.65 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.095 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.418 ' SG ' ' HB3' ' A' ' 18' ' ' CYS . 6.6 p -73.93 -27.77 61.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.462 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 79.8 mmm 68.23 45.54 1.23 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.458 ' HB3' ' CD1' ' A' ' 30' ' ' LEU . 6.5 mt-10 -116.27 136.04 53.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 27.8 m -49.39 130.11 19.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.877 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.652 ' CD2' HG21 ' A' ' 80' ' ' VAL . 31.0 m-85 -70.61 107.07 3.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.916 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.5 t -114.16 145.84 41.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.121 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.661 ' HG3' HD22 ' A' ' 81' ' ' LEU . 59.1 mt-10 -85.8 43.03 1.01 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -132.7 -47.75 0.88 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.886 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 44.8 tp60 -127.1 -59.77 1.23 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.458 ' CD1' ' HB3' ' A' ' 23' ' ' GLU . 13.5 mt -91.94 99.98 12.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 53.9 mtm180 -99.73 130.08 27.37 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.621 0.724 . . . . 0.0 110.861 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.529 ' HB3' HG21 ' A' ' 80' ' ' VAL . 53.7 Cg_endo -69.75 117.71 5.25 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.734 2.289 . . . . 0.0 112.36 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.6 mmmt -116.35 132.11 56.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.641 HD11 ' O ' ' A' ' 38' ' ' GLY . 4.2 tp -94.41 132.25 39.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.487 HD21 ' CD1' ' A' ' 46' ' ' LEU . 63.4 mt -87.74 162.42 17.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.582 ' CD2' HG23 ' A' ' 66' ' ' THR . 21.8 m170 -63.76 -6.63 5.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.452 ' CB ' ' HD2' ' A' ' 64' ' ' LYS . 30.0 p -91.56 -47.28 7.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.641 ' O ' HD11 ' A' ' 34' ' ' LEU . . . 144.73 -30.95 1.8 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.474 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.424 ' O ' HD12 ' A' ' 34' ' ' LEU . 31.8 m170 -66.04 150.34 48.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.878 0.371 . . . . 0.0 110.835 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.45 ' OG1' HD13 ' A' ' 34' ' ' LEU . 89.2 m -111.68 139.52 47.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.093 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.58 HG22 ' HB2' ' A' ' 45' ' ' CYS . 13.0 mt -145.71 148.72 17.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.091 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.481 ' SG ' ' HB3' ' A' ' 44' ' ' GLN . 20.8 p -72.35 139.12 47.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.5 ppt_? -40.99 -36.87 0.72 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.481 ' HB3' ' SG ' ' A' ' 42' ' ' CYS . 7.8 tt0 -53.71 -60.97 2.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.882 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.58 ' HB2' HG22 ' A' ' 41' ' ' ILE . 60.4 m -60.28 -48.31 82.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.8 HD23 HD22 ' A' ' 71' ' ' LEU . 5.4 tp -57.52 -37.31 72.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.652 ' OE1' HD21 ' A' ' 71' ' ' LEU . 4.0 mm-40 -65.01 -52.81 54.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.7 mptt -50.56 -29.23 10.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.92 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 82.4 mt -84.75 -57.22 3.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.405 HD23 ' O ' ' A' ' 50' ' ' LEU . 2.5 tt -48.84 -40.63 30.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.805 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.556 HG11 HD12 ' A' ' 46' ' ' LEU . 94.1 t -100.82 124.04 54.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.87 0.367 . . . . 0.0 111.095 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 43.6 ttp180 -81.72 115.22 20.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.435 ' O ' ' HA ' ' A' ' 63' ' ' SER . 18.1 t -71.64 120.98 83.11 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.64 0.733 . . . . 0.0 110.916 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 3.68 2.64 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.706 2.271 . . . . 0.0 112.311 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -106.66 -61.43 1.53 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 26.8 p -99.75 -24.64 14.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.435 ' HA ' ' O ' ' A' ' 59' ' ' CYS . 6.1 t 74.95 47.49 0.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.452 ' HD2' ' CB ' ' A' ' 37' ' ' CYS . 34.0 mttm -108.97 115.31 29.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 43.6 mm -62.9 118.98 5.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.125 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.582 HG23 ' CD2' ' A' ' 36' ' ' HIS . 3.4 m -94.5 85.7 4.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.125 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? -55.02 89.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.838 ' CD1' HD23 ' A' ' 74' ' ' LEU . 2.1 pt -151.63 107.72 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 8.9 t -59.35 -35.38 73.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.122 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 48.3 m -115.09 164.85 13.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.8 HD22 HD23 ' A' ' 46' ' ' LEU . 18.0 mt -75.41 -26.92 58.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.922 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 7.9 t -78.41 -22.25 48.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.17 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 19.0 mm100 -59.68 -54.55 45.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.838 HD23 ' CD1' ' A' ' 68' ' ' ILE . 1.7 pp -54.02 -175.03 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.489 HG22 ' HB3' ' A' ' 34' ' ' LEU . 82.0 m -81.29 133.12 35.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.143 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -79.98 154.44 28.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -128.43 67.78 1.37 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.636 ' H ' HD13 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -84.8 21.07 1.64 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 179.928 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 12.4 t -83.37 -32.62 26.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.19 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.652 HG21 ' CD2' ' A' ' 25' ' ' PHE . 10.2 m -77.41 -29.69 16.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.07 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.661 HD22 ' HG3' ' A' ' 27' ' ' GLU . 19.7 mt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 17' ' ' GLU . 33.1 m . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.859 0.361 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.3 mt -41.31 -24.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 15' ' ' VAL . 3.6 mt-10 -109.26 132.96 53.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.461 ' O ' ' HA ' ' A' ' 22' ' ' MET . 52.6 t -49.18 136.2 15.42 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.653 0.74 . . . . 0.0 110.895 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.504 ' CD ' ' O ' ' A' ' 40' ' ' THR . 53.8 Cg_endo -69.79 1.2 4.67 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.722 2.281 . . . . 0.0 112.377 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.429 HD12 ' HB3' ' A' ' 45' ' ' CYS . 26.4 mt -115.12 -74.47 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.111 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 8.8 p -74.69 -23.86 58.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.461 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 6.7 mmt 62.76 45.45 5.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.833 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.486 ' HB3' HD13 ' A' ' 30' ' ' LEU . 8.3 mt-10 -115.34 124.93 52.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.921 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 23' ' ' GLU . 7.4 t -37.31 130.35 0.92 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.838 -179.775 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.607 ' CD2' HG21 ' A' ' 80' ' ' VAL . 18.0 m-85 -69.85 101.45 1.74 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.43 ' O ' HD21 ' A' ' 81' ' ' LEU . 32.1 p -84.12 -174.36 5.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.134 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.504 ' OE2' HD13 ' A' ' 81' ' ' LEU . 67.9 mm-40 -94.78 -64.5 1.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -84.89 32.75 0.53 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.466 ' O ' ' C ' ' A' ' 30' ' ' LEU . 2.6 tp60 -177.04 163.38 2.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.486 HD13 ' HB3' ' A' ' 23' ' ' GLU . 27.2 mt 32.84 42.33 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 48.0 mtm180 -54.11 128.17 56.56 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.569 0.7 . . . . 0.0 110.887 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.6 ' HB3' HG21 ' A' ' 80' ' ' VAL . 53.2 Cg_endo -69.78 117.74 5.26 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.672 2.248 . . . . 0.0 112.315 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.4 mmmt -117.25 137.28 52.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.887 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.795 HD22 ' OD1' ' A' ' 77' ' ' ASN . 5.4 tp -103.25 125.35 49.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.7 HD21 ' CD1' ' A' ' 46' ' ' LEU . 94.8 mt -82.8 162.58 21.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.953 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.506 ' CD2' HG23 ' A' ' 66' ' ' THR . 23.8 m170 -60.34 -9.32 3.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.822 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 28.2 p -88.21 -46.6 9.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.721 ' O ' HD11 ' A' ' 34' ' ' LEU . . . 140.21 -28.66 2.46 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.504 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.471 ' O ' HD12 ' A' ' 34' ' ' LEU . 23.2 m170 -62.99 148.32 48.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.869 0.366 . . . . 0.0 110.896 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.504 ' O ' ' CD ' ' A' ' 19' ' ' PRO . 62.5 m -111.48 126.94 55.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.167 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.528 ' CG2' ' HB2' ' A' ' 45' ' ' CYS . 60.3 mt -135.45 150.03 28.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.117 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.446 ' SG ' ' HB3' ' A' ' 44' ' ' GLN . 19.5 p -73.88 135.56 43.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.406 ' HG3' ' N ' ' A' ' 44' ' ' GLN . 0.1 OUTLIER -38.24 -37.51 0.29 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.82 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.446 ' HB3' ' SG ' ' A' ' 42' ' ' CYS . 6.2 tt0 -53.87 -61.01 2.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.528 ' HB2' ' CG2' ' A' ' 41' ' ' ILE . 56.3 m -59.84 -44.98 93.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.7 ' CD1' HD21 ' A' ' 35' ' ' LEU . 5.7 tp -59.51 -35.84 74.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.635 ' OE1' HD21 ' A' ' 71' ' ' LEU . 4.6 mm-40 -63.35 -51.33 66.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.407 ' HD3' ' O ' ' A' ' 44' ' ' GLN . 6.8 mptt -49.75 -34.93 20.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.899 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 96.3 mt -80.81 -53.26 6.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 51' ' ' ALA . 1.4 tt -51.31 -46.95 62.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 50' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.079 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.465 ' HA3' ' CG2' ' A' ' 65' ' ' ILE . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 48.5 t -91.32 116.27 32.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.88 0.371 . . . . 0.0 111.124 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 68.9 ttt180 -77.34 113.77 15.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.444 ' O ' ' HA ' ' A' ' 63' ' ' SER . 42.4 t -67.24 123.53 86.68 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.702 0.763 . . . . 0.0 110.862 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 4.36 2.25 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.669 2.246 . . . . 0.0 112.356 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.488 ' CZ ' ' HB2' ' A' ' 19' ' ' PRO . 33.5 m-85 -107.17 -54.89 2.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.853 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 26.4 p -111.6 -16.33 13.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.88 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.444 ' HA ' ' O ' ' A' ' 59' ' ' CYS . 74.3 m 62.25 47.83 5.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 65' ' ' ILE . 89.5 mttt -109.42 91.16 3.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.465 ' CG2' ' HA3' ' A' ' 56' ' ' GLY . 46.0 mm -33.67 125.49 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.129 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.618 ' OG1' HD22 ' A' ' 35' ' ' LEU . 14.8 m -79.2 -29.53 42.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.143 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.428 ' HB3' ' NH1' ' A' ' 67' ' ' ARG . 3.5 mmm180 64.01 48.94 2.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.974 ' CD1' HD23 ' A' ' 74' ' ' LEU . 2.5 pt -128.39 132.36 68.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.122 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.7 t -85.35 -29.97 24.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.18 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 18.2 m -116.53 153.4 32.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.826 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.635 HD21 ' OE1' ' A' ' 47' ' ' GLU . 56.2 mt -63.56 -28.23 69.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.901 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 8.9 t -80.85 -30.77 35.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.155 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 -47.09 -56.25 6.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.974 HD23 ' CD1' ' A' ' 68' ' ' ILE . 2.8 pp -53.06 -174.26 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 90.8 m -84.22 137.02 33.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.16 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -84.71 152.42 23.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.795 ' OD1' HD22 ' A' ' 34' ' ' LEU . 10.0 t30 -129.75 62.27 1.55 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.692 ' H ' HD13 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -75.91 5.82 5.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.3 t -66.87 -40.49 87.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.153 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.607 HG21 ' CD2' ' A' ' 25' ' ' PHE . 19.8 m -67.13 -30.38 49.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.142 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.504 HD13 ' OE2' ' A' ' 27' ' ' GLU . 96.9 mt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.932 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 33.5 m . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.844 0.354 . . . . 0.0 111.084 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 18.8 mt -53.13 -16.61 1.22 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -115.02 159.45 20.77 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.587 ' SG ' HG23 ' A' ' 41' ' ' ILE . 51.0 t -70.41 135.94 86.41 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.591 0.71 . . . . 0.0 110.894 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.493 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 53.8 Cg_endo -69.7 -0.05 6.31 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.7 2.267 . . . . 0.0 112.345 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.437 HD12 ' HB3' ' A' ' 45' ' ' CYS . 27.3 mt -111.61 -72.55 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.133 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.8 p -77.87 -29.52 50.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.893 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.455 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 10.2 mtp 71.65 49.89 0.27 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.441 ' OE1' HD11 ' A' ' 30' ' ' LEU . 13.7 mt-10 -119.08 140.91 49.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.855 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.6 p -51.32 132.29 28.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.893 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.56 ' CD2' HG21 ' A' ' 80' ' ' VAL . 21.6 m-85 -74.02 103.22 4.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.893 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.404 ' O ' ' O ' ' A' ' 30' ' ' LEU . 1.3 t -124.69 138.26 54.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.15 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 64.0 mt-10 -79.74 45.59 0.71 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -134.27 -38.48 0.85 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 -133.41 -37.95 0.94 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.917 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.441 HD11 ' OE1' ' A' ' 23' ' ' GLU . 1.8 mt -130.27 105.28 7.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 22.6 mtm180 -95.8 131.34 29.42 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.608 0.718 . . . . 0.0 110.875 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.516 ' HB3' HG21 ' A' ' 80' ' ' VAL . 53.6 Cg_endo -69.76 122.57 9.25 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.713 2.275 . . . . 0.0 112.336 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.483 ' HB3' HD11 ' A' ' 74' ' ' LEU . 3.5 mmmm -122.31 135.26 54.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.894 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.647 HD11 ' O ' ' A' ' 38' ' ' GLY . 6.3 tp -99.74 130.54 45.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.68 HD21 ' CD1' ' A' ' 46' ' ' LEU . 77.1 mt -87.63 162.25 17.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.592 ' CE1' ' O ' ' A' ' 66' ' ' THR . 22.1 m170 -60.37 -9.67 3.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.412 ' SG ' ' HB2' ' A' ' 35' ' ' LEU . 28.5 p -88.81 -46.92 8.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.647 ' O ' HD11 ' A' ' 34' ' ' LEU . . . 141.46 -29.55 2.26 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.437 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 25.4 m170 -63.28 139.71 58.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.929 0.395 . . . . 0.0 110.841 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.534 HG21 ' CG ' ' A' ' 77' ' ' ASN . 15.6 m -106.09 118.17 35.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.154 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.587 HG23 ' SG ' ' A' ' 18' ' ' CYS . 18.9 mt -127.41 152.21 35.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.097 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.459 ' SG ' ' HB3' ' A' ' 44' ' ' GLN . 17.5 p -71.87 140.22 49.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.858 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.563 ' HG3' ' N ' ' A' ' 44' ' ' GLN . 4.8 ptt180 -44.3 -37.53 3.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.563 ' N ' ' HG3' ' A' ' 43' ' ' ARG . 7.5 tt0 -52.08 -55.25 21.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.494 ' HB2' HG22 ' A' ' 41' ' ' ILE . 54.4 m -65.75 -38.03 87.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.68 ' CD1' HD21 ' A' ' 35' ' ' LEU . 5.3 tp -62.22 -40.85 97.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -62.01 -50.99 69.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -48.0 -34.9 10.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 56.8 mt -82.0 -57.56 3.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.46 HD23 ' O ' ' A' ' 50' ' ' LEU . 2.0 tt -47.93 -27.9 2.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 179.767 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.464 -0.255 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 59.4 t -143.49 108.6 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.831 0.348 . . . . 0.0 111.177 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 59.1 ttp85 -70.85 110.41 5.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.928 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.459 ' O ' ' HA ' ' A' ' 63' ' ' SER . 47.0 t -64.85 125.34 88.78 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.657 0.741 . . . . 0.0 110.849 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 3.99 2.44 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.672 2.248 . . . . 0.0 112.367 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.493 ' CZ ' ' HB2' ' A' ' 19' ' ' PRO . 36.3 m-85 -109.35 -57.64 2.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 26.5 p -107.57 -15.63 14.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.459 ' HA ' ' O ' ' A' ' 59' ' ' CYS . 16.8 m 59.41 51.27 6.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.826 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.456 ' O ' ' C ' ' A' ' 65' ' ' ILE . 88.3 mttt -114.48 93.03 4.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.456 ' C ' ' O ' ' A' ' 64' ' ' LYS . 46.5 mm -31.73 123.66 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.111 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.592 ' O ' ' CE1' ' A' ' 36' ' ' HIS . 3.0 m -72.27 -29.86 64.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.135 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 6.8 mmm180 63.81 55.01 1.7 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.839 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 1.037 ' CD1' HD23 ' A' ' 74' ' ' LEU . 1.6 pt -137.25 121.63 23.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.142 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.1 p -67.45 -36.79 81.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.137 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.545 ' O ' HD12 ' A' ' 68' ' ' ILE . 1.2 t -111.25 167.34 10.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.429 HD22 HD23 ' A' ' 46' ' ' LEU . 13.5 mt -75.33 -25.17 57.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.929 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 8.8 t -85.18 -30.76 23.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.065 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -43.81 -52.54 6.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.933 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 1.037 HD23 ' CD1' ' A' ' 68' ' ' ILE . 3.3 pp -53.56 -174.86 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.984 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 93.0 m -83.35 136.48 34.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.153 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -80.44 145.94 31.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.887 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.534 ' CG ' HG21 ' A' ' 40' ' ' THR . 25.0 t-20 -117.14 67.73 0.74 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.704 ' H ' HD13 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -81.35 12.76 3.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.937 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.8 t -75.85 -33.59 60.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.122 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.56 HG21 ' CD2' ' A' ' 25' ' ' PHE . 16.8 m -76.22 -29.74 19.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.121 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 22.6 mt . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 179.945 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 33.8 m . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.87 0.367 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 26.5 mt -52.71 -26.06 12.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.908 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.422 ' HG3' ' N ' ' A' ' 24' ' ' SER . 1.9 mp0 -105.21 175.27 5.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.922 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.462 ' O ' ' HA ' ' A' ' 22' ' ' MET . 45.5 t -75.77 136.86 70.24 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.684 0.754 . . . . 0.0 110.852 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.405 ' CD ' ' O ' ' A' ' 40' ' ' THR . 53.8 Cg_endo -69.76 1.79 4.12 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.666 2.244 . . . . 0.0 112.312 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.579 HD11 HD13 ' A' ' 41' ' ' ILE . 52.8 mt -116.02 -67.51 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.157 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.406 ' O ' ' HB2' ' A' ' 22' ' ' MET . 11.3 p -85.32 -24.72 27.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.462 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 7.9 mmt 65.97 52.0 1.27 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.712 ' HB3' HD13 ' A' ' 30' ' ' LEU . 35.0 mm-40 -115.5 136.76 52.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.866 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.422 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 29.3 p -47.04 123.86 5.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.822 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.573 ' CD2' HG21 ' A' ' 80' ' ' VAL . 15.8 m-85 -68.69 103.09 1.64 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.904 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.5 t -124.28 139.3 54.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.147 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -80.27 43.92 0.66 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -131.13 -41.33 1.12 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -134.76 -34.0 0.92 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.712 HD13 ' HB3' ' A' ' 23' ' ' GLU . 1.4 mt -128.4 98.63 5.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.909 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 19.5 mtm180 -94.6 128.77 38.66 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.605 0.717 . . . . 0.0 110.833 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.501 ' HB3' ' CG ' ' A' ' 25' ' ' PHE . 53.9 Cg_endo -69.77 114.68 3.78 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.643 2.228 . . . . 0.0 112.362 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.55 ' HB3' HD11 ' A' ' 74' ' ' LEU . 2.5 mmmm -114.53 132.31 56.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.679 HD11 ' O ' ' A' ' 38' ' ' GLY . 6.3 tp -94.87 133.94 38.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.721 HD21 ' CD1' ' A' ' 46' ' ' LEU . 84.3 mt -90.49 162.29 15.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.883 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.669 ' CD2' HG23 ' A' ' 66' ' ' THR . 16.2 m170 -62.11 -7.63 4.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 28.8 p -89.48 -46.92 8.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.863 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.679 ' O ' HD11 ' A' ' 34' ' ' LEU . . . 141.93 -28.95 2.24 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.533 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.447 ' O ' HD12 ' A' ' 34' ' ' LEU . 29.6 m170 -65.94 146.41 54.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.896 0.379 . . . . 0.0 110.817 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.569 HG21 ' CG ' ' A' ' 77' ' ' ASN . 23.2 m -112.29 118.07 34.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.163 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.579 HD13 HD11 ' A' ' 20' ' ' ILE . 55.8 mt -125.57 151.24 31.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.167 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.503 ' SG ' ' HB3' ' A' ' 44' ' ' GLN . 17.8 p -71.86 143.66 49.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.91 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.439 ' HD2' ' C ' ' A' ' 43' ' ' ARG . 0.4 OUTLIER -45.03 -39.18 5.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.503 ' HB3' ' SG ' ' A' ' 42' ' ' CYS . 2.3 tt0 -51.47 -62.17 1.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.497 ' HB2' ' CG2' ' A' ' 41' ' ' ILE . 56.9 m -59.13 -44.17 92.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.721 ' CD1' HD21 ' A' ' 35' ' ' LEU . 4.6 tp -59.71 -35.33 74.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.684 ' OE1' HD21 ' A' ' 71' ' ' LEU . 4.1 mm-40 -63.55 -52.05 62.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.4 mptt -50.27 -33.97 21.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 96.1 mt -81.4 -54.77 5.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.896 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.534 HD13 HD23 ' A' ' 71' ' ' LEU . 1.3 tt -50.71 -47.4 59.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.922 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.114 179.81 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.443 HG22 ' HA ' ' A' ' 50' ' ' LEU . 84.8 t -123.65 104.08 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.844 0.354 . . . . 0.0 111.153 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 21.0 ttp-105 -71.08 113.58 8.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.852 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.473 ' O ' ' HA ' ' A' ' 63' ' ' SER . 21.8 t -68.32 124.93 90.97 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.676 0.751 . . . . 0.0 110.893 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 5.19 1.8 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.648 2.232 . . . . 0.0 112.358 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -109.69 -58.29 2.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.849 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 19.5 p -103.61 -12.96 16.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.473 ' HA ' ' O ' ' A' ' 59' ' ' CYS . 3.6 m 58.74 44.38 17.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.795 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 51.0 mttp -114.14 107.86 16.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.881 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.403 HG22 ' H ' ' A' ' 67' ' ' ARG . 31.6 mm -49.83 133.66 8.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.153 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.669 HG23 ' CD2' ' A' ' 36' ' ' HIS . 10.4 m -83.28 -28.03 29.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.122 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.403 ' H ' HG22 ' A' ' 65' ' ' ILE . 0.5 OUTLIER 63.17 53.71 2.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.861 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 1.011 ' CD1' HD23 ' A' ' 74' ' ' LEU . 1.0 OUTLIER -130.94 128.94 63.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.155 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 8.9 t -79.54 -29.87 41.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.111 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.9 t -114.24 155.34 26.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.863 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.684 HD21 ' OE1' ' A' ' 47' ' ' GLU . 45.8 mt -68.4 -31.39 70.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.9 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 8.6 t -81.24 -24.77 37.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.152 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.421 ' HB3' HG22 ' A' ' 68' ' ' ILE . 6.3 mm100 -49.42 -55.09 14.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.937 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 1.011 HD23 ' CD1' ' A' ' 68' ' ' ILE . 2.5 pp -52.58 -174.85 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.419 ' O ' ' N ' ' A' ' 34' ' ' LEU . 89.1 m -80.76 142.37 33.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.17 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -89.46 149.86 22.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.569 ' CG ' HG21 ' A' ' 40' ' ' THR . 27.1 t-20 -121.81 66.37 0.91 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.885 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.634 ' H ' HD13 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -80.41 14.23 2.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.953 179.936 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 13.9 t -76.46 -34.89 58.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.148 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.573 HG21 ' CD2' ' A' ' 25' ' ' PHE . 12.1 m -72.68 -36.31 52.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.149 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 14.3 mt . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 179.983 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.445 ' O ' ' N ' ' A' ' 17' ' ' GLU . 35.0 m . . . . . 0 C--O 1.233 0.19 0 CA-C-O 120.81 0.338 . . . . 0.0 111.124 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.468 ' O ' ' CD2' ' A' ' 25' ' ' PHE . 24.3 mt -41.06 -24.86 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 15' ' ' VAL . 3.3 mt-10 -103.01 166.6 10.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.498 ' SG ' HG23 ' A' ' 41' ' ' ILE . 52.3 t -80.4 136.19 52.97 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.619 0.723 . . . . 0.0 110.891 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.527 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 53.9 Cg_endo -69.76 0.66 5.32 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.683 2.256 . . . . 0.0 112.361 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.463 HD11 HD13 ' A' ' 41' ' ' ILE . 49.0 mt -114.44 -73.33 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.172 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 18.4 p -77.72 -25.61 49.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.874 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.46 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 20.3 mmt 64.66 45.05 3.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.499 ' HB3' ' CD1' ' A' ' 30' ' ' LEU . 27.8 mt-10 -117.32 122.5 44.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.839 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 23' ' ' GLU . 8.3 t -33.44 129.45 0.28 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 -179.803 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.586 ' CD2' HG21 ' A' ' 80' ' ' VAL . 23.8 m-85 -68.14 100.25 0.99 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.869 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 43.1 p -97.73 138.57 34.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.112 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -82.95 38.51 0.59 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -134.47 -48.51 0.77 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.868 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 62.1 tp60 -126.05 -48.84 1.6 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.499 ' CD1' ' HB3' ' A' ' 23' ' ' GLU . 27.7 mt -96.73 73.41 2.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.911 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 84.6 mtm-85 -76.34 127.2 85.27 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.599 0.714 . . . . 0.0 110.877 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.651 ' HB3' HG21 ' A' ' 80' ' ' VAL . 53.5 Cg_endo -69.78 119.99 6.85 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.714 2.276 . . . . 0.0 112.301 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.514 ' HE3' HD11 ' A' ' 74' ' ' LEU . 15.3 mmmt -117.82 143.64 46.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.889 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.725 HD13 ' OD1' ' A' ' 77' ' ' ASN . 8.4 tp -111.2 122.45 47.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.437 HD21 ' CD1' ' A' ' 46' ' ' LEU . 95.4 mt -77.02 162.31 27.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.549 ' CD2' HG23 ' A' ' 66' ' ' THR . 21.3 m170 -62.38 -6.66 3.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.837 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.474 ' CB ' ' HD3' ' A' ' 64' ' ' LYS . 28.8 p -89.41 -47.71 7.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.697 ' O ' HD11 ' A' ' 34' ' ' LEU . . . 143.28 -29.26 2.05 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.514 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.487 ' O ' HD12 ' A' ' 34' ' ' LEU . 27.9 m170 -64.66 146.75 54.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.838 0.351 . . . . 0.0 110.843 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.547 ' OG1' HD13 ' A' ' 34' ' ' LEU . 99.1 m -108.98 131.72 54.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.142 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.498 HG23 ' SG ' ' A' ' 18' ' ' CYS . 52.2 mt -140.57 150.11 21.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.16 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.485 ' SG ' ' HB3' ' A' ' 44' ' ' GLN . 20.4 p -72.19 142.2 49.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.935 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.7 -33.0 3.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.485 ' HB3' ' SG ' ' A' ' 42' ' ' CYS . 1.1 tt0 -56.42 -56.99 14.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.486 ' HB2' ' CG2' ' A' ' 41' ' ' ILE . 56.4 m -63.5 -43.55 96.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.565 HD23 HD22 ' A' ' 71' ' ' LEU . 5.8 tp -59.34 -45.07 92.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.949 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.506 ' OE2' HD11 ' A' ' 71' ' ' LEU . 4.0 mm-40 -54.52 -46.33 73.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -55.1 -34.03 63.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.878 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.598 ' HB3' HG13 ' A' ' 57' ' ' VAL . 94.3 mt -81.27 -53.37 6.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.916 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.464 ' O ' ' C ' ' A' ' 51' ' ' ALA . 1.8 tt -53.7 -45.41 70.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.464 ' C ' ' O ' ' A' ' 50' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.095 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.598 HG13 ' HB3' ' A' ' 49' ' ' LEU . 57.5 t -92.63 135.15 28.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.819 0.343 . . . . 0.0 111.161 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 27.3 ttp180 -91.99 114.56 27.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.458 ' O ' ' HA ' ' A' ' 63' ' ' SER . 35.7 t -64.97 126.18 90.65 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.615 0.721 . . . . 0.0 110.859 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 3.24 2.91 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.689 2.26 . . . . 0.0 112.316 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.527 ' CZ ' ' HB2' ' A' ' 19' ' ' PRO . 30.2 m-85 -110.83 -64.36 1.28 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 27.3 p -97.57 -22.39 16.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.458 ' HA ' ' O ' ' A' ' 59' ' ' CYS . 16.4 m 68.26 46.2 1.14 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.474 ' HD3' ' CB ' ' A' ' 37' ' ' CYS . 25.0 mtpp -103.59 91.31 3.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.87 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.429 ' C ' ' O ' ' A' ' 64' ' ' LYS . 44.8 mm -35.68 125.9 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.136 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.549 HG23 ' CD2' ' A' ' 36' ' ' HIS . 4.7 m -103.73 84.31 2.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.155 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 3.5 mpp_? -51.64 86.34 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.774 HD13 HD23 ' A' ' 74' ' ' LEU . 1.6 pt -145.31 108.36 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.134 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 6.7 t -64.37 -35.18 80.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.17 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 25.4 m -111.96 161.23 16.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.857 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.565 HD22 HD23 ' A' ' 46' ' ' LEU . 65.9 mt -70.25 -26.05 63.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.95 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 8.9 t -84.24 -24.96 29.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.191 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -49.71 -51.84 35.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.774 HD23 HD13 ' A' ' 68' ' ' ILE . 2.3 pp -52.65 -173.41 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 93.3 m -86.24 121.43 28.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.193 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -64.34 142.76 58.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.871 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.725 ' OD1' HD13 ' A' ' 34' ' ' LEU . 3.4 t30 -121.6 68.75 0.91 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.753 ' H ' HD13 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -82.58 -8.99 59.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.925 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.563 ' N ' HD22 ' A' ' 78' ' ' LEU . 8.7 t -49.9 -42.93 49.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.123 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.651 HG21 ' HB3' ' A' ' 32' ' ' PRO . 31.5 m -67.34 -33.12 60.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.117 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 89.1 mt . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 179.999 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.381 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.7 t -153.67 112.75 3.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.874 0.369 . . . . 0.0 110.891 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.8 p -171.65 164.53 6.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.886 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.45 89.5 0.38 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.502 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.4 m -158.06 169.05 25.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.891 0.377 . . . . 0.0 110.874 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.2 p -92.04 141.21 28.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.814 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.34 -152.93 18.45 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.473 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 38.13 41.61 0.41 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.824 0.345 . . . . 0.0 110.857 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.2 tp -125.72 107.13 10.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.929 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -141.68 107.55 5.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -124.35 -42.84 2.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.107 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.0 mp -55.39 130.89 44.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 19.5 ptt180 -103.95 -44.41 5.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.833 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 16.0 mp0 -47.7 164.8 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.471 ' O ' ' N ' ' A' ' 17' ' ' GLU . 34.4 m -107.33 34.73 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.064 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.473 ' O ' ' CD2' ' A' ' 25' ' ' PHE . 21.3 mt -38.31 -28.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 15' ' ' VAL . 3.2 mt-10 -104.37 161.72 13.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.454 ' O ' ' HA ' ' A' ' 22' ' ' MET . 52.4 t -72.89 135.1 80.75 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.652 0.739 . . . . 0.0 110.881 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -0.99 7.73 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.671 2.248 . . . . 0.0 112.328 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.471 HD11 HD13 ' A' ' 41' ' ' ILE . 62.5 mt -109.6 -74.48 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.136 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.418 ' SG ' ' HB3' ' A' ' 18' ' ' CYS . 5.2 p -73.83 -28.8 61.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.838 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.454 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 10.1 mtp 69.2 44.92 0.92 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -119.19 132.15 55.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.863 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.754 ' O ' HG23 ' A' ' 26' ' ' THR . 1.5 t -44.01 122.47 2.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.823 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.521 ' CG ' ' HB3' ' A' ' 32' ' ' PRO . 14.4 m-85 -56.82 101.26 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.918 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.754 HG23 ' O ' ' A' ' 24' ' ' SER . 1.6 p -109.99 112.4 24.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.168 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 28' ' ' GLU . 17.4 mt-10 -47.9 -49.3 30.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 27' ' ' GLU . 7.6 pt-20 -35.57 -48.42 0.51 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.893 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.614 HE22 HD23 ' A' ' 30' ' ' LEU . 0.8 OUTLIER -130.2 -72.04 0.58 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.924 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.614 HD23 HE22 ' A' ' 29' ' ' GLN . 15.3 mt -74.12 93.83 2.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 25.0 mtp180 -92.56 128.47 44.22 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.633 0.73 . . . . 0.0 110.857 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.585 ' HB3' HG21 ' A' ' 80' ' ' VAL . 53.7 Cg_endo -69.81 119.49 6.42 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.697 2.265 . . . . 0.0 112.297 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.8 mmmt -119.34 141.17 49.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.804 HD11 ' O ' ' A' ' 38' ' ' GLY . 6.7 tp -108.05 126.19 52.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.966 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.644 HD21 ' CD1' ' A' ' 46' ' ' LEU . 96.0 mt -81.55 162.58 23.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.508 ' CD2' HG23 ' A' ' 66' ' ' THR . 19.3 m170 -60.25 -8.78 2.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 29.0 p -88.57 -46.48 9.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.804 ' O ' HD11 ' A' ' 34' ' ' LEU . . . 140.89 -29.8 2.31 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.474 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.472 ' O ' HD12 ' A' ' 34' ' ' LEU . 30.4 m170 -63.49 145.11 56.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.853 0.359 . . . . 0.0 110.84 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.494 ' OG1' HD13 ' A' ' 34' ' ' LEU . 37.2 m -107.72 132.11 53.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.511 HG22 ' HB2' ' A' ' 45' ' ' CYS . 9.7 mt -140.87 148.17 22.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.114 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.442 ' SG ' ' HB3' ' A' ' 44' ' ' GLN . 17.0 p -71.47 133.52 45.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.415 ' HD2' ' N ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -38.88 -36.4 0.27 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.442 ' HB3' ' SG ' ' A' ' 42' ' ' CYS . 3.3 tt0 -52.9 -56.42 16.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.511 ' HB2' HG22 ' A' ' 41' ' ' ILE . 59.9 m -65.14 -42.3 93.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.644 ' CD1' HD21 ' A' ' 35' ' ' LEU . 5.6 tp -61.98 -33.94 75.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.533 ' OE2' HD11 ' A' ' 71' ' ' LEU . 4.2 mm-40 -63.96 -50.0 70.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -51.66 -36.39 46.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.953 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 92.6 mt -78.64 -53.21 7.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.497 ' HA ' HG22 ' A' ' 57' ' ' VAL . 2.3 tt -51.92 -46.7 64.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 50' ' ' LEU . . . -34.48 -61.64 0.38 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.093 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 50.4 m -67.77 -64.29 0.89 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.9 p -42.89 157.65 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.83 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 13.0 tt -134.63 -36.88 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.084 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 55.2 m-20 -105.59 42.1 1.29 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 114.92 153.49 10.5 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.508 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.497 HG22 ' HA ' ' A' ' 50' ' ' LEU . 97.6 t -93.89 131.45 40.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.766 0.317 . . . . 0.0 111.154 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 28.3 ttp180 -87.9 115.37 25.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.446 ' O ' ' HA ' ' A' ' 63' ' ' SER . 42.7 t -68.17 124.94 90.89 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.668 0.747 . . . . 0.0 110.895 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 3.66 2.67 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.672 2.248 . . . . 0.0 112.322 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -106.58 -62.32 1.41 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 24.9 p -102.43 -23.75 13.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.827 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.446 ' HA ' ' O ' ' A' ' 59' ' ' CYS . 3.7 t 74.98 43.43 0.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 27.9 mttm -102.1 94.22 5.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.879 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 33.5 mm -41.11 126.14 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.127 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.514 ' OG1' HD22 ' A' ' 35' ' ' LEU . 1.2 m -103.01 84.41 2.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.116 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 22.5 mmt85 -52.86 87.21 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.69 ' CD1' HD23 ' A' ' 74' ' ' LEU . 1.7 pt -149.72 116.92 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.112 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 15.2 t -72.73 -30.95 64.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.136 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.2 t -113.76 157.93 21.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.533 HD11 ' OE2' ' A' ' 47' ' ' GLU . 65.7 mt -68.79 -26.42 65.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.937 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 10.9 t -82.95 -24.41 33.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.139 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.509 ' HB3' HG22 ' A' ' 68' ' ' ILE . 0.6 OUTLIER -50.71 -55.52 16.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.873 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.69 HD23 ' CD1' ' A' ' 68' ' ' ILE . 2.2 pp -51.52 -175.1 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.918 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 58.0 m -83.26 126.28 32.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.151 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -68.72 151.38 46.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.818 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.796 ' OD1' HD13 ' A' ' 34' ' ' LEU . 3.0 t30 -125.9 68.4 1.18 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.947 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.758 ' H ' HD13 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -81.3 -5.01 57.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.97 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.503 ' N ' HD22 ' A' ' 78' ' ' LEU . 9.9 t -56.63 -39.92 74.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.162 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.585 HG21 ' HB3' ' A' ' 32' ' ' PRO . 21.2 m -67.13 -32.26 56.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.167 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 40.1 mt -78.21 -34.33 49.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.878 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 19.8 ttpp -55.81 156.42 5.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 25.3 t -66.58 111.88 3.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.818 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 65.54 -175.73 15.67 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.491 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 155.68 65.15 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.694 2.263 . . . . 0.0 112.342 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 53.5 p -91.09 -42.88 10.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 32.5 m -129.62 130.04 45.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.842 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 CA-C-O 119.139 -0.812 . . . . 0.0 112.444 -179.972 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.0 t -79.35 136.52 37.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.873 0.368 . . . . 0.0 110.836 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.4 p -137.1 168.92 18.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.835 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.38 131.88 10.79 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.503 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.1 m -100.38 175.81 5.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.917 0.389 . . . . 0.0 110.835 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.7 m -38.8 137.61 0.62 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.823 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.53 121.93 2.43 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.523 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -95.12 102.04 13.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.846 0.355 . . . . 0.0 110.898 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.5 HD23 ' H ' ' A' ' 9' ' ' LEU . 2.5 pt? -142.17 127.89 19.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -160.21 115.89 2.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.87 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -116.8 -53.93 2.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.128 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -83.35 128.67 34.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.7 ptm85 -109.53 42.11 1.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -112.23 166.9 10.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 33.7 m -104.97 38.46 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 29.4 mt -44.22 -23.06 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -107.81 150.62 26.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.917 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.483 ' SG ' HG23 ' A' ' 41' ' ' ILE . 52.0 t -67.29 135.09 93.33 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.659 0.743 . . . . 0.0 110.841 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.558 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 54.1 Cg_endo -69.78 -0.42 6.91 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.675 2.25 . . . . 0.0 112.359 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.413 HD12 ' HB3' ' A' ' 45' ' ' CYS . 50.0 mt -111.45 -75.42 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.142 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.407 ' SG ' ' HB3' ' A' ' 18' ' ' CYS . 8.0 p -73.16 -29.57 62.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.441 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 79.3 mmm 69.91 40.04 1.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.492 ' HB3' ' CD1' ' A' ' 30' ' ' LEU . 29.9 mt-10 -116.73 124.07 48.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 23' ' ' GLU . 5.9 t -35.11 133.33 0.32 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.848 -179.788 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.427 ' CG ' ' HB3' ' A' ' 32' ' ' PRO . 36.3 m-85 -70.67 108.44 4.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.896 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.416 ' C ' ' N ' ' A' ' 28' ' ' GLU . 12.6 p -111.63 109.67 19.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.155 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -45.04 -20.95 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.416 ' N ' ' C ' ' A' ' 26' ' ' THR . 20.9 tt0 -67.12 -47.06 72.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.913 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -128.93 -76.38 0.56 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.909 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.492 ' CD1' ' HB3' ' A' ' 23' ' ' GLU . 59.8 mt -65.42 75.6 0.06 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.927 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -72.85 121.29 84.64 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.591 0.71 . . . . 0.0 110.879 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.503 ' HB3' HG21 ' A' ' 80' ' ' VAL . 53.3 Cg_endo -69.81 107.6 1.9 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.669 2.246 . . . . 0.0 112.327 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -110.9 131.98 54.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.727 HD22 ' OD1' ' A' ' 77' ' ' ASN . 5.9 tp -94.72 124.5 38.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.9 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.59 HD21 ' CD1' ' A' ' 46' ' ' LEU . 47.6 mt -79.0 162.3 26.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.961 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 27.1 m170 -61.68 -8.25 4.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.506 ' CB ' ' SG ' ' A' ' 62' ' ' CYS . 24.3 p -89.38 -45.91 9.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.696 ' O ' HD11 ' A' ' 34' ' ' LEU . . . 140.08 -23.68 2.73 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.519 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.438 ' O ' HD12 ' A' ' 34' ' ' LEU . 25.2 m170 -68.41 144.28 54.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.901 0.381 . . . . 0.0 110.838 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.687 HG21 ' ND2' ' A' ' 77' ' ' ASN . 74.9 m -108.49 118.19 36.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.15 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.483 HG23 ' SG ' ' A' ' 18' ' ' CYS . 53.9 mt -127.51 150.51 33.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.1 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.442 ' SG ' ' HB3' ' A' ' 44' ' ' GLN . 17.5 p -72.33 138.64 47.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -44.94 -32.78 1.74 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.442 ' HB3' ' SG ' ' A' ' 42' ' ' CYS . 5.5 tt0 -56.75 -51.32 69.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.467 ' HB2' ' CG2' ' A' ' 41' ' ' ILE . 56.6 m -70.71 -37.55 73.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.59 ' CD1' HD21 ' A' ' 35' ' ' LEU . 6.1 tp -66.6 -34.14 77.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.462 ' CD ' HD11 ' A' ' 71' ' ' LEU . 4.5 mm-40 -65.03 -48.49 73.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.48 -36.5 61.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.921 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 72.9 mt -77.42 -52.41 9.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.91 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.421 ' O ' ' C ' ' A' ' 51' ' ' ALA . 1.2 tt -54.92 -39.66 69.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.952 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 50' ' ' LEU . . . -34.7 -58.05 0.51 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.1 t -73.18 -70.6 0.35 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 18.6 m -63.91 120.54 12.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.6 tt -96.1 -39.0 8.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.106 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -58.8 -35.46 72.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -170.47 -158.97 15.28 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.474 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.42 HG11 HD12 ' A' ' 46' ' ' LEU . 60.5 t -134.84 116.72 21.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.828 0.347 . . . . 0.0 111.112 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.463 ' CZ ' ' HB3' ' A' ' 58' ' ' ARG . 19.6 ttp-105 -78.13 117.51 19.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.82 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.478 ' O ' ' HA ' ' A' ' 63' ' ' SER . 36.5 t -73.89 125.67 90.1 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.647 0.736 . . . . 0.0 110.883 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 4.38 2.2 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.666 2.244 . . . . 0.0 112.34 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.558 ' CZ ' ' HB2' ' A' ' 19' ' ' PRO . 29.7 m-85 -109.53 -55.97 2.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.506 ' SG ' ' CB ' ' A' ' 37' ' ' CYS . 26.3 p -111.26 -8.95 14.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.857 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.478 ' HA ' ' O ' ' A' ' 59' ' ' CYS . 74.9 m 52.3 51.36 16.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 71.7 mttt -113.09 97.2 6.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.922 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 44.2 mm -40.95 124.29 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.126 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.541 ' OG1' HD22 ' A' ' 35' ' ' LEU . 5.4 m -76.99 -30.6 56.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.175 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 5.5 mmt-85 64.03 54.69 1.65 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.924 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.78 HD13 ' HB3' ' A' ' 74' ' ' LEU . 1.1 pt -133.25 118.75 33.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.103 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 9.7 t -63.95 -39.79 94.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.196 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 45.6 m -107.05 179.68 4.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.563 HD22 HD23 ' A' ' 46' ' ' LEU . 19.9 mt -89.21 -40.59 12.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 8.0 t -71.24 -12.79 61.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.103 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.461 ' HB3' HG22 ' A' ' 68' ' ' ILE . 11.6 mm100 -64.04 -57.09 10.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.936 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.78 ' HB3' HD13 ' A' ' 68' ' ' ILE . 0.5 OUTLIER -52.45 179.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 34' ' ' LEU . 21.4 m -74.4 131.33 40.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.14 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -78.96 147.83 32.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.727 ' OD1' HD22 ' A' ' 34' ' ' LEU . 4.2 t30 -120.98 61.52 0.89 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.922 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.751 ' H ' HD13 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -74.9 -5.88 46.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.484 ' N ' HD22 ' A' ' 78' ' ' LEU . 9.9 t -54.53 -41.31 69.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.116 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.503 HG21 ' HB3' ' A' ' 32' ' ' PRO . 23.3 m -62.21 -35.77 70.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.156 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 42.8 mt -70.72 -38.01 73.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.95 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.9 tmtt? -57.71 129.93 44.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 88.3 p -158.35 147.44 19.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 144.91 139.09 3.39 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.508 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -9.42 26.08 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.722 2.281 . . . . 0.0 112.339 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 6.2 t -78.16 88.39 4.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 84.4 p -51.17 -40.05 57.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 CA-C-O 119.122 -0.821 . . . . 0.0 112.51 -179.996 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.531 -0.228 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 m -158.44 143.1 16.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.865 0.364 . . . . 0.0 110.806 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 m -146.4 153.42 40.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.885 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.89 135.79 1.9 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.495 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.0 t -126.52 138.93 53.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.848 0.356 . . . . 0.0 110.845 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.6 p -114.18 157.43 22.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.55 147.43 17.09 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.515 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -140.63 178.63 7.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.862 0.363 . . . . 0.0 110.887 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.4 HD23 ' H ' ' A' ' 9' ' ' LEU . 1.8 pt? -123.73 148.69 46.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -116.63 103.57 10.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -111.85 14.71 21.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.116 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.642 HD13 HD12 ' A' ' 16' ' ' LEU . 3.4 mt -62.47 153.92 30.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.3 ptp180 -115.41 -31.6 5.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -76.76 168.91 19.26 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.886 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.4 m -99.12 43.48 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.079 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.642 HD12 HD13 ' A' ' 12' ' ' LEU . 20.5 mt -55.6 -18.14 7.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -107.42 153.37 22.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.902 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.446 ' O ' ' HA ' ' A' ' 22' ' ' MET . 53.9 t -66.58 136.29 94.79 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.638 0.732 . . . . 0.0 110.882 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.506 ' CD ' ' O ' ' A' ' 40' ' ' THR . 53.4 Cg_endo -69.77 0.5 5.56 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.636 2.224 . . . . 0.0 112.385 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 41.2 mt -115.12 -74.72 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.106 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 15.5 p -74.77 -26.13 59.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.446 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 16.3 mmt 63.86 52.47 2.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -120.38 129.56 53.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.789 ' O ' HG23 ' A' ' 26' ' ' THR . 65.5 p -41.79 105.09 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.77 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.459 ' CD2' HG21 ' A' ' 80' ' ' VAL . 17.9 m-85 -41.99 100.43 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.872 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.789 HG23 ' O ' ' A' ' 24' ' ' SER . 37.0 p -101.17 109.41 21.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.13 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -44.44 -38.3 3.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.94 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -45.82 -65.12 0.59 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.86 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 11.1 tp60 -116.67 -70.67 0.78 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.942 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 74.3 mt -65.86 75.44 0.08 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -80.73 128.58 71.38 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.586 0.708 . . . . 0.0 110.856 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.566 ' HB3' HG21 ' A' ' 80' ' ' VAL . 53.6 Cg_endo -69.75 119.59 6.52 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.651 2.234 . . . . 0.0 112.359 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm -121.8 132.57 54.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.875 HD11 ' O ' ' A' ' 38' ' ' GLY . 5.9 tp -96.47 132.74 41.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.699 HD21 ' CD1' ' A' ' 46' ' ' LEU . 63.4 mt -85.98 162.5 18.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.596 ' CD2' HG23 ' A' ' 66' ' ' THR . 19.0 m170 -58.48 -10.94 2.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.805 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.415 ' SG ' ' HB2' ' A' ' 35' ' ' LEU . 29.3 p -89.23 -47.29 8.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.858 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.875 ' O ' HD11 ' A' ' 34' ' ' LEU . . . 142.18 -29.37 2.18 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.507 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.427 ' O ' HD12 ' A' ' 34' ' ' LEU . 28.6 m170 -62.36 142.91 57.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.895 0.379 . . . . 0.0 110.847 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.52 ' OG1' HD13 ' A' ' 34' ' ' LEU . 87.9 m -104.58 131.93 51.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.167 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.541 HG22 ' HB2' ' A' ' 45' ' ' CYS . 10.6 mt -140.46 145.49 25.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.153 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.431 ' SG ' ' HB3' ' A' ' 44' ' ' GLN . 17.5 p -71.7 131.55 43.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 42' ' ' CYS . 2.3 ppt_? -37.38 -34.57 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.431 ' HB3' ' SG ' ' A' ' 42' ' ' CYS . 5.0 tt0 -56.7 -50.22 72.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.935 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.541 ' HB2' HG22 ' A' ' 41' ' ' ILE . 52.0 m -71.25 -40.17 71.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.699 ' CD1' HD21 ' A' ' 35' ' ' LEU . 6.1 tp -62.04 -41.0 97.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.892 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.725 ' OE1' HD21 ' A' ' 71' ' ' LEU . 4.5 mm-40 -55.85 -51.4 67.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -51.21 -36.67 42.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.526 HD13 ' O ' ' A' ' 58' ' ' ARG . 95.9 mt -75.52 -54.55 6.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.884 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.439 HD23 ' O ' ' A' ' 50' ' ' LEU . 2.2 tt -52.69 -35.3 55.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.31 -70.96 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.124 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.7 t -69.58 -40.51 76.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.841 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 36.6 m -51.76 -177.54 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.848 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.433 ' O ' ' N ' ' A' ' 56' ' ' GLY . 15.9 tt -157.29 154.8 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.111 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.429 ' C ' ' O ' ' A' ' 54' ' ' ILE . 75.1 m-20 35.59 34.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 54' ' ' ILE . . . 139.19 157.38 7.29 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.481 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 88.6 t -100.77 133.23 44.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.844 0.354 . . . . 0.0 111.106 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.526 ' O ' HD13 ' A' ' 49' ' ' LEU . 24.6 ttm180 -87.22 125.25 34.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.467 ' O ' ' HA ' ' A' ' 63' ' ' SER . 16.9 t -84.35 126.1 70.26 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.659 0.742 . . . . 0.0 110.916 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 3.82 2.57 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.696 2.264 . . . . 0.0 112.349 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -110.09 -63.5 1.37 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 22.3 p -99.04 -20.06 16.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.467 ' HA ' ' O ' ' A' ' 59' ' ' CYS . 5.3 p 65.73 43.05 3.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -103.06 100.74 10.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.9 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.414 ' CG2' ' HA3' ' A' ' 56' ' ' GLY . 48.5 mm -45.66 120.17 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.151 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.596 HG23 ' CD2' ' A' ' 36' ' ' HIS . 7.5 m -95.37 84.82 4.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 5.2 mmm180 -51.65 87.72 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.826 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.588 HG12 HG22 ' A' ' 66' ' ' THR . 1.3 pt -149.48 106.27 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.124 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 12.0 t -63.46 -29.31 70.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.155 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 50.3 m -112.73 165.87 11.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.725 HD21 ' OE1' ' A' ' 47' ' ' GLU . 91.2 mt -77.29 -28.76 53.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.906 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 8.7 t -83.42 -22.46 32.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.11 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.533 ' HB3' HG22 ' A' ' 68' ' ' ILE . 8.0 mm100 -50.8 -51.94 45.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.911 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.437 ' CA ' HG21 ' A' ' 68' ' ' ILE . 1.4 pp -52.59 -174.5 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.948 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 85.6 m -83.77 126.12 32.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.127 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -72.18 148.96 45.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.842 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.659 ' OD1' HD22 ' A' ' 34' ' ' LEU . 20.3 t30 -125.25 67.4 1.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.743 ' H ' HD13 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -78.98 12.47 2.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.938 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.3 t -76.63 -39.66 51.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.566 HG21 ' HB3' ' A' ' 32' ' ' PRO . 31.3 m -67.92 -26.91 35.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.151 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 87.3 mt -80.31 -36.42 34.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -149.58 148.36 29.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 35.9 t -87.28 110.68 20.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -136.52 120.28 2.15 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.492 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 94.85 0.54 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.672 2.248 . . . . 0.0 112.322 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 60.3 m -62.06 126.36 27.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 34.5 m -139.3 130.21 26.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.884 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 CA-C-O 119.118 -0.823 . . . . 0.0 112.502 -179.969 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.441 -0.264 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.1 t -160.58 167.82 26.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.913 0.387 . . . . 0.0 110.836 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.5 t -144.91 152.01 39.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.873 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.14 77.53 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.496 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.3 m -136.18 128.1 29.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.867 0.365 . . . . 0.0 110.853 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.2 t -119.02 164.17 15.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.824 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.37 92.74 0.29 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.474 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 31.6 p-10 -122.4 42.21 3.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.878 0.371 . . . . 0.0 110.898 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.7 tp -138.72 147.85 43.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -135.52 122.57 21.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -99.67 -27.47 13.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.132 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -54.24 111.31 0.75 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 30.8 ptt180 -112.11 -36.17 5.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -45.75 167.16 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 21.7 m -104.71 35.82 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.119 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 28.3 mt -47.5 -20.73 0.26 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -110.03 149.91 29.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.887 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.442 ' O ' ' HA ' ' A' ' 22' ' ' MET . 53.3 t -62.76 134.38 95.41 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.594 0.711 . . . . 0.0 110.904 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.485 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 54.0 Cg_endo -69.74 1.18 4.66 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.72 2.28 . . . . 0.0 112.336 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.488 HD12 ' HB3' ' A' ' 45' ' ' CYS . 25.4 mt -111.95 -74.59 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.158 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.414 ' SG ' ' HB3' ' A' ' 18' ' ' CYS . 6.0 p -73.77 -25.62 60.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.442 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 85.7 mmm 66.43 40.94 3.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.88 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -117.87 126.67 52.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.933 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.606 ' O ' HG23 ' A' ' 26' ' ' THR . 8.3 t -38.11 125.71 1.26 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 -179.743 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.565 ' CD2' HG21 ' A' ' 80' ' ' VAL . 29.3 m-85 -59.96 100.08 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.606 HG23 ' O ' ' A' ' 24' ' ' SER . 24.0 p -101.15 99.1 9.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.18 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 26' ' ' THR . 1.3 pp20? -36.95 -40.49 0.29 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -44.52 -59.87 2.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -118.28 -70.35 0.8 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.944 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 59.7 mt -69.67 82.91 0.43 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.938 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 56.1 mtm-85 -81.94 126.53 74.87 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.604 0.716 . . . . 0.0 110.897 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.603 ' HB3' HG21 ' A' ' 80' ' ' VAL . 53.9 Cg_endo -69.8 115.59 4.17 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.632 2.222 . . . . 0.0 112.389 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.444 ' NZ ' ' O ' ' A' ' 71' ' ' LEU . 14.2 mmmt -112.33 142.51 44.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.888 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.615 HD11 ' O ' ' A' ' 38' ' ' GLY . 6.7 tp -110.26 132.39 54.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.954 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.769 HD22 ' OG1' ' A' ' 66' ' ' THR . 90.3 mt -92.52 162.63 14.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.554 ' CD2' HG23 ' A' ' 66' ' ' THR . 19.0 m170 -60.85 -8.45 3.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 30.0 p -88.48 -43.18 11.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.615 ' O ' HD11 ' A' ' 34' ' ' LEU . . . 136.2 -30.65 2.7 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.454 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.406 ' CE1' ' HB3' ' A' ' 61' ' ' PHE . 23.1 m170 -61.1 141.17 57.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.847 0.356 . . . . 0.0 110.886 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.423 ' OG1' HD13 ' A' ' 34' ' ' LEU . 27.7 m -107.16 122.52 46.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.139 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.471 HG22 ' HB2' ' A' ' 45' ' ' CYS . 11.2 mt -130.7 148.22 33.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.1 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.443 ' SG ' ' HB3' ' A' ' 44' ' ' GLN . 16.8 p -72.13 148.66 45.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.4 ' HD2' ' C ' ' A' ' 43' ' ' ARG . 5.3 ppt_? -50.9 -36.64 39.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.443 ' HB3' ' SG ' ' A' ' 42' ' ' CYS . 6.0 tt0 -53.6 -51.87 61.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.488 ' HB3' HD12 ' A' ' 20' ' ' ILE . 76.8 m -72.75 -41.69 64.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.787 HD23 HD22 ' A' ' 71' ' ' LEU . 5.9 tp -61.09 -33.65 73.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.745 ' OE1' HD21 ' A' ' 71' ' ' LEU . 5.0 mm-40 -67.04 -49.69 64.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.928 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -50.62 -32.71 19.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.904 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 70.8 mt -84.08 -55.47 4.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.929 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.2 tt -50.0 -41.83 47.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -42.32 -66.43 0.36 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.082 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.9 t -63.69 -57.36 10.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.862 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.1 p -47.89 147.13 2.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.801 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.9 tt -127.24 -30.09 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.115 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -109.32 41.84 1.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.465 ' HA3' ' CG2' ' A' ' 65' ' ' ILE . . . 111.0 154.51 13.38 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.486 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 60.5 t -87.49 130.65 36.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.824 0.345 . . . . 0.0 111.11 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.437 ' HB3' ' NH1' ' A' ' 58' ' ' ARG . 20.5 ttp-105 -91.29 116.93 29.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.824 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 63' ' ' SER . 33.3 t -71.82 121.16 83.75 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.637 0.732 . . . . 0.0 110.904 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 3.3 2.84 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.695 2.263 . . . . 0.0 112.349 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.485 ' CZ ' ' HB2' ' A' ' 19' ' ' PRO . 33.3 m-85 -104.46 -55.35 2.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 24.8 p -109.04 -22.97 11.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.85 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.415 ' HA ' ' O ' ' A' ' 59' ' ' CYS . 8.5 t 71.13 48.74 0.36 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.865 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 76.8 mttt -114.18 100.74 8.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.465 ' CG2' ' HA3' ' A' ' 56' ' ' GLY . 44.9 mm -45.45 124.34 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.148 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.769 ' OG1' HD22 ' A' ' 35' ' ' LEU . 7.5 m -76.91 -28.45 55.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.174 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 10.7 mmm180 60.99 53.29 3.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.776 ' CD1' HD23 ' A' ' 74' ' ' LEU . 1.8 pt -131.47 116.98 33.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.135 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 11.9 t -84.46 34.93 0.53 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.088 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.472 ' O ' HD12 ' A' ' 68' ' ' ILE . 2.9 m -175.68 151.71 1.2 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.842 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.787 HD22 HD23 ' A' ' 46' ' ' LEU . 59.7 mt -70.73 -23.5 62.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 13.2 t -87.72 -26.9 22.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.158 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 -51.31 -60.81 2.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.776 HD23 ' CD1' ' A' ' 68' ' ' ILE . 2.3 pp -51.31 -175.14 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.948 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 98.8 m -87.43 127.14 35.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.104 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -71.68 156.23 39.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -127.43 68.31 1.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.641 ' H ' HD13 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -85.02 16.26 3.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.4 t -83.36 -30.06 27.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.119 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.603 HG21 ' HB3' ' A' ' 32' ' ' PRO . 15.3 m -72.65 -26.9 24.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.085 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 74.1 mt -72.86 -40.4 65.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.454 ' O ' ' C ' ' A' ' 83' ' ' SER . 40.7 mmtt -92.43 40.09 1.04 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.454 ' C ' ' O ' ' A' ' 82' ' ' LYS . 18.6 t 33.84 42.07 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -67.21 115.63 7.32 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.44 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 91.4 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.68 2.253 . . . . 0.0 112.341 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 29.8 p -108.63 123.85 49.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 33.2 t -120.29 121.59 38.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 119.187 -0.785 . . . . 0.0 112.494 -179.979 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 3' ' ' SER . 3.8 t -59.77 -56.72 18.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.896 0.379 . . . . 0.0 110.862 -179.749 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 2' ' ' SER . 52.9 p -35.01 145.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.831 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.11 122.02 0.74 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.443 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.8 p -160.4 115.55 2.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.873 0.368 . . . . 0.0 110.868 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.5 t -124.68 99.36 6.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.852 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.38 106.36 2.84 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.495 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -120.18 41.68 3.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.865 0.365 . . . . 0.0 110.909 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -52.8 176.18 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.967 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -133.76 114.06 12.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -94.15 -56.62 2.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.076 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -56.0 169.17 0.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.43 ' C ' ' OE1' ' A' ' 14' ' ' GLU . 9.3 ptm180 -107.89 40.73 1.67 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.43 ' OE1' ' C ' ' A' ' 13' ' ' ARG . 0.7 OUTLIER -119.68 166.7 12.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.926 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.474 ' O ' ' N ' ' A' ' 17' ' ' GLU . 33.0 m -103.64 32.76 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.128 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.9 mt -39.95 -25.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.913 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 15' ' ' VAL . 4.3 mt-10 -109.32 150.31 28.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.452 ' O ' ' HA ' ' A' ' 22' ' ' MET . 53.6 t -62.85 135.87 96.2 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.595 0.712 . . . . 0.0 110.85 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.58 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 53.6 Cg_endo -69.75 0.22 5.95 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.69 2.26 . . . . 0.0 112.329 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.558 HD11 HD13 ' A' ' 41' ' ' ILE . 47.6 mt -114.71 -74.06 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.122 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 20.8 p -75.82 -27.03 57.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.452 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 7.1 mmt 66.07 49.33 1.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.466 ' HB3' HD13 ' A' ' 30' ' ' LEU . 5.5 mm-40 -119.22 126.81 52.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 99.9 p -39.85 121.19 1.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.836 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.596 ' CD2' HG21 ' A' ' 80' ' ' VAL . 31.0 m-85 -59.84 106.69 0.52 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.887 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.71 ' O ' HD21 ' A' ' 81' ' ' LEU . 39.0 p -85.56 -174.44 5.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.146 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.436 ' HG2' HD22 ' A' ' 81' ' ' LEU . 2.3 mm-40 -96.4 -63.61 1.13 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -83.99 27.13 0.67 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.5 ' O ' ' C ' ' A' ' 30' ' ' LEU . 3.0 tp60 -173.38 171.35 4.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.568 ' CD2' ' NE2' ' A' ' 44' ' ' GLN . 25.5 mt 30.22 45.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.937 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.9 mtp85 -58.69 128.73 84.18 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.637 0.732 . . . . 0.0 110.877 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.539 ' HB3' HG21 ' A' ' 80' ' ' VAL . 53.6 Cg_endo -69.8 113.34 3.35 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.652 2.235 . . . . 0.0 112.359 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.403 ' NZ ' ' HB3' ' A' ' 71' ' ' LEU . 3.0 mmmm -112.28 130.55 55.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.664 HD11 ' O ' ' A' ' 38' ' ' GLY . 6.8 tp -97.76 132.75 43.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.583 HD22 ' OG1' ' A' ' 66' ' ' THR . 87.2 mt -91.49 162.61 14.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.914 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.539 ' CD2' HG23 ' A' ' 66' ' ' THR . 21.7 m170 -62.34 -6.95 3.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.401 ' SG ' ' HB2' ' A' ' 35' ' ' LEU . 29.9 p -88.92 -45.14 9.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.664 ' O ' HD11 ' A' ' 34' ' ' LEU . . . 139.33 -30.2 2.45 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.473 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.452 ' O ' HD12 ' A' ' 34' ' ' LEU . 26.4 m170 -64.24 144.21 57.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.847 0.356 . . . . 0.0 110.869 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.484 ' OG1' HD13 ' A' ' 34' ' ' LEU . 28.7 m -110.7 122.61 48.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.186 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.558 HD13 HD11 ' A' ' 20' ' ' ILE . 55.7 mt -131.15 152.26 37.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.134 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.446 ' SG ' ' HB3' ' A' ' 44' ' ' GLN . 16.3 p -72.03 147.51 46.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.528 ' HG3' ' N ' ' A' ' 44' ' ' GLN . 3.3 ptt180 -53.04 -32.19 45.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.568 ' NE2' ' CD2' ' A' ' 30' ' ' LEU . 6.7 tt0 -57.81 -45.07 86.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.922 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.489 ' HB2' ' CG2' ' A' ' 41' ' ' ILE . 92.7 m -79.81 -32.07 40.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.743 HD23 HD22 ' A' ' 71' ' ' LEU . 5.2 tp -70.27 -33.29 71.41 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.628 ' OE2' HD11 ' A' ' 71' ' ' LEU . 4.6 mm-40 -68.75 -45.91 70.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.88 -30.02 65.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.901 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 95.9 mt -85.37 -51.55 6.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.935 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.645 HD13 HD23 ' A' ' 71' ' ' LEU . 1.7 tt -53.32 -42.19 66.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.89 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -47.82 -57.44 5.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.109 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.6 t -60.89 -67.33 0.41 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.5 m -54.63 160.56 1.78 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.874 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.464 HG23 ' N ' ' A' ' 55' ' ' ASN . 13.3 tt -129.58 -43.18 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.14 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.464 ' N ' HG23 ' A' ' 54' ' ' ILE . 68.8 m-80 -88.99 37.67 0.86 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.402 ' HA3' ' CG2' ' A' ' 65' ' ' ILE . . . 126.31 -161.11 20.71 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.485 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.471 HG22 ' HA ' ' A' ' 50' ' ' LEU . 86.1 t -135.35 113.65 15.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.797 0.332 . . . . 0.0 111.128 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.434 ' HB3' ' NH1' ' A' ' 58' ' ' ARG . 20.5 ttp-105 -73.74 118.49 16.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.451 ' O ' ' HA ' ' A' ' 63' ' ' SER . 35.4 t -71.41 127.99 90.57 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.614 0.721 . . . . 0.0 110.913 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 3.6 2.68 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.676 2.251 . . . . 0.0 112.343 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.58 ' CZ ' ' HB2' ' A' ' 19' ' ' PRO . 28.7 m-85 -112.9 -59.01 2.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 26.6 p -103.15 -18.93 14.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.451 ' HA ' ' O ' ' A' ' 59' ' ' CYS . 5.7 t 61.86 46.32 6.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.833 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 38.6 mttm -110.23 95.0 5.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.855 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.402 ' CG2' ' HA3' ' A' ' 56' ' ' GLY . 45.7 mm -37.73 124.75 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.154 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.583 ' OG1' HD22 ' A' ' 35' ' ' LEU . 18.1 m -77.41 -28.48 52.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 7.2 mmt180 64.88 54.84 1.26 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.659 ' CD1' HD23 ' A' ' 74' ' ' LEU . 1.1 pt -132.23 124.55 52.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.158 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.41 HG23 ' OE1' ' A' ' 73' ' ' GLN . 1.2 p -68.49 -46.39 69.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.131 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.2 p -104.29 173.29 6.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.743 HD22 HD23 ' A' ' 46' ' ' LEU . 15.8 mt -79.87 -41.4 26.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 11.2 t -68.23 -7.39 30.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.166 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.608 ' HB3' HG22 ' A' ' 68' ' ' ILE . 2.9 mt-30 -67.26 -61.55 1.86 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.659 HD23 ' CD1' ' A' ' 68' ' ' ILE . 1.7 pp -49.23 -179.53 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.466 ' O ' ' N ' ' A' ' 34' ' ' LEU . 85.7 m -77.5 135.5 38.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.171 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -82.43 150.6 27.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.464 ' ND2' HG22 ' A' ' 79' ' ' THR . 24.2 t-20 -124.36 67.25 1.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.868 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.705 ' H ' HD13 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -81.75 14.94 2.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.943 179.913 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.464 HG22 ' ND2' ' A' ' 77' ' ' ASN . 15.2 t -79.21 -31.21 43.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.118 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.596 HG21 ' CD2' ' A' ' 25' ' ' PHE . 18.7 m -78.37 -26.55 14.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.122 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.71 HD21 ' O ' ' A' ' 26' ' ' THR . 64.5 mt -79.36 -37.35 37.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 34.4 mmtt -80.84 172.24 13.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 46.2 p -57.68 161.83 3.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.824 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -79.24 145.8 28.5 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.477 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 111.86 2.93 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.646 2.231 . . . . 0.0 112.352 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 6.3 t -94.36 122.32 36.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 17.2 t -76.74 86.64 3.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.252 0 CA-C-O 119.183 -0.787 . . . . 0.0 112.432 -179.992 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t -168.24 136.54 2.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.831 0.348 . . . . 0.0 110.86 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 t -100.32 164.06 12.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.829 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.15 90.67 0.12 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.473 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.3 p -133.66 98.53 4.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.875 0.369 . . . . 0.0 110.891 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.2 m -150.58 154.97 38.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.852 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.94 148.83 20.77 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.484 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 11.6 p-10 -164.84 177.75 7.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.863 0.363 . . . . 0.0 110.925 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.8 tp -89.18 140.01 29.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.951 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -98.18 97.56 8.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.813 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -105.22 -36.5 7.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -56.45 157.15 5.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.903 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 31.3 ptt180 -98.64 36.0 1.73 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -119.51 176.81 5.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 17' ' ' GLU . 34.1 m -120.72 36.89 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.127 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 66.0 mt -41.21 -24.88 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.951 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 15' ' ' VAL . 9.7 mt-10 -106.1 152.52 23.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.884 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.457 ' O ' ' HA ' ' A' ' 22' ' ' MET . 53.3 t -68.04 135.89 91.78 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.641 0.734 . . . . 0.0 110.843 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.527 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 53.3 Cg_endo -69.8 0.45 5.66 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.693 2.262 . . . . 0.0 112.32 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.508 HD12 ' HB3' ' A' ' 45' ' ' CYS . 36.1 mt -113.81 -75.29 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.152 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 11.1 p -73.57 -26.91 61.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.879 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.457 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 7.8 mmt 67.54 43.13 1.96 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.896 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.42 ' HB3' ' CD1' ' A' ' 30' ' ' LEU . 28.0 mm-40 -117.64 126.85 53.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 23' ' ' GLU . 6.3 t -36.28 129.75 0.7 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.866 -179.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.602 ' CD2' HG21 ' A' ' 80' ' ' VAL . 15.4 m-85 -66.64 101.07 0.74 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.88 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 46.0 p -96.16 137.85 34.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.104 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -82.02 11.49 5.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -106.72 -43.86 4.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -126.63 -68.54 0.8 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.929 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.555 HD21 ' NE2' ' A' ' 44' ' ' GLN . 21.7 mt -78.76 82.03 5.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 38.1 mtp180 -81.15 128.32 71.11 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.596 0.713 . . . . 0.0 110.847 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.617 ' HB3' HG21 ' A' ' 80' ' ' VAL . 54.0 Cg_endo -69.72 121.58 8.27 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.714 2.276 . . . . 0.0 112.392 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.9 mmmt -119.11 136.92 53.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.928 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.604 HD11 ' O ' ' A' ' 38' ' ' GLY . 5.9 tp -104.69 128.17 52.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.473 HD21 ' CD1' ' A' ' 46' ' ' LEU . 70.8 mt -86.53 162.5 18.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.969 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.54 ' CD2' HG23 ' A' ' 66' ' ' THR . 22.3 m170 -62.27 -7.28 4.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.4 p -90.33 -44.13 9.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.604 ' O ' HD11 ' A' ' 34' ' ' LEU . . . 139.47 -32.14 2.27 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.492 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.405 ' ND1' ' HB2' ' A' ' 61' ' ' PHE . 23.4 m170 -60.92 140.86 57.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.87 0.367 . . . . 0.0 110.855 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.453 ' O ' ' CD ' ' A' ' 19' ' ' PRO . 4.5 m -107.54 119.59 39.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.126 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.504 HD13 HD11 ' A' ' 20' ' ' ILE . 45.1 mt -129.0 149.18 33.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.1 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.45 ' SG ' ' HB3' ' A' ' 44' ' ' GLN . 16.1 p -71.97 143.15 49.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.853 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.489 ' HG3' ' N ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -47.82 -36.92 12.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.555 ' NE2' HD21 ' A' ' 30' ' ' LEU . 12.4 tt0 -53.91 -47.17 71.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.508 ' HB3' HD12 ' A' ' 20' ' ' ILE . 58.0 m -76.13 -34.66 59.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.745 HD23 HD22 ' A' ' 71' ' ' LEU . 5.8 tp -67.02 -31.89 72.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -65.02 -47.21 78.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.14 -37.22 64.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.916 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 58.4 mt -79.22 -50.27 11.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.656 HD13 HD23 ' A' ' 71' ' ' LEU . 1.5 tt -58.54 -31.03 67.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.09 -58.26 7.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.054 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 32.6 t -64.81 -41.98 95.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.0 p -52.76 -174.66 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.835 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.594 HG23 ' N ' ' A' ' 55' ' ' ASN . 1.2 tp -113.49 -53.51 5.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.165 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.594 ' N ' HG23 ' A' ' 54' ' ' ILE . 42.2 m-80 -132.89 -38.77 0.98 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.41 ' HA3' ' CG2' ' A' ' 65' ' ' ILE . . . -106.56 172.0 17.95 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.497 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.439 HG11 HD12 ' A' ' 46' ' ' LEU . 89.5 t -117.16 101.89 12.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.778 0.323 . . . . 0.0 111.142 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 23.0 ttm180 -63.91 114.58 4.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.484 ' O ' ' N ' ' A' ' 63' ' ' SER . 18.8 t -68.43 124.23 89.42 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.579 0.704 . . . . 0.0 110.886 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 3.97 2.46 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.706 2.27 . . . . 0.0 112.352 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.527 ' CZ ' ' HB2' ' A' ' 19' ' ' PRO . 28.4 m-85 -110.87 -52.37 2.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 27.7 p -113.06 -11.73 13.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.484 ' N ' ' O ' ' A' ' 59' ' ' CYS . 63.6 m 53.86 51.69 14.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.827 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.467 ' O ' ' C ' ' A' ' 65' ' ' ILE . 49.0 mttm -114.77 88.42 2.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.467 ' C ' ' O ' ' A' ' 64' ' ' LYS . 29.3 mm -30.93 129.77 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.54 HG23 ' CD2' ' A' ' 36' ' ' HIS . 21.6 m -86.25 -27.25 24.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.124 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 20.5 mmt180 64.47 53.76 1.59 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.911 HD13 ' HB3' ' A' ' 74' ' ' LEU . 2.2 pt -134.59 105.34 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.153 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.573 HG22 ' NE2' ' A' ' 73' ' ' GLN . 5.8 t -61.68 -30.53 70.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.121 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.2 t -106.12 168.38 9.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.745 HD22 HD23 ' A' ' 46' ' ' LEU . 49.4 mt -85.37 -21.76 28.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.932 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 15.2 t -88.83 -24.93 22.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.166 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.573 ' NE2' HG22 ' A' ' 69' ' ' THR . 5.7 mt-30 -50.22 -52.91 31.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.911 ' HB3' HD13 ' A' ' 68' ' ' ILE . 2.4 pp -53.69 -174.21 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 86.9 m -88.14 123.83 33.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.196 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -68.93 153.18 44.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.874 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.453 ' OD1' HG22 ' A' ' 80' ' ' VAL . 22.8 t-20 -124.76 66.98 1.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.943 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.718 ' H ' HD13 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -80.98 12.87 3.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.7 t -79.69 -35.7 38.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.131 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.617 HG21 ' HB3' ' A' ' 32' ' ' PRO . 17.1 m -70.76 -23.94 24.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.121 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 21.8 mt -81.0 -35.34 32.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.95 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 83' ' ' SER . 15.5 tptp -172.38 147.28 1.92 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.922 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 82' ' ' LYS . 1.8 t -36.51 104.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.907 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -78.73 146.1 29.49 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.498 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 128.82 16.57 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.694 2.262 . . . . 0.0 112.325 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.4 m -39.97 -46.64 2.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.7 m -85.43 171.39 11.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.824 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 CA-C-O 119.103 -0.832 . . . . 0.0 112.432 -180.0 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.0 m -141.42 114.92 8.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.885 0.374 . . . . 0.0 110.859 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.3 t -131.61 148.95 52.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.67 161.16 40.16 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.464 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.6 p -162.53 140.46 8.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.87 0.367 . . . . 0.0 110.886 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 t -94.72 89.49 5.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.849 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.3 126.68 5.59 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.461 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -115.05 110.77 20.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.873 0.368 . . . . 0.0 110.873 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.504 ' C ' HD12 ' A' ' 9' ' ' LEU . 4.4 pp -167.15 163.99 15.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -136.3 107.83 6.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.835 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 12' ' ' LEU . . . -125.13 -44.85 1.88 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.109 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 11' ' ' ALA . 4.1 mm? -36.72 146.32 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.957 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.7 ptp180 -99.22 -42.79 6.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.827 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -47.18 172.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 28.2 m -101.47 35.81 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.151 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 27.6 mt -44.83 -23.17 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.965 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -112.04 140.81 46.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.462 ' O ' ' HA ' ' A' ' 22' ' ' MET . 53.5 t -55.07 135.77 67.64 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.635 0.731 . . . . 0.0 110.879 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.535 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 53.9 Cg_endo -69.73 0.18 6.0 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.744 2.296 . . . . 0.0 112.363 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 30.3 mt -113.41 -73.86 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.121 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.4 ' SG ' ' HB3' ' A' ' 18' ' ' CYS . 11.2 p -75.59 -26.71 58.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.877 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.462 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 14.9 mmt 66.41 51.54 1.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.844 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.442 ' HB3' ' CD1' ' A' ' 30' ' ' LEU . 15.4 mt-10 -121.08 135.0 55.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.866 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 24.3 p -44.7 130.44 7.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.53 ' CG ' ' HB3' ' A' ' 32' ' ' PRO . 28.8 m-85 -75.36 101.02 4.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.5 t -121.8 137.04 54.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.115 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -75.88 48.72 0.49 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -132.97 -44.04 0.87 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 42.0 tp60 -132.55 -35.48 1.13 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.941 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.442 ' CD1' ' HB3' ' A' ' 23' ' ' GLU . 4.7 mt -121.69 107.37 12.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.972 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 64.2 mtm180 -96.62 124.02 52.09 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.591 0.71 . . . . 0.0 110.883 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.53 ' HB3' ' CG ' ' A' ' 25' ' ' PHE . 53.9 Cg_endo -69.84 113.71 3.48 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.696 2.264 . . . . 0.0 112.332 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.8 mmmt -114.16 134.05 55.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.792 HD11 ' O ' ' A' ' 38' ' ' GLY . 5.7 tp -98.05 129.13 44.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.912 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.744 HD21 ' CD1' ' A' ' 46' ' ' LEU . 84.8 mt -85.36 162.64 18.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.939 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.449 ' CD2' HG23 ' A' ' 66' ' ' THR . 22.8 m170 -58.95 -10.12 2.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.463 ' CB ' ' HD2' ' A' ' 64' ' ' LYS . 28.9 p -89.16 -47.02 8.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.862 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.792 ' O ' HD11 ' A' ' 34' ' ' LEU . . . 141.05 -29.49 2.31 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.48 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 28.5 m170 -61.89 142.76 57.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.88 0.371 . . . . 0.0 110.837 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.507 ' O ' ' CD ' ' A' ' 19' ' ' PRO . 90.4 m -105.41 123.52 48.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.112 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.54 HG22 ' HB2' ' A' ' 45' ' ' CYS . 10.6 mt -130.87 146.11 34.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.112 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.468 ' SG ' ' HB3' ' A' ' 44' ' ' GLN . 19.0 p -71.46 135.81 47.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.413 ' HD3' ' C ' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -41.81 -31.49 0.32 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.84 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.468 ' HB3' ' SG ' ' A' ' 42' ' ' CYS . 5.1 tt0 -58.85 -50.25 74.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.54 ' HB2' HG22 ' A' ' 41' ' ' ILE . 63.6 m -72.44 -41.4 66.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.853 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.744 ' CD1' HD21 ' A' ' 35' ' ' LEU . 5.6 tp -63.46 -36.95 85.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.579 ' CD ' HD11 ' A' ' 71' ' ' LEU . 3.5 mm-40 -60.14 -49.69 76.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.66 -36.55 57.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 90.4 mt -77.33 -54.03 6.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.925 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.415 ' HA ' HG22 ' A' ' 57' ' ' VAL . 3.3 tt -52.38 -43.48 64.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -39.83 -68.83 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.133 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.6 t -63.28 -53.42 53.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.828 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.6 m -46.16 152.82 0.37 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.825 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 9.8 tt -131.1 -33.15 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.122 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 71.2 m-20 -110.52 40.87 1.88 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 112.64 158.0 13.46 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.49 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.415 HG22 ' HA ' ' A' ' 50' ' ' LEU . 47.6 t -89.86 135.84 25.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.804 0.335 . . . . 0.0 111.12 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 56.3 ttp85 -94.01 118.24 31.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.43 ' O ' ' HA ' ' A' ' 63' ' ' SER . 34.4 t -71.89 127.2 90.99 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.624 0.726 . . . . 0.0 110.901 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 2.96 3.08 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.722 2.281 . . . . 0.0 112.281 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.535 ' CZ ' ' HB2' ' A' ' 19' ' ' PRO . 24.4 m-85 -109.74 -67.13 1.01 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.873 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 27.4 p -97.72 -21.09 17.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.865 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.43 ' HA ' ' O ' ' A' ' 59' ' ' CYS . 20.2 m 66.26 45.57 2.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.467 ' O ' ' C ' ' A' ' 65' ' ' ILE . 85.9 mttt -99.44 87.31 3.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.467 ' C ' ' O ' ' A' ' 64' ' ' LYS . 42.7 mm -32.52 125.68 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.134 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.449 HG23 ' CD2' ' A' ' 36' ' ' HIS . 0.8 OUTLIER -104.83 82.58 1.9 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.178 179.92 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.7 mpt_? -51.52 90.07 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.87 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.526 HG22 ' HB3' ' A' ' 73' ' ' GLN . 1.1 pt -151.73 106.98 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.111 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.467 ' N ' ' OE1' ' A' ' 73' ' ' GLN . 3.6 t -62.41 -36.94 83.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.152 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.6 t -107.05 161.17 14.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.657 ' CD2' HD23 ' A' ' 46' ' ' LEU . 27.6 mt -75.09 -26.47 59.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.959 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 7.0 t -85.07 -7.46 59.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.093 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.526 ' HB3' HG22 ' A' ' 68' ' ' ILE . 10.1 mt-30 -67.84 -53.94 22.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.917 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.496 ' C ' HD12 ' A' ' 74' ' ' LEU . 1.6 pp -53.78 -174.26 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.954 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 85.4 m -82.96 129.53 35.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.16 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.39 149.8 31.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.851 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.459 ' OD1' HD22 ' A' ' 34' ' ' LEU . 24.8 t30 -124.58 66.26 1.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.622 ' H ' HD13 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -82.12 19.67 1.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.2 t -84.94 -34.8 22.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.172 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.483 ' CG2' ' HG3' ' A' ' 32' ' ' PRO . 18.7 m -68.87 -34.94 67.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.133 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.526 HD23 ' O ' ' A' ' 25' ' ' PHE . 5.0 mt -70.75 -38.15 73.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.454 ' C ' ' O ' ' A' ' 81' ' ' LEU . 10.1 tmtt? -33.84 121.32 0.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 92.0 p -161.44 132.76 5.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 159.83 -168.79 35.67 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.49 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 86' ' ' SER . 53.4 Cg_endo -69.77 153.56 68.75 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.701 2.268 . . . . 0.0 112.336 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 85' ' ' PRO . 23.1 p -37.63 -56.16 1.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.876 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 47.0 t -121.09 141.54 50.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.828 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 CA-C-O 119.132 -0.815 . . . . 0.0 112.484 179.985 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.8 t -110.01 139.28 45.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.948 0.404 . . . . 0.0 110.832 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.3 p -55.86 -55.18 35.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.898 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.25 -135.48 24.05 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.516 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.4 t 53.18 42.79 32.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.837 0.351 . . . . 0.0 110.837 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.4 m -107.42 99.25 8.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.864 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.07 140.42 13.57 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.495 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 22.3 p-10 -96.96 171.41 8.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.857 0.36 . . . . 0.0 110.926 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -147.05 166.04 28.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -122.85 108.78 13.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -116.76 -54.29 2.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.137 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.1 mp -63.17 164.9 7.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.1 ptt-85 -99.05 -25.71 14.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -67.6 161.42 25.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 17' ' ' GLU . 33.8 m -107.02 35.03 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.154 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.48 ' O ' ' CD2' ' A' ' 25' ' ' PHE . 23.2 mt -41.46 -24.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.939 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 15' ' ' VAL . 4.2 mt-10 -106.0 135.61 47.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.454 ' O ' ' HA ' ' A' ' 22' ' ' MET . 53.8 t -51.53 136.66 32.78 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.611 0.719 . . . . 0.0 110.94 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.405 ' HD2' ' SG ' ' A' ' 18' ' ' CYS . 53.8 Cg_endo -69.81 0.41 5.72 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.677 2.251 . . . . 0.0 112.305 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.508 HD12 ' HB3' ' A' ' 45' ' ' CYS . 16.5 mt -114.3 -74.35 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.097 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.403 ' SG ' ' HB3' ' A' ' 18' ' ' CYS . 8.6 p -74.81 -25.84 59.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.867 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.454 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 3.9 mmt 63.08 45.53 5.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.432 ' HB3' ' CD1' ' A' ' 30' ' ' LEU . 23.4 mm-40 -114.66 126.33 54.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.713 ' O ' HG23 ' A' ' 26' ' ' THR . 31.8 p -37.13 103.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.89 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.557 ' CD2' HG11 ' A' ' 80' ' ' VAL . 17.0 m-85 -39.77 99.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.865 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.713 HG23 ' O ' ' A' ' 24' ' ' SER . 58.7 p -97.07 131.34 43.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.13 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -72.64 -18.11 61.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -70.21 -53.11 18.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -122.79 -70.62 0.77 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.432 ' CD1' ' HB3' ' A' ' 23' ' ' GLU . 34.0 mt -68.78 70.91 0.2 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 30.8 mtm105 -73.55 122.33 87.34 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.61 0.719 . . . . 0.0 110.895 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.533 ' HB3' ' CG ' ' A' ' 25' ' ' PHE . 53.9 Cg_endo -69.83 123.63 10.27 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.653 2.236 . . . . 0.0 112.351 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.463 ' HB3' HD11 ' A' ' 74' ' ' LEU . 0.4 OUTLIER -123.93 143.53 50.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 179.918 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.688 HD11 ' O ' ' A' ' 38' ' ' GLY . 6.7 tp -103.04 132.64 49.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.593 HD21 ' CD1' ' A' ' 46' ' ' LEU . 75.3 mt -88.22 162.84 16.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.826 ' CD2' HG23 ' A' ' 66' ' ' THR . 21.3 m170 -61.93 -7.47 3.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.832 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.401 ' SG ' ' HB2' ' A' ' 35' ' ' LEU . 26.6 p -89.28 -48.34 7.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.688 ' O ' HD11 ' A' ' 34' ' ' LEU . . . 142.31 -25.9 2.32 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.468 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.467 ' O ' HD12 ' A' ' 34' ' ' LEU . 30.2 m170 -69.28 146.84 51.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.855 0.359 . . . . 0.0 110.869 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.575 HG21 ' OD1' ' A' ' 77' ' ' ASN . 98.6 m -109.93 125.72 53.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.175 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.481 ' CG2' ' HB2' ' A' ' 45' ' ' CYS . 56.0 mt -134.38 150.91 31.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.089 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.461 ' SG ' ' HB3' ' A' ' 44' ' ' GLN . 19.3 p -74.84 145.51 42.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.891 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.4 ' HG3' ' N ' ' A' ' 44' ' ' GLN . 0.5 OUTLIER -47.07 -37.03 8.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.906 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.461 ' HB3' ' SG ' ' A' ' 42' ' ' CYS . 7.2 tt0 -53.41 -58.45 7.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.508 ' HB3' HD12 ' A' ' 20' ' ' ILE . 95.8 m -65.29 -42.19 93.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.767 HD21 HD21 ' A' ' 74' ' ' LEU . 5.2 tp -62.34 -28.64 69.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.91 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.874 ' OE2' HD11 ' A' ' 71' ' ' LEU . 5.3 mm-40 -69.67 -47.35 63.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -53.51 -34.69 59.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.853 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.438 ' CD1' ' HD3' ' A' ' 60' ' ' PRO . 95.1 mt -80.35 -54.22 5.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.906 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.495 HD13 HD23 ' A' ' 71' ' ' LEU . 1.4 tt -52.52 -43.86 65.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.941 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -37.89 -66.04 0.28 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.111 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.7 t -69.86 -47.71 61.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.2 m -50.89 140.89 14.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.835 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 15.6 tt -128.83 -30.09 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.161 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -103.18 22.25 14.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.415 ' HA3' HG23 ' A' ' 65' ' ' ILE . . . 125.71 150.87 7.8 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.465 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.407 HG21 HD12 ' A' ' 50' ' ' LEU . 57.2 t -80.51 119.97 31.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.843 0.354 . . . . 0.0 111.093 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 41.3 ttt-85 -85.27 116.48 23.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.85 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.437 ' O ' ' HA ' ' A' ' 63' ' ' SER . 53.2 t -64.23 128.95 93.77 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.583 0.706 . . . . 0.0 110.917 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.438 ' HD3' ' CD1' ' A' ' 49' ' ' LEU . 53.7 Cg_endo -69.73 3.25 2.87 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.663 2.242 . . . . 0.0 112.327 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -115.59 -63.36 1.46 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.855 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 31.7 p -100.27 -12.5 19.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.437 ' HA ' ' O ' ' A' ' 59' ' ' CYS . 89.5 p 51.65 47.04 25.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.468 ' O ' ' C ' ' A' ' 65' ' ' ILE . 26.1 mtpt -100.12 87.82 3.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.892 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.468 ' C ' ' O ' ' A' ' 64' ' ' LYS . 44.4 mm -32.15 123.95 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.116 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.826 HG23 ' CD2' ' A' ' 36' ' ' HIS . 17.9 m -83.4 -29.02 28.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.124 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 8.5 mmt180 63.75 53.99 1.89 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.589 ' CD1' HD23 ' A' ' 74' ' ' LEU . 1.5 pt -123.3 156.86 29.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.105 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 12.3 t -122.62 31.69 6.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.092 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.407 ' C ' ' N ' ' A' ' 72' ' ' THR . 1.4 t -175.54 128.33 0.26 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.856 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.874 HD11 ' OE2' ' A' ' 47' ' ' GLU . 46.2 mt -43.68 -22.95 0.06 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.933 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.425 ' O ' ' C ' ' A' ' 73' ' ' GLN . 9.0 t -90.6 -38.13 13.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.177 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.472 ' HB3' HG22 ' A' ' 68' ' ' ILE . 11.6 mm100 -35.65 -59.85 0.54 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.767 HD21 HD21 ' A' ' 46' ' ' LEU . 1.9 pp -50.86 -175.35 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.916 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.427 HG22 ' N ' ' A' ' 76' ' ' ASP . 88.1 m -79.81 154.77 28.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.161 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.427 ' N ' HG22 ' A' ' 75' ' ' THR . 2.8 m-20 -98.29 154.75 17.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.879 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.695 ' OD1' HG13 ' A' ' 80' ' ' VAL . 27.9 t-20 -127.8 59.72 1.46 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.776 ' H ' HD13 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -72.49 2.42 6.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.952 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.433 ' N ' HD22 ' A' ' 78' ' ' LEU . 15.3 t -67.61 -36.03 80.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.208 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.695 HG13 ' OD1' ' A' ' 77' ' ' ASN . 34.1 m -68.37 -33.4 60.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.118 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 14.1 mt -75.63 -36.54 60.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.906 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 12.6 tmtt? -83.93 125.36 31.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 28.0 t -136.93 123.86 21.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -142.64 142.76 11.87 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.46 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -1.43 8.41 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.688 2.259 . . . . 0.0 112.373 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 21.6 m -144.56 151.02 38.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.858 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 36.7 m -86.72 85.57 7.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.895 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.258 0 CA-C-O 119.127 -0.818 . . . . 0.0 112.459 -179.964 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.7 p -155.46 176.71 12.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.847 0.356 . . . . 0.0 110.869 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.0 p -153.28 169.91 21.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.871 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.75 110.75 2.84 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.537 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.0 t -166.86 158.35 12.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.881 0.372 . . . . 0.0 110.857 -179.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 m -123.25 166.91 14.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.829 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.42 178.19 35.31 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.479 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -158.16 117.24 3.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.824 0.345 . . . . 0.0 110.85 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.439 ' O ' ' CG ' ' A' ' 10' ' ' ASP . 9.2 tp -125.81 159.79 31.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.927 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.439 ' CG ' ' O ' ' A' ' 9' ' ' LEU . 6.9 m-20 -162.39 122.89 2.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -88.39 15.76 7.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.3 mp -61.86 176.85 0.49 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.8 ptt180 -86.24 -31.84 21.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -58.21 167.4 1.32 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 32.7 m -102.41 38.53 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.175 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.419 ' O ' ' CD2' ' A' ' 25' ' ' PHE . 16.6 mt -43.88 -27.72 0.38 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -104.19 157.44 17.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.926 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.433 ' O ' ' HA ' ' A' ' 22' ' ' MET . 54.1 t -69.62 135.38 88.24 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.66 0.743 . . . . 0.0 110.864 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.501 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 53.1 Cg_endo -69.81 0.67 5.35 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.698 2.265 . . . . 0.0 112.304 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.543 HD12 ' HB3' ' A' ' 45' ' ' CYS . 35.2 mt -112.1 -73.92 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.149 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 6.5 p -75.77 -28.69 58.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.859 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.433 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 82.2 mmm 69.08 45.13 0.93 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -116.59 124.03 48.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.702 ' O ' HG23 ' A' ' 26' ' ' THR . 58.4 p -39.66 105.19 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.823 -179.766 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.559 ' CD2' HG21 ' A' ' 80' ' ' VAL . 22.3 m-85 -35.79 98.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.872 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.702 HG23 ' O ' ' A' ' 24' ' ' SER . 30.6 p -97.11 98.21 9.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.165 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 26' ' ' THR . 2.2 tt0 -37.11 -39.44 0.25 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.924 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -46.66 -61.54 1.79 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.837 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -116.23 -73.01 0.66 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.943 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.8 mt -66.35 83.6 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.93 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 20.6 mtt85 -84.3 128.62 61.31 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.569 0.7 . . . . 0.0 110.915 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.534 ' HB3' HG21 ' A' ' 80' ' ' VAL . 53.8 Cg_endo -69.72 115.28 4.01 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.718 2.279 . . . . 0.0 112.363 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.474 ' CB ' HD22 ' A' ' 46' ' ' LEU . 14.0 mmmt -115.62 133.29 56.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.934 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.636 HD11 ' O ' ' A' ' 38' ' ' GLY . 5.9 tp -96.03 131.92 41.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 93.3 mt -88.57 162.09 16.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.446 ' CG ' HG23 ' A' ' 66' ' ' THR . 23.8 m170 -62.96 -6.98 4.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 27.9 p -89.36 -46.99 8.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.636 ' O ' HD11 ' A' ' 34' ' ' LEU . . . 142.59 -29.14 2.15 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.487 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.405 ' O ' HD12 ' A' ' 34' ' ' LEU . 31.0 m170 -67.58 145.8 54.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.888 0.375 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.454 ' OG1' HD13 ' A' ' 34' ' ' LEU . 67.2 m -108.11 127.78 54.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.485 HG22 ' HB2' ' A' ' 45' ' ' CYS . 26.6 mt -133.57 149.38 30.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.473 ' SG ' ' HB3' ' A' ' 44' ' ' GLN . 15.6 p -71.76 149.89 44.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.43 ' HG3' ' N ' ' A' ' 44' ' ' GLN . 4.7 ppt_? -51.97 -36.87 51.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.473 ' HB3' ' SG ' ' A' ' 42' ' ' CYS . 6.6 tt0 -54.02 -47.69 71.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.543 ' HB3' HD12 ' A' ' 20' ' ' ILE . 84.3 m -80.09 -37.72 33.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.743 HD21 HD21 ' A' ' 74' ' ' LEU . 11.4 tp -62.65 -33.68 75.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.946 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.971 ' OE2' HD11 ' A' ' 71' ' ' LEU . 5.9 mm-40 -69.02 -53.19 21.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.31 -32.24 47.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.941 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 89.4 mt -80.61 -42.46 22.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.915 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.439 ' HA ' HG22 ' A' ' 57' ' ' VAL . 1.9 tt -62.52 -40.11 95.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.937 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.0 -51.21 62.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.176 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.9 t -54.63 -59.44 4.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.816 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 m -62.96 173.6 1.33 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 16.4 tt -132.81 -32.29 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.12 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.5 ' O ' ' CG2' ' A' ' 65' ' ' ILE . 74.3 m-20 -106.71 42.31 1.31 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 118.45 -167.38 12.99 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.503 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.439 HG22 ' HA ' ' A' ' 50' ' ' LEU . 46.2 t -113.58 113.81 45.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.858 0.361 . . . . 0.0 111.151 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 27.6 ttm180 -78.84 113.21 16.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.408 ' O ' ' HA ' ' A' ' 63' ' ' SER . 30.2 t -74.6 122.6 87.87 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.643 0.735 . . . . 0.0 110.894 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 2.22 3.7 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.703 2.269 . . . . 0.0 112.365 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.501 ' CZ ' ' HB2' ' A' ' 19' ' ' PRO . 26.9 m-85 -104.37 -56.33 2.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.841 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 22.1 p -105.98 -26.62 11.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.886 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.408 ' HA ' ' O ' ' A' ' 59' ' ' CYS . 6.3 t 72.57 44.67 0.38 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.882 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 65' ' ' ILE . 50.3 mttt -106.83 90.87 3.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.868 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.5 ' CG2' ' O ' ' A' ' 55' ' ' ASN . 44.5 mm -36.7 121.94 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.13 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.446 HG23 ' CG ' ' A' ' 36' ' ' HIS . 1.5 m -98.16 83.01 3.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.146 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -59.88 83.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.584 HD13 ' HB3' ' A' ' 74' ' ' LEU . 0.8 OUTLIER -130.51 -40.15 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.157 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 54.27 32.5 16.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.155 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.505 ' HB3' ' CG ' ' A' ' 73' ' ' GLN . 0.5 OUTLIER -172.84 125.74 0.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.84 -179.848 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.971 HD11 ' OE2' ' A' ' 47' ' ' GLU . 43.1 mt -52.23 -36.84 53.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.942 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 10.0 t -78.64 -39.01 38.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.136 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.505 ' CG ' ' HB3' ' A' ' 70' ' ' SER . 5.2 mm100 -42.61 -63.44 0.78 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.743 HD21 HD21 ' A' ' 46' ' ' LEU . 0.8 OUTLIER -50.99 179.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.953 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.446 ' O ' ' N ' ' A' ' 34' ' ' LEU . 23.1 m -83.84 133.93 34.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.164 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -81.93 151.04 27.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.906 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.515 ' OD1' HG13 ' A' ' 80' ' ' VAL . 24.9 t-20 -117.57 67.28 0.74 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.762 ' H ' HD13 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -79.34 11.85 2.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.507 HG22 ' ND2' ' A' ' 77' ' ' ASN . 13.0 t -79.11 -29.75 43.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.174 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.559 HG21 ' CD2' ' A' ' 25' ' ' PHE . 17.3 m -73.33 -25.55 21.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.126 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.405 ' O ' ' C ' ' A' ' 82' ' ' LYS . 20.2 mt -88.69 -30.3 19.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.906 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 81' ' ' LEU . 3.0 tppp? -37.87 -57.72 0.99 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 17.9 t -175.17 154.94 1.85 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.854 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -93.52 -117.48 2.69 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.497 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 179.72 3.52 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.674 2.249 . . . . 0.0 112.324 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 98.8 p 43.8 41.23 3.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 93.8 p -86.85 -51.92 5.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.864 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 CA-C-O 119.085 -0.842 . . . . 0.0 112.462 179.962 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.6 t -128.39 107.55 9.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.906 0.384 . . . . 0.0 110.852 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.6 m -139.55 133.31 30.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.887 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.21 147.61 6.39 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.469 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.7 p -99.68 110.98 23.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.864 0.364 . . . . 0.0 110.862 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.7 t -105.22 158.38 16.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.834 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.99 132.5 1.46 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.476 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -110.4 90.83 3.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.861 0.363 . . . . 0.0 110.887 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.5 tp -138.83 158.23 44.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -141.01 119.15 11.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -87.73 15.27 7.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.113 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.9 mp -92.44 154.04 18.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.402 ' HB2' ' NH1' ' A' ' 13' ' ' ARG . 0.9 OUTLIER -106.1 39.14 1.86 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -126.26 161.0 28.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 31.6 m -102.51 36.0 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.118 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 24.1 mt -43.87 -23.75 0.1 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -108.81 159.44 16.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.479 ' O ' ' HA ' ' A' ' 22' ' ' MET . 54.0 t -72.71 135.03 81.21 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.606 0.717 . . . . 0.0 110.875 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.433 ' C ' ' HE2' ' A' ' 22' ' ' MET . 54.0 Cg_endo -69.7 1.06 4.73 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.712 2.274 . . . . 0.0 112.357 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.409 HD12 ' HB3' ' A' ' 45' ' ' CYS . 36.7 mt -112.48 -74.75 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.157 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 7.0 p -74.32 -23.84 59.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.479 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 6.0 mmt 67.81 49.28 0.95 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.453 ' HB3' HD13 ' A' ' 30' ' ' LEU . 9.7 mm-40 -123.07 140.88 52.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.894 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -51.9 137.06 27.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.6 ' CD2' HG11 ' A' ' 80' ' ' VAL . 22.4 m-85 -76.55 102.46 6.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -117.67 142.6 47.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.114 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.412 ' CD ' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -83.62 34.73 0.49 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -122.77 -45.38 2.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.882 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -128.09 -46.91 1.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.453 HD13 ' HB3' ' A' ' 23' ' ' GLU . 5.4 mt -113.65 89.76 3.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.885 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 23.5 mtp85 -82.21 130.02 61.45 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.575 0.702 . . . . 0.0 110.895 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.614 ' HB3' HG21 ' A' ' 80' ' ' VAL . 53.7 Cg_endo -69.72 129.36 17.5 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.679 2.253 . . . . 0.0 112.341 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.502 ' HE3' HD11 ' A' ' 74' ' ' LEU . 17.6 mmmt -130.93 133.32 45.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.847 HD11 ' O ' ' A' ' 38' ' ' GLY . 6.8 tp -100.72 129.89 46.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.865 HD21 HD11 ' A' ' 46' ' ' LEU . 91.1 mt -85.3 162.48 19.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.632 ' CD2' HG23 ' A' ' 66' ' ' THR . 16.3 m170 -58.62 -10.26 2.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.848 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.445 ' CB ' ' SG ' ' A' ' 62' ' ' CYS . 27.6 p -88.62 -47.1 8.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.902 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.847 ' O ' HD11 ' A' ' 34' ' ' LEU . . . 140.88 -28.11 2.41 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.526 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.458 ' CE1' ' HB3' ' A' ' 61' ' ' PHE . 28.6 m170 -63.02 143.08 58.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.92 0.39 . . . . 0.0 110.829 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.507 ' OG1' HD13 ' A' ' 34' ' ' LEU . 89.3 m -106.28 123.4 47.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.151 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.583 HG22 ' HB2' ' A' ' 45' ' ' CYS . 8.1 mt -131.82 146.82 32.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.127 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.443 ' SG ' ' HB3' ' A' ' 44' ' ' GLN . 17.0 p -71.07 137.4 48.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.891 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.405 ' HD2' ' C ' ' A' ' 43' ' ' ARG . 0.7 OUTLIER -42.75 -32.99 0.66 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.93 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.443 ' HB3' ' SG ' ' A' ' 42' ' ' CYS . 4.5 tt0 -58.43 -47.22 84.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.583 ' HB2' HG22 ' A' ' 41' ' ' ILE . 55.4 m -75.9 -38.4 57.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.842 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.865 HD11 HD21 ' A' ' 35' ' ' LEU . 5.5 tp -63.86 -40.64 97.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.423 ' CD ' HD11 ' A' ' 71' ' ' LEU . 4.3 mm-40 -56.79 -49.7 74.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.404 ' HD3' ' O ' ' A' ' 44' ' ' GLN . 1.1 mptm? -52.33 -36.82 54.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.401 ' CB ' HG13 ' A' ' 57' ' ' VAL . 80.2 mt -76.87 -51.91 10.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.457 ' HA ' HG22 ' A' ' 57' ' ' VAL . 4.0 tt -52.68 -40.36 62.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.8 -66.44 0.38 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.087 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.8 m -53.62 -66.53 0.38 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 17.2 m -54.55 162.34 1.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.822 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.425 HG23 ' N ' ' A' ' 55' ' ' ASN . 13.3 tt -129.06 -41.37 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.138 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.471 ' O ' ' CG2' ' A' ' 65' ' ' ILE . 62.8 m-20 -90.72 40.67 1.03 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 120.79 -167.88 13.96 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.472 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.457 HG22 ' HA ' ' A' ' 50' ' ' LEU . 60.0 t -120.44 112.84 38.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.836 0.351 . . . . 0.0 111.143 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -72.72 119.86 17.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.412 ' O ' ' HA ' ' A' ' 63' ' ' SER . 49.5 t -79.54 125.94 81.76 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.627 0.727 . . . . 0.0 110.906 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 2.76 3.25 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.664 2.243 . . . . 0.0 112.376 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.458 ' HB3' ' CE1' ' A' ' 39' ' ' HIS . 27.9 m-85 -106.45 -62.52 1.38 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.445 ' SG ' ' CB ' ' A' ' 37' ' ' CYS . 25.5 p -104.24 -21.44 13.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.412 ' HA ' ' O ' ' A' ' 59' ' ' CYS . 19.4 m 67.49 49.53 1.0 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.477 ' O ' ' C ' ' A' ' 65' ' ' ILE . 61.1 mttt -105.37 87.54 2.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.852 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.477 ' C ' ' O ' ' A' ' 64' ' ' LYS . 48.7 mm -31.81 120.15 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.125 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.632 HG23 ' CD2' ' A' ' 36' ' ' HIS . 4.3 m -98.77 88.42 4.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.447 ' O ' HG23 ' A' ' 68' ' ' ILE . 2.7 mpt_? -57.32 92.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.865 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.983 HD13 ' HB3' ' A' ' 74' ' ' LEU . 3.0 pt -156.07 108.49 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.152 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.607 HG22 ' OE1' ' A' ' 73' ' ' GLN . 9.4 t -67.54 -25.92 66.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.104 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.2 t -113.83 163.08 15.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.482 ' CD2' HD23 ' A' ' 46' ' ' LEU . 47.1 mt -76.74 -26.87 55.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.952 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 8.8 t -84.58 -21.56 30.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.127 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.607 ' OE1' HG22 ' A' ' 69' ' ' THR . 7.3 mt-30 -53.77 -50.49 65.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.983 ' HB3' HD13 ' A' ' 68' ' ' ILE . 0.6 OUTLIER -56.76 -174.86 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.408 ' O ' ' N ' ' A' ' 34' ' ' LEU . 91.1 m -83.72 124.81 31.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.157 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -72.87 152.91 41.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.877 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.75 ' OD1' HD22 ' A' ' 34' ' ' LEU . 6.3 t30 -130.47 64.47 1.55 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.758 ' H ' HD13 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -75.04 -9.95 59.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.93 179.923 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.544 ' N ' HD22 ' A' ' 78' ' ' LEU . 10.0 t -51.09 -45.78 61.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.183 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.614 HG21 ' HB3' ' A' ' 32' ' ' PRO . 19.0 m -61.19 -33.32 55.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.661 HD12 ' HA ' ' A' ' 78' ' ' LEU . 7.6 mt -73.27 -37.04 66.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 15.3 tptp -64.3 138.15 58.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.8 m -115.17 135.06 54.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 152.48 146.84 4.45 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.482 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 -47.52 0.93 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.709 2.273 . . . . 0.0 112.388 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 7.2 t -113.17 98.04 6.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 31.3 t -70.27 125.18 26.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 CA-C-O 119.123 -0.821 . . . . 0.0 112.461 179.997 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 m -138.42 161.06 37.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.88 0.371 . . . . 0.0 110.867 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 t -154.52 156.75 37.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.69 115.19 0.32 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.513 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.1 p -121.75 164.14 17.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.835 0.35 . . . . 0.0 110.894 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.2 t -64.85 96.1 0.17 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.02 73.67 0.21 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.487 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -167.28 111.71 0.71 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.835 0.35 . . . . 0.0 110.871 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.467 ' HG ' ' N ' ' A' ' 10' ' ' ASP . 6.8 tp -49.7 150.18 2.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.467 ' N ' ' HG ' ' A' ' 9' ' ' LEU . 2.0 m-20 -110.71 102.84 11.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 179.82 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -118.7 -31.44 4.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.082 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -54.75 150.1 10.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.9 ptm180 -101.44 -22.01 14.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -69.17 163.12 25.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' A' ' 17' ' ' GLU . 34.6 m -100.34 35.11 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.163 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.6 mt -40.32 -26.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.919 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 15' ' ' VAL . 10.8 mt-10 -105.77 147.28 28.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.444 ' O ' ' HA ' ' A' ' 22' ' ' MET . 51.7 t -67.82 135.82 92.29 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.621 0.724 . . . . 0.0 110.867 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.542 ' HA ' ' HE1' ' A' ' 22' ' ' MET . 53.9 Cg_endo -69.77 1.3 4.56 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.672 2.248 . . . . 0.0 112.321 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 37.4 mt -114.94 -74.81 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.171 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.413 ' SG ' ' HB3' ' A' ' 18' ' ' CYS . 14.6 p -73.97 -25.32 59.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.902 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.542 ' HE1' ' HA ' ' A' ' 19' ' ' PRO . 12.6 mmt 64.17 46.73 3.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.402 ' CB ' HD13 ' A' ' 30' ' ' LEU . 24.6 mt-10 -119.21 123.08 43.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.904 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 19.8 m -43.35 109.58 0.15 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.5 ' CD2' HG21 ' A' ' 80' ' ' VAL . 35.1 m-85 -44.77 118.77 1.71 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.879 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.428 ' O ' HD21 ' A' ' 81' ' ' LEU . 1.3 p -94.33 -174.63 3.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.118 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -78.65 -36.8 43.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.463 ' O ' ' C ' ' A' ' 29' ' ' GLN . 6.3 mp0 -130.94 -61.13 0.95 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.463 ' C ' ' O ' ' A' ' 28' ' ' GLU . 29.0 tp60 -32.01 -61.03 0.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.944 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.605 HD21 ' NE2' ' A' ' 44' ' ' GLN . 9.7 mt -129.65 80.62 1.97 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.8 mmt180 -72.63 131.62 84.24 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.629 0.728 . . . . 0.0 110.885 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.61 ' HB3' HG21 ' A' ' 80' ' ' VAL . 53.4 Cg_endo -69.74 138.46 37.93 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.756 2.304 . . . . 0.0 112.322 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.572 ' HE3' HD11 ' A' ' 74' ' ' LEU . 20.2 mmmt -134.52 134.88 41.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.884 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.725 HD11 ' O ' ' A' ' 38' ' ' GLY . 7.4 tp -105.1 126.18 51.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.936 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.683 HD21 ' CD1' ' A' ' 46' ' ' LEU . 93.5 mt -82.81 162.53 21.64 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.559 ' CD2' HG23 ' A' ' 66' ' ' THR . 14.9 m170 -61.25 -7.62 3.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.463 ' CB ' ' SG ' ' A' ' 62' ' ' CYS . 30.2 p -89.66 -46.63 8.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.725 ' O ' HD11 ' A' ' 34' ' ' LEU . . . 142.52 -30.98 2.06 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.491 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.482 ' O ' HD12 ' A' ' 34' ' ' LEU . 28.1 m170 -61.85 145.83 51.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.892 0.377 . . . . 0.0 110.882 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.536 ' OG1' HD13 ' A' ' 34' ' ' LEU . 86.1 m -109.61 122.71 48.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.136 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.532 HG22 ' HB2' ' A' ' 45' ' ' CYS . 13.8 mt -131.91 147.18 32.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.16 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.448 ' SG ' ' HB3' ' A' ' 44' ' ' GLN . 19.5 p -71.77 143.17 49.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.921 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 5.2 ppt_? -46.12 -35.62 5.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.605 ' NE2' HD21 ' A' ' 30' ' ' LEU . 7.4 tt0 -54.62 -52.92 60.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.912 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.532 ' HB2' HG22 ' A' ' 41' ' ' ILE . 68.8 m -70.4 -44.54 67.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.687 HD23 HD22 ' A' ' 71' ' ' LEU . 4.8 tp -58.3 -38.85 77.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.492 ' OE2' HD11 ' A' ' 71' ' ' LEU . 4.2 mm-40 -59.46 -54.14 50.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.16 -38.48 5.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.913 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.651 HD13 ' O ' ' A' ' 58' ' ' ARG . 71.0 mt -78.64 -56.9 4.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.64 ' HA ' HG22 ' A' ' 57' ' ' VAL . 2.6 tt -45.96 -30.34 1.75 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.945 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -75.66 -35.47 60.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.124 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.4 m -115.1 38.71 3.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.883 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.2 t -116.38 -176.14 2.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.46 HG23 ' ND2' ' A' ' 55' ' ' ASN . 14.7 tt -145.23 138.14 21.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.157 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.84 ' OD1' HG21 ' A' ' 65' ' ' ILE . 7.0 p30 45.92 29.39 0.73 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 141.66 -161.35 27.04 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.492 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.64 HG22 ' HA ' ' A' ' 50' ' ' LEU . 83.4 t -123.82 103.71 13.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.887 0.375 . . . . 0.0 111.15 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.651 ' O ' HD13 ' A' ' 49' ' ' LEU . 23.2 ttt180 -61.75 135.55 57.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.865 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.453 ' O ' ' HA ' ' A' ' 63' ' ' SER . 49.7 t -89.25 130.91 42.33 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.689 0.756 . . . . 0.0 110.868 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 3.6 2.68 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.683 2.255 . . . . 0.0 112.338 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.447 ' CZ ' ' HB2' ' A' ' 19' ' ' PRO . 35.6 m-85 -115.23 -67.39 1.0 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.463 ' SG ' ' CB ' ' A' ' 37' ' ' CYS . 27.3 p -96.44 -15.38 21.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.453 ' HA ' ' O ' ' A' ' 59' ' ' CYS . 18.1 p 59.25 43.93 16.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.895 -179.789 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.5 ' O ' ' C ' ' A' ' 65' ' ' ILE . 8.1 mtpm? -97.49 86.77 3.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.84 HG21 ' OD1' ' A' ' 55' ' ' ASN . 42.8 mm -29.97 120.38 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.137 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.559 HG23 ' CD2' ' A' ' 36' ' ' HIS . 2.2 m -98.0 85.71 3.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.101 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.17 91.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.483 HD13 ' CG ' ' A' ' 74' ' ' LEU . 1.4 pt -154.65 111.83 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.116 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.6 t -68.04 -29.26 68.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.155 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -115.05 158.52 21.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.855 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.687 HD22 HD23 ' A' ' 46' ' ' LEU . 86.5 mt -68.33 -32.3 72.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.926 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 14.7 t -78.62 -28.23 45.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.188 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.418 ' HB3' HG22 ' A' ' 68' ' ' ILE . 6.9 mm100 -45.15 -56.06 5.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.941 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.572 HD11 ' HE3' ' A' ' 33' ' ' LYS . 1.0 OUTLIER -55.22 -174.25 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.43 ' O ' ' N ' ' A' ' 34' ' ' LEU . 94.5 m -82.84 125.3 31.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -76.88 152.09 35.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.408 ' OD1' HG22 ' A' ' 80' ' ' VAL . 25.3 t-20 -122.86 66.8 0.96 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.873 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.676 ' H ' HD13 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -80.97 14.27 2.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.944 179.92 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.9 t -82.42 -27.94 31.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.61 HG21 ' HB3' ' A' ' 32' ' ' PRO . 16.0 m -76.77 -30.35 18.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.088 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.428 HD21 ' O ' ' A' ' 26' ' ' THR . 95.7 mt -71.75 -40.1 69.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.933 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 14.1 mmtp -81.32 149.12 29.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 58.3 m -91.12 40.47 1.03 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.845 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 145.53 163.79 10.4 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.471 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 145.12 56.11 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.71 2.274 . . . . 0.0 112.358 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 13.5 t -51.99 160.0 0.79 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.911 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 27.6 p -130.67 -31.52 1.77 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 CA-C-O 119.135 -0.814 . . . . 0.0 112.474 179.992 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.7 p -154.83 172.47 17.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.918 0.39 . . . . 0.0 110.84 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.9 p -140.98 148.34 40.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.873 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.2 178.0 27.76 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.498 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 t -172.77 111.05 0.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.9 0.381 . . . . 0.0 110.86 -179.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.2 m -64.08 90.01 0.06 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.853 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.75 84.1 0.14 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.508 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -157.36 131.88 8.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.871 0.367 . . . . 0.0 110.899 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.777 HD23 ' N ' ' A' ' 10' ' ' ASP . 9.6 tt -171.62 161.07 6.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.948 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.777 ' N ' HD23 ' A' ' 9' ' ' LEU . 13.3 t0 -148.6 124.71 10.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.88 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -97.29 -31.61 12.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.075 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -65.29 174.73 1.96 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.897 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.9 ptp85 -89.67 -27.03 20.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -63.99 156.12 28.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.2 m -99.3 43.27 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.163 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 14.5 mt -50.83 -26.85 6.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -109.05 149.14 29.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.461 ' SG ' HG23 ' A' ' 41' ' ' ILE . 52.9 t -62.35 135.22 95.14 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.599 0.714 . . . . 0.0 110.868 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.472 ' HG2' ' CE2' ' A' ' 61' ' ' PHE . 53.8 Cg_endo -69.77 -0.75 7.38 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.703 2.268 . . . . 0.0 112.366 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.477 HD11 HD13 ' A' ' 41' ' ' ILE . 54.4 mt -112.26 -74.51 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.403 ' SG ' ' HB3' ' A' ' 18' ' ' CYS . 13.0 p -74.59 -29.22 61.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.442 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 17.0 mmt 67.51 47.08 1.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 24' ' ' SER . 16.9 mt-10 -119.9 122.0 40.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.93 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 23' ' ' GLU . 6.2 m -34.67 133.3 0.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.786 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.508 ' CG ' ' HB3' ' A' ' 32' ' ' PRO . 35.5 m-85 -72.85 106.64 4.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.903 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.0 t -112.71 141.92 45.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.154 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.724 ' CD ' HD13 ' A' ' 81' ' ' LEU . 8.2 mt-10 -84.95 42.14 0.91 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -131.92 -43.26 0.99 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -130.83 -54.19 1.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.415 HD11 ' OE1' ' A' ' 23' ' ' GLU . 14.2 mt -99.66 97.3 8.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.1 mmm180 -92.31 130.39 37.8 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.596 0.713 . . . . 0.0 110.835 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.646 ' HB3' HG21 ' A' ' 80' ' ' VAL . 53.4 Cg_endo -69.79 125.36 12.05 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.723 2.282 . . . . 0.0 112.318 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.585 ' HE3' HD11 ' A' ' 74' ' ' LEU . 19.6 mmmt -124.8 135.84 53.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.923 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.739 HD11 ' O ' ' A' ' 38' ' ' GLY . 6.1 tp -101.23 135.6 42.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.603 HD21 ' CD1' ' A' ' 46' ' ' LEU . 71.5 mt -91.47 162.55 14.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.502 ' CE1' ' O ' ' A' ' 66' ' ' THR . 32.0 m170 -60.88 -9.49 4.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.829 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 28.1 p -89.86 -44.06 10.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.739 ' O ' HD11 ' A' ' 34' ' ' LEU . . . 139.2 -30.51 2.43 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.518 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.428 ' O ' HD12 ' A' ' 34' ' ' LEU . 26.5 m170 -61.15 142.85 56.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.852 0.358 . . . . 0.0 110.832 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.499 HG21 ' OD1' ' A' ' 77' ' ' ASN . 86.1 m -106.58 129.77 54.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.12 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.61 HD11 ' CE2' ' A' ' 61' ' ' PHE . 13.3 mt -139.1 150.15 23.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.158 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.427 ' SG ' ' HB3' ' A' ' 44' ' ' GLN . 17.0 p -73.49 144.05 46.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.403 ' HG3' ' N ' ' A' ' 44' ' ' GLN . 2.0 ppt_? -46.99 -37.84 9.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.841 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.427 ' HB3' ' SG ' ' A' ' 42' ' ' CYS . 5.2 tt0 -52.15 -53.75 39.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.468 ' HB2' ' CG2' ' A' ' 41' ' ' ILE . 74.0 m -70.55 -40.6 73.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.774 HD23 HD22 ' A' ' 71' ' ' LEU . 5.9 tp -62.78 -30.15 71.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.531 ' CD ' HD11 ' A' ' 71' ' ' LEU . 4.8 mm-40 -69.37 -50.57 44.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.16 -31.38 42.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 81.5 mt -80.04 -46.78 15.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.93 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.8 tt -60.82 -41.02 94.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.943 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.0 -62.21 1.86 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.146 179.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.8 t -59.6 -37.37 78.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.828 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 24.6 p -58.01 -174.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.859 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.596 HG23 ' N ' ' A' ' 55' ' ' ASN . 1.4 tp -115.52 -53.69 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.113 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.596 ' N ' HG23 ' A' ' 54' ' ' ILE . 0.6 OUTLIER -134.81 -37.03 0.83 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.818 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.556 ' N ' ' ND2' ' A' ' 55' ' ' ASN . . . -114.77 154.86 16.72 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.507 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 54.2 t -96.71 120.61 46.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.821 0.344 . . . . 0.0 111.184 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 56.3 ttm-85 -83.27 115.14 21.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.48 ' SG ' HD12 ' A' ' 35' ' ' LEU . 14.3 t -74.77 119.41 76.62 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.627 0.727 . . . . 0.0 110.891 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 4.14 2.39 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.722 2.281 . . . . 0.0 112.309 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.61 ' CE2' HD11 ' A' ' 41' ' ' ILE . 25.4 m-85 -103.42 -53.56 2.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.848 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 20.5 p -108.55 -15.28 14.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 59' ' ' CYS . 4.5 p 67.4 35.84 4.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.824 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.3 mtpt -107.98 125.04 51.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.856 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.428 ' CG2' ' HA3' ' A' ' 56' ' ' GLY . 29.7 mm -69.47 125.73 28.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.129 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.502 ' O ' ' CE1' ' A' ' 36' ' ' HIS . 4.8 m -73.26 -32.87 64.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 8.2 mmm180 64.44 54.96 1.43 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.839 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.559 ' CD1' HD23 ' A' ' 74' ' ' LEU . 0.9 OUTLIER -127.53 134.16 66.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.158 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 8.8 t -98.88 26.54 5.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.161 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.558 ' OG ' HG22 ' A' ' 72' ' ' THR . 10.6 t -172.63 149.97 2.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.774 HD22 HD23 ' A' ' 46' ' ' LEU . 73.6 mt -64.12 -34.62 78.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.927 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.558 HG22 ' OG ' ' A' ' 70' ' ' SER . 10.0 t -80.78 -20.34 42.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.419 ' CD ' HG22 ' A' ' 68' ' ' ILE . 0.0 OUTLIER -55.91 -62.92 1.37 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.666 HD21 HD21 ' A' ' 46' ' ' LEU . 1.3 pp -50.24 -176.55 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 34.3 m -84.25 135.46 34.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.161 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -79.05 160.42 27.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.847 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.525 ' O ' HG22 ' A' ' 80' ' ' VAL . 28.8 t-20 -128.68 65.58 1.42 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.7 ' H ' HD13 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -80.91 9.57 6.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.2 t -79.13 -18.99 52.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.646 HG21 ' HB3' ' A' ' 32' ' ' PRO . 11.7 m -82.27 -21.03 9.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.724 HD13 ' CD ' ' A' ' 27' ' ' GLU . 28.5 mt -83.55 -37.52 22.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.948 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -55.24 135.15 49.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.863 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 44.4 t -40.68 -49.53 3.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 85.35 125.05 1.45 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.47 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 142.29 47.38 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.706 2.27 . . . . 0.0 112.349 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 64.6 p -128.87 42.19 3.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 79.6 p -108.05 42.57 1.34 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.822 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 CA-C-O 119.116 -0.824 . . . . 0.0 112.442 179.962 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.9 p -173.04 175.97 3.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.861 0.362 . . . . 0.0 110.883 -179.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -170.89 160.38 6.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.846 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.45 -133.14 1.44 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.511 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.2 t 39.63 42.17 0.89 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.956 0.408 . . . . 0.0 110.89 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.0 t -49.53 105.36 0.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.877 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.79 111.93 2.75 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.504 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -98.05 113.57 25.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.906 0.384 . . . . 0.0 110.891 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -164.91 149.01 8.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -155.09 126.82 7.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.84 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.27 -60.01 2.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.14 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -57.66 174.5 0.23 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.6 ptp180 -117.6 39.98 3.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.831 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -125.08 170.55 11.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.901 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.468 ' O ' ' N ' ' A' ' 17' ' ' GLU . 33.9 m -101.67 31.83 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 39.2 mt -40.5 -24.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 15' ' ' VAL . 3.6 mt-10 -108.29 161.72 14.75 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.451 ' O ' ' HA ' ' A' ' 22' ' ' MET . 53.3 t -78.4 135.61 61.09 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.594 0.711 . . . . 0.0 110.908 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.575 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 53.9 Cg_endo -69.72 -0.71 7.27 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.73 2.287 . . . . 0.0 112.371 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.517 HD12 ' HB3' ' A' ' 45' ' ' CYS . 28.9 mt -110.73 -74.56 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.133 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.7 p -75.29 -31.06 60.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.451 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 33.8 mmm 74.94 46.16 0.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.477 ' HB3' HD13 ' A' ' 30' ' ' LEU . 25.0 mm-40 -118.89 131.95 56.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.928 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.2 t -50.2 129.52 21.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.845 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.526 ' CD2' HG11 ' A' ' 80' ' ' VAL . 26.4 m-85 -66.21 111.41 3.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.4 p -98.89 147.87 24.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -63.9 -29.62 70.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.859 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -81.43 -69.73 0.59 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.431 ' O ' ' C ' ' A' ' 30' ' ' LEU . 3.4 tt0 -105.23 -175.37 2.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.477 HD13 ' HB3' ' A' ' 23' ' ' GLU . 23.3 mt 35.02 39.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.959 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.72 134.54 27.16 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.594 0.712 . . . . 0.0 110.892 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.892 ' HB3' HG21 ' A' ' 80' ' ' VAL . 53.6 Cg_endo -69.77 133.16 24.89 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.694 2.263 . . . . 0.0 112.36 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.408 ' HE3' HD11 ' A' ' 74' ' ' LEU . 16.1 mmmt -135.2 135.69 41.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.861 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.615 HD11 ' O ' ' A' ' 38' ' ' GLY . 5.5 tp -105.42 135.46 46.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.941 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.616 HD21 ' CD1' ' A' ' 46' ' ' LEU . 71.7 mt -94.46 162.48 13.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.746 ' CD2' HG23 ' A' ' 66' ' ' THR . 25.0 m170 -60.8 -8.42 3.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.504 ' CB ' ' SG ' ' A' ' 62' ' ' CYS . 29.8 p -89.61 -46.55 8.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.903 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.615 ' O ' HD11 ' A' ' 34' ' ' LEU . . . 141.17 -30.49 2.24 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.519 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.433 ' O ' HD12 ' A' ' 34' ' ' LEU . 29.3 m170 -62.92 147.02 51.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.869 0.366 . . . . 0.0 110.819 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.482 ' OG1' HD13 ' A' ' 34' ' ' LEU . 24.2 m -113.65 117.63 32.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.201 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.509 ' CG2' ' HB2' ' A' ' 45' ' ' CYS . 44.9 mt -121.44 151.05 24.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.153 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.452 ' SG ' ' HB3' ' A' ' 44' ' ' GLN . 19.3 p -72.6 138.93 47.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.542 ' HG3' ' N ' ' A' ' 44' ' ' GLN . 3.7 ptt180 -44.69 -31.68 1.26 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.542 ' N ' ' HG3' ' A' ' 43' ' ' ARG . 6.6 tt0 -59.06 -52.95 63.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.517 ' HB3' HD12 ' A' ' 20' ' ' ILE . 69.4 m -70.6 -37.87 73.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.633 HD23 HD22 ' A' ' 71' ' ' LEU . 5.6 tp -63.01 -43.27 99.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -56.36 -49.24 74.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.415 ' HD3' ' O ' ' A' ' 44' ' ' GLN . 2.5 mptp? -55.74 -29.59 59.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 77.6 mt -80.64 -51.18 9.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.7 tt -59.44 -40.16 85.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -42.08 -61.6 1.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.0 t -69.47 -57.21 5.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 58.5 m -53.25 154.2 3.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.824 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 15.8 tt -133.57 -35.49 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.105 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 71.8 m-80 -100.95 43.88 1.04 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.937 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.466 ' HA3' ' CG2' ' A' ' 65' ' ' ILE . . . 109.85 153.04 14.25 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.481 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 84.7 t -91.32 114.43 28.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.777 0.322 . . . . 0.0 111.113 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 35.9 ttt180 -78.68 113.54 16.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.459 ' O ' ' HA ' ' A' ' 63' ' ' SER . 43.7 t -66.07 126.26 91.58 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.636 0.731 . . . . 0.0 110.875 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 4.01 2.46 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.725 2.283 . . . . 0.0 112.354 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.575 ' CZ ' ' HB2' ' A' ' 19' ' ' PRO . 38.6 m-85 -107.93 -60.28 1.73 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.504 ' SG ' ' CB ' ' A' ' 37' ' ' CYS . 22.2 p -104.04 -16.35 15.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.459 ' HA ' ' O ' ' A' ' 59' ' ' CYS . 19.0 m 58.65 51.6 7.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.867 -179.799 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.453 ' O ' ' C ' ' A' ' 65' ' ' ILE . 91.7 mttt -113.55 90.1 3.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.466 ' CG2' ' HA3' ' A' ' 56' ' ' GLY . 45.3 mm -33.25 124.73 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.746 HG23 ' CD2' ' A' ' 36' ' ' HIS . 11.7 m -83.56 -29.12 28.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.128 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.5 mmt180 63.93 55.03 1.64 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.778 HD13 ' HB3' ' A' ' 74' ' ' LEU . 2.5 pt -129.57 113.21 26.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.155 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.444 HG23 ' H ' ' A' ' 69' ' ' THR . 1.2 p -61.25 -41.37 96.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.139 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.8 p -110.31 -179.56 3.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.839 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.633 HD22 HD23 ' A' ' 46' ' ' LEU . 27.4 mt -85.29 -45.94 11.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.913 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 10.6 t -62.09 -10.31 9.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.128 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.455 ' HB3' HG22 ' A' ' 68' ' ' ILE . 2.2 mt-30 -69.25 -65.42 0.71 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.778 ' HB3' HD13 ' A' ' 68' ' ' ILE . 0.6 OUTLIER -46.2 173.07 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.405 ' O ' ' O ' ' A' ' 34' ' ' LEU . 93.2 m -69.26 130.26 42.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.154 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -81.48 146.75 30.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.607 ' OD1' HG13 ' A' ' 80' ' ' VAL . 22.9 t-20 -115.37 68.47 0.71 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.941 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.694 ' H ' HD13 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -81.28 14.44 2.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 14.2 t -88.19 -18.1 29.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.15 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.892 HG21 ' HB3' ' A' ' 32' ' ' PRO . 9.8 m -84.19 -19.19 9.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.17 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 92.8 mt -91.68 -33.39 15.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.942 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.94 162.3 18.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 9.0 t -121.78 104.03 9.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.447 ' C ' ' H ' ' A' ' 86' ' ' SER . . . -64.47 143.47 47.11 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.511 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.524 ' O ' ' C ' ' A' ' 86' ' ' SER . 52.9 Cg_endo -69.8 14.24 0.27 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.66 2.24 . . . . 0.0 112.313 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.524 ' C ' ' O ' ' A' ' 85' ' ' PRO . 16.3 m -28.24 -44.6 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 85' ' ' PRO . 3.6 m -145.15 114.53 7.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.865 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 CA-C-O 119.139 -0.811 . . . . 0.0 112.516 -179.975 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.1 t -170.23 162.3 8.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.918 0.389 . . . . 0.0 110.844 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.2 t -129.14 -50.15 1.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.849 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.32 -178.22 22.55 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.537 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.8 p -153.62 133.32 13.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.894 0.378 . . . . 0.0 110.798 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.9 p -167.54 138.45 2.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.86 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.67 -162.18 0.13 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.47 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -160.81 157.49 26.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.856 0.36 . . . . 0.0 110.912 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -170.8 146.72 2.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -156.81 119.59 4.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.852 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.65 -47.75 11.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.08 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.418 HD22 ' OE2' ' A' ' 14' ' ' GLU . 1.2 mt -40.37 161.43 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.3 ptp85 -110.66 -17.96 13.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.418 ' OE2' HD22 ' A' ' 12' ' ' LEU . 18.0 pt-20 -60.68 160.89 8.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.629 ' O ' HG23 ' A' ' 15' ' ' VAL . 15.4 m -123.74 49.94 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.133 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 62.9 mt -49.17 -20.67 0.63 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -118.56 138.33 52.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.443 ' O ' ' HA ' ' A' ' 22' ' ' MET . 53.6 t -51.46 134.25 33.81 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.639 0.733 . . . . 0.0 110.862 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.418 ' CD ' ' O ' ' A' ' 40' ' ' THR . 54.2 Cg_endo -69.77 0.08 6.16 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.706 2.271 . . . . 0.0 112.366 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.542 HD11 HD13 ' A' ' 41' ' ' ILE . 59.4 mt -111.67 -74.79 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.414 ' SG ' ' HB3' ' A' ' 18' ' ' CYS . 9.7 p -73.7 -29.32 62.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.443 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 47.9 mmm 71.71 47.18 0.35 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.414 ' HB3' ' CD1' ' A' ' 30' ' ' LEU . 4.9 mm-40 -119.02 138.74 52.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.899 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 28.6 p -50.0 133.28 22.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.839 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.51 ' CG ' ' HB3' ' A' ' 32' ' ' PRO . 36.9 m-85 -76.07 101.6 5.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.95 136.03 54.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.181 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.773 ' OE2' HD13 ' A' ' 81' ' ' LEU . 23.2 mp0 -76.34 47.15 0.45 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.896 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -133.56 -39.63 0.89 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.861 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -134.36 -41.55 0.8 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.924 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.414 ' CD1' ' HB3' ' A' ' 23' ' ' GLU . 2.5 mt -121.52 111.14 16.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.7 mmt85 -100.91 130.59 24.84 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.562 0.696 . . . . 0.0 110.933 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.559 ' HB3' HG21 ' A' ' 80' ' ' VAL . 53.6 Cg_endo -69.78 127.89 15.21 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.703 2.269 . . . . 0.0 112.302 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.455 ' HE3' HD11 ' A' ' 74' ' ' LEU . 17.8 mmmt -122.55 143.68 49.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.521 HD11 ' O ' ' A' ' 38' ' ' GLY . 4.8 tp -111.44 131.27 55.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.814 HD22 ' OG1' ' A' ' 66' ' ' THR . 88.7 mt -93.64 162.94 13.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.57 ' CD2' HG23 ' A' ' 66' ' ' THR . 15.7 m170 -61.99 -7.95 4.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.41 ' SG ' ' HB2' ' A' ' 35' ' ' LEU . 29.4 p -87.7 -44.72 10.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.521 ' O ' HD11 ' A' ' 34' ' ' LEU . . . 137.35 -29.33 2.71 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.523 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 27.6 m170 -65.5 144.18 57.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.894 0.378 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.471 HG21 ' CG ' ' A' ' 77' ' ' ASN . 30.1 m -108.08 128.14 54.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.146 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.542 HD13 HD11 ' A' ' 20' ' ' ILE . 9.9 mt -135.64 149.73 28.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.169 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.444 ' SG ' ' HB3' ' A' ' 44' ' ' GLN . 17.5 p -72.0 148.12 46.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.918 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.524 ' HG3' ' N ' ' A' ' 44' ' ' GLN . 0.3 OUTLIER -52.33 -31.89 35.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 -179.942 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.524 ' N ' ' HG3' ' A' ' 43' ' ' ARG . 5.1 tt0 -58.77 -45.87 88.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.538 ' HB2' HG22 ' A' ' 41' ' ' ILE . 90.5 m -80.3 -34.01 37.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.712 HD21 HD21 ' A' ' 74' ' ' LEU . 6.5 tp -66.22 -36.4 82.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -62.62 -50.14 72.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.89 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -52.45 -38.05 58.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.869 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 36.9 mt -71.39 -54.64 10.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.6 tt -53.81 -43.38 69.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -43.38 -61.76 1.26 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 26.9 t -61.79 -70.29 0.2 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 23.9 m -49.84 164.08 0.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.817 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.471 HG23 ' N ' ' A' ' 55' ' ' ASN . 12.5 tt -132.87 -43.9 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.108 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.471 ' N ' HG23 ' A' ' 54' ' ' ILE . 28.7 m120 -89.84 44.05 1.18 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.465 ' HA3' ' CG2' ' A' ' 65' ' ' ILE . . . 120.09 -167.03 13.57 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.487 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 98.7 t -124.42 120.16 58.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.852 0.358 . . . . 0.0 111.097 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 39.9 ttp180 -81.43 119.12 23.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.418 ' O ' ' HA ' ' A' ' 63' ' ' SER . 41.2 t -77.21 122.67 86.57 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.611 0.719 . . . . 0.0 110.876 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 3.71 2.61 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.682 2.254 . . . . 0.0 112.341 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -106.62 -57.63 2.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.422 ' O ' ' HB3' ' A' ' 63' ' ' SER . 24.7 p -104.91 -24.74 12.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.422 ' HB3' ' O ' ' A' ' 62' ' ' CYS . 8.2 t 74.86 43.09 0.24 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 34.0 mtpt -111.9 108.72 18.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.898 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.465 ' CG2' ' HA3' ' A' ' 56' ' ' GLY . 35.6 mm -52.6 127.95 10.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.145 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.814 ' OG1' HD22 ' A' ' 35' ' ' LEU . 16.2 m -74.12 -28.22 61.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.179 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.448 ' H ' HG22 ' A' ' 65' ' ' ILE . 0.9 OUTLIER 62.52 54.6 2.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.794 HD13 ' HB3' ' A' ' 74' ' ' LEU . 1.6 pt -132.7 146.21 33.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.123 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.1 p -88.97 -38.92 14.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.101 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.3 t -117.67 168.3 10.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.801 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.688 HD22 HD23 ' A' ' 46' ' ' LEU . 10.3 mt -72.91 -29.77 63.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.906 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 8.1 t -76.47 -25.19 54.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.115 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 11.0 mm100 -57.98 -58.67 7.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.916 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.794 ' HB3' HD13 ' A' ' 68' ' ' ILE . 1.4 pp -52.42 173.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.408 ' O ' ' O ' ' A' ' 34' ' ' LEU . 96.9 m -70.53 131.78 44.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.156 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -84.18 148.06 26.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.471 ' CG ' HG21 ' A' ' 40' ' ' THR . 26.1 t-20 -117.26 70.34 0.78 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.708 ' H ' HD13 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -86.18 16.04 4.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.953 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.443 HG22 ' ND2' ' A' ' 77' ' ' ASN . 14.9 t -81.05 -34.69 32.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.155 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.559 HG21 ' HB3' ' A' ' 32' ' ' PRO . 14.1 m -69.54 -27.62 34.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.124 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.773 HD13 ' OE2' ' A' ' 27' ' ' GLU . 13.3 mt -77.4 -35.66 54.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 38.5 mmtt -72.58 144.78 47.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 31.6 m -104.15 95.3 5.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 74.22 154.78 3.72 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.494 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 126.63 13.51 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.693 2.262 . . . . 0.0 112.306 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 93.0 p -129.76 -44.96 1.18 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 97.2 p -133.46 -44.38 0.83 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.844 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 CA-C-O 119.16 -0.8 . . . . 0.0 112.493 179.996 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.5 m -59.69 -56.44 21.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.884 0.373 . . . . 0.0 110.899 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 m -166.49 166.23 16.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.4 175.04 21.45 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.505 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.4 t -127.35 172.06 10.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.89 0.376 . . . . 0.0 110.861 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.4 p -149.66 172.96 14.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.97 161.0 18.42 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.513 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -157.99 142.81 16.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.866 0.365 . . . . 0.0 110.893 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.6 tp -174.6 128.83 0.33 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.942 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -140.98 118.45 11.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -118.4 -47.57 2.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -78.71 164.59 24.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -101.1 40.32 1.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -120.26 153.65 36.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.41 ' O ' HG23 ' A' ' 15' ' ' VAL . 28.9 m -94.91 42.34 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.114 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.7 mt -50.54 -21.88 1.72 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.968 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -111.14 145.5 38.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.906 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.45 ' O ' ' HA ' ' A' ' 22' ' ' MET . 53.5 t -56.86 135.88 79.24 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.652 0.739 . . . . 0.0 110.873 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.415 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 53.8 Cg_endo -69.73 -0.85 7.48 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.64 2.227 . . . . 0.0 112.34 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.534 HD11 HD13 ' A' ' 41' ' ' ILE . 60.0 mt -112.82 -73.89 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.151 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.3 p -75.92 -29.34 58.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.45 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 8.2 mtp 69.71 44.1 0.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.851 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 24' ' ' SER . 12.2 mt-10 -115.12 124.78 52.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.929 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.52 ' O ' HG23 ' A' ' 26' ' ' THR . 74.2 p -34.71 122.52 0.53 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.816 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.743 ' CD2' HG21 ' A' ' 80' ' ' VAL . 18.8 m-85 -59.87 106.13 0.46 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.892 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.52 HG23 ' O ' ' A' ' 24' ' ' SER . 26.4 p -102.59 132.76 48.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.112 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -69.39 -17.16 63.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -69.69 -55.46 9.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -125.74 -71.31 0.7 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.949 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.465 HD21 ' NE2' ' A' ' 44' ' ' GLN . 30.8 mt -65.35 80.97 0.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.917 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.5 mmm-85 -88.49 132.38 39.19 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.654 0.74 . . . . 0.0 110.826 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.626 ' HB3' HG21 ' A' ' 80' ' ' VAL . 53.6 Cg_endo -69.78 110.0 2.45 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.676 2.251 . . . . 0.0 112.372 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.7 mmmt -108.93 134.08 52.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.875 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.773 HD11 ' O ' ' A' ' 38' ' ' GLY . 6.6 tp -100.62 123.83 45.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.932 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.76 HD21 ' CD1' ' A' ' 46' ' ' LEU . 89.9 mt -79.13 162.82 25.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.497 ' CG ' HG23 ' A' ' 66' ' ' THR . 23.0 m170 -63.1 -6.4 4.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.811 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.456 ' CB ' ' SG ' ' A' ' 62' ' ' CYS . 30.0 p -89.65 -45.79 9.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.926 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.773 ' O ' HD11 ' A' ' 34' ' ' LEU . . . 141.18 -30.18 2.26 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.467 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.486 ' O ' HD12 ' A' ' 34' ' ' LEU . 30.1 m170 -66.27 148.99 51.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.867 0.365 . . . . 0.0 110.871 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.478 ' OG1' HD13 ' A' ' 34' ' ' LEU . 40.4 m -108.06 137.41 46.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.127 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.534 HD13 HD11 ' A' ' 20' ' ' ILE . 10.9 mt -145.26 147.13 19.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.088 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.469 ' SG ' ' HB3' ' A' ' 44' ' ' GLN . 17.2 p -70.75 133.97 47.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.423 ' HG3' ' N ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -39.72 -37.22 0.5 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.837 -179.893 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.469 ' HB3' ' SG ' ' A' ' 42' ' ' CYS . 9.2 tt0 -52.79 -54.98 26.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.463 ' HB2' HG22 ' A' ' 41' ' ' ILE . 87.5 m -69.39 -38.88 78.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.882 HD23 HD22 ' A' ' 71' ' ' LEU . 5.9 tp -63.69 -32.48 73.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.883 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.537 ' OE1' HD21 ' A' ' 71' ' ' LEU . 4.6 mm-40 -69.61 -46.44 66.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.87 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -54.44 -33.45 59.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.467 ' HB3' HG13 ' A' ' 57' ' ' VAL . 79.3 mt -80.93 -50.58 9.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.88 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.551 ' HA ' HG22 ' A' ' 57' ' ' VAL . 3.3 tt -55.25 -39.51 69.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.44 -62.74 1.62 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.111 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.4 t -57.2 -38.14 73.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.6 m -59.38 -175.54 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.86 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -108.53 -51.15 7.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.165 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 50.5 m-20 -134.91 -48.14 0.74 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -104.96 160.44 15.3 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.49 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.551 HG22 ' HA ' ' A' ' 50' ' ' LEU . 91.4 t -102.03 129.31 53.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.826 0.346 . . . . 0.0 111.163 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.416 ' O ' HD13 ' A' ' 49' ' ' LEU . 24.9 ttm180 -86.57 123.19 31.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.461 ' O ' ' HA ' ' A' ' 63' ' ' SER . 12.0 t -82.69 120.25 76.14 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.614 0.721 . . . . 0.0 110.881 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 5.25 1.75 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.659 2.239 . . . . 0.0 112.355 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.415 ' CZ ' ' HB2' ' A' ' 19' ' ' PRO . 23.2 m-85 -105.39 -59.09 1.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.93 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.456 ' SG ' ' CB ' ' A' ' 37' ' ' CYS . 24.1 p -103.74 -12.4 17.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.84 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.461 ' HA ' ' O ' ' A' ' 59' ' ' CYS . 5.0 p 65.88 34.77 7.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.454 ' HD3' ' CB ' ' A' ' 37' ' ' CYS . 31.1 mtpt -97.83 120.2 37.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.885 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 38.5 mm -69.25 113.61 5.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.122 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.497 HG23 ' CG ' ' A' ' 36' ' ' HIS . 5.4 m -95.18 98.13 10.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.43 ' O ' HG23 ' A' ' 68' ' ' ILE . 0.4 OUTLIER -66.62 91.94 0.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.765 ' O ' HD12 ' A' ' 68' ' ' ILE . 1.9 pp -155.95 105.61 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 4.6 t -68.65 -34.93 76.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.154 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.691 ' HB3' HG22 ' A' ' 72' ' ' THR . 4.3 m -106.32 137.63 43.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.833 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.882 HD22 HD23 ' A' ' 46' ' ' LEU . 22.1 mt -57.56 -19.56 26.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.912 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.691 HG22 ' HB3' ' A' ' 70' ' ' SER . 9.8 t -80.97 -31.43 34.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.152 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.553 ' HB3' HG22 ' A' ' 68' ' ' ILE . 13.9 mt-30 -50.21 -64.66 0.74 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.55 HD11 ' O ' ' A' ' 71' ' ' LEU . 0.5 OUTLIER -51.93 174.88 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.402 ' O ' ' O ' ' A' ' 34' ' ' LEU . 97.0 m -73.86 138.85 44.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.171 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.19 150.45 21.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -122.17 66.51 0.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.719 ' H ' HD13 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -82.62 20.57 1.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.914 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 11.8 t -85.05 -30.52 24.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.154 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.743 HG21 ' CD2' ' A' ' 25' ' ' PHE . 11.4 m -75.59 -24.46 17.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.177 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 25.0 mt -73.45 -39.42 64.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.63 145.51 24.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 25.7 t -105.94 -53.61 2.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.846 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -148.86 173.88 28.65 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.499 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 158.65 56.18 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.656 2.237 . . . . 0.0 112.354 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 93.6 p -109.61 171.92 7.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.846 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 28.4 t -138.61 131.6 29.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 CA-C-O 119.139 -0.812 . . . . 0.0 112.484 -179.983 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.9 m -82.36 142.41 32.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.887 0.375 . . . . 0.0 110.815 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 t -153.92 164.36 38.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.851 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.19 -178.88 45.86 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.498 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.6 t 47.28 42.34 13.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.883 0.373 . . . . 0.0 110.842 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.2 m -58.02 -52.61 64.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.846 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.75 116.15 0.35 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.488 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -69.71 -60.66 2.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.871 0.367 . . . . 0.0 110.876 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.534 HD23 ' H ' ' A' ' 9' ' ' LEU . 1.8 pt? -109.67 176.34 5.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -114.29 103.29 10.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.83 -61.77 2.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -47.71 133.01 14.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.886 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.64 38.03 4.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -75.15 174.77 8.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.441 ' O ' HG23 ' A' ' 15' ' ' VAL . 23.8 m -132.01 42.0 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.121 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 67.3 mt -48.46 -22.06 0.66 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.93 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -114.45 153.72 29.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.462 ' O ' ' HA ' ' A' ' 22' ' ' MET . 53.8 t -64.24 136.1 96.61 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.585 0.707 . . . . 0.0 110.919 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -0.33 6.79 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.719 2.279 . . . . 0.0 112.309 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.458 HD12 ' CG2' ' A' ' 41' ' ' ILE . 62.4 mt -111.98 -74.65 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.095 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.414 ' SG ' ' HB3' ' A' ' 18' ' ' CYS . 6.6 p -73.93 -27.77 61.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.462 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 79.8 mmm 68.23 45.54 1.23 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.458 ' HB3' ' CD1' ' A' ' 30' ' ' LEU . 6.5 mt-10 -116.27 136.04 53.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 27.8 m -49.39 130.11 19.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.877 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.652 ' CD2' HG21 ' A' ' 80' ' ' VAL . 31.0 m-85 -70.61 107.07 3.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.916 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.5 t -114.16 145.84 41.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.121 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.661 ' HG3' HD22 ' A' ' 81' ' ' LEU . 59.1 mt-10 -85.8 43.03 1.01 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -132.7 -47.75 0.88 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.886 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 44.8 tp60 -127.1 -59.77 1.23 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.458 ' CD1' ' HB3' ' A' ' 23' ' ' GLU . 13.5 mt -91.94 99.98 12.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 53.9 mtm180 -99.73 130.08 27.37 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.621 0.724 . . . . 0.0 110.861 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.529 ' HB3' HG21 ' A' ' 80' ' ' VAL . 53.7 Cg_endo -69.75 117.71 5.25 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.734 2.289 . . . . 0.0 112.36 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.6 mmmt -116.35 132.11 56.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.641 HD11 ' O ' ' A' ' 38' ' ' GLY . 4.2 tp -94.41 132.25 39.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.487 HD21 ' CD1' ' A' ' 46' ' ' LEU . 63.4 mt -87.74 162.42 17.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.582 ' CD2' HG23 ' A' ' 66' ' ' THR . 21.8 m170 -63.76 -6.63 5.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.452 ' CB ' ' HD2' ' A' ' 64' ' ' LYS . 30.0 p -91.56 -47.28 7.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.641 ' O ' HD11 ' A' ' 34' ' ' LEU . . . 144.73 -30.95 1.8 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.474 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.424 ' O ' HD12 ' A' ' 34' ' ' LEU . 31.8 m170 -66.04 150.34 48.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.878 0.371 . . . . 0.0 110.835 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.45 ' OG1' HD13 ' A' ' 34' ' ' LEU . 89.2 m -111.68 139.52 47.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.093 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.58 HG22 ' HB2' ' A' ' 45' ' ' CYS . 13.0 mt -145.71 148.72 17.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.091 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.481 ' SG ' ' HB3' ' A' ' 44' ' ' GLN . 20.8 p -72.35 139.12 47.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.5 ppt_? -40.99 -36.87 0.72 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.481 ' HB3' ' SG ' ' A' ' 42' ' ' CYS . 7.8 tt0 -53.71 -60.97 2.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.882 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.58 ' HB2' HG22 ' A' ' 41' ' ' ILE . 60.4 m -60.28 -48.31 82.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.8 HD23 HD22 ' A' ' 71' ' ' LEU . 5.4 tp -57.52 -37.31 72.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.652 ' OE1' HD21 ' A' ' 71' ' ' LEU . 4.0 mm-40 -65.01 -52.81 54.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.7 mptt -50.56 -29.23 10.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.92 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 82.4 mt -84.75 -57.22 3.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.405 HD23 ' O ' ' A' ' 50' ' ' LEU . 2.5 tt -48.84 -40.63 30.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.92 -64.67 0.74 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 37.8 p -67.93 -57.73 5.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.7 m -51.62 -174.96 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.842 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.733 HG22 ' H ' ' A' ' 55' ' ' ASN . 0.9 OUTLIER -88.86 -172.19 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.154 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.733 ' H ' HG22 ' A' ' 54' ' ' ILE . 20.3 p30 -40.57 -23.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 54' ' ' ILE . . . -109.81 154.03 16.71 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.471 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.556 HG11 HD12 ' A' ' 46' ' ' LEU . 94.1 t -100.82 124.04 54.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.87 0.367 . . . . 0.0 111.095 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 43.6 ttp180 -81.72 115.22 20.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.435 ' O ' ' HA ' ' A' ' 63' ' ' SER . 18.1 t -71.64 120.98 83.11 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.64 0.733 . . . . 0.0 110.916 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 3.68 2.64 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.706 2.271 . . . . 0.0 112.311 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -106.66 -61.43 1.53 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 26.8 p -99.75 -24.64 14.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.435 ' HA ' ' O ' ' A' ' 59' ' ' CYS . 6.1 t 74.95 47.49 0.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.452 ' HD2' ' CB ' ' A' ' 37' ' ' CYS . 34.0 mttm -108.97 115.31 29.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 43.6 mm -62.9 118.98 5.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.125 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.582 HG23 ' CD2' ' A' ' 36' ' ' HIS . 3.4 m -94.5 85.7 4.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.125 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? -55.02 89.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.838 ' CD1' HD23 ' A' ' 74' ' ' LEU . 2.1 pt -151.63 107.72 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 8.9 t -59.35 -35.38 73.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.122 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 48.3 m -115.09 164.85 13.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.8 HD22 HD23 ' A' ' 46' ' ' LEU . 18.0 mt -75.41 -26.92 58.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.922 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 7.9 t -78.41 -22.25 48.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.17 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 19.0 mm100 -59.68 -54.55 45.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.838 HD23 ' CD1' ' A' ' 68' ' ' ILE . 1.7 pp -54.02 -175.03 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.489 HG22 ' HB3' ' A' ' 34' ' ' LEU . 82.0 m -81.29 133.12 35.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.143 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -79.98 154.44 28.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -128.43 67.78 1.37 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.636 ' H ' HD13 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -84.8 21.07 1.64 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 179.928 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 12.4 t -83.37 -32.62 26.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.19 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.652 HG21 ' CD2' ' A' ' 25' ' ' PHE . 10.2 m -77.41 -29.69 16.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.07 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.661 HD22 ' HG3' ' A' ' 27' ' ' GLU . 19.7 mt -73.26 -39.12 65.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -143.83 133.55 23.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 25.3 m -58.05 109.75 0.8 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.881 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -149.93 167.82 29.99 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.484 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -177.0 1.67 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.687 2.258 . . . . 0.0 112.365 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 19.9 m -74.23 122.72 23.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.836 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.2 t -95.6 135.84 36.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.843 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 CA-C-O 119.098 -0.834 . . . . 0.0 112.475 179.989 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.538 -0.225 . . . . 0.0 112.538 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 t -163.32 127.67 2.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.895 0.379 . . . . 0.0 110.848 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.4 p -138.01 176.94 8.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.855 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.64 178.06 27.4 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.49 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.7 t -167.14 144.93 4.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.897 0.379 . . . . 0.0 110.818 -179.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.2 p -156.62 154.32 29.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.58 -90.79 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.498 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.6 m120 62.01 46.42 6.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.892 0.377 . . . . 0.0 110.89 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.0 tp -150.04 132.21 15.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -118.24 105.42 11.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -93.24 -34.89 13.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.072 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.402 ' HA ' HD13 ' A' ' 12' ' ' LEU . 3.9 mm? -46.98 154.21 0.36 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.29 -9.61 13.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.9 mp0 -76.44 160.47 29.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 17' ' ' GLU . 33.1 m -96.76 31.61 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.122 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.3 mt -41.31 -24.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 15' ' ' VAL . 3.6 mt-10 -109.26 132.96 53.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.461 ' O ' ' HA ' ' A' ' 22' ' ' MET . 52.6 t -49.18 136.2 15.42 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.653 0.74 . . . . 0.0 110.895 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.504 ' CD ' ' O ' ' A' ' 40' ' ' THR . 53.8 Cg_endo -69.79 1.2 4.67 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.722 2.281 . . . . 0.0 112.377 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.429 HD12 ' HB3' ' A' ' 45' ' ' CYS . 26.4 mt -115.12 -74.47 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.111 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 8.8 p -74.69 -23.86 58.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.461 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 6.7 mmt 62.76 45.45 5.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.833 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.486 ' HB3' HD13 ' A' ' 30' ' ' LEU . 8.3 mt-10 -115.34 124.93 52.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.921 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 23' ' ' GLU . 7.4 t -37.31 130.35 0.92 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.838 -179.775 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.607 ' CD2' HG21 ' A' ' 80' ' ' VAL . 18.0 m-85 -69.85 101.45 1.74 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.43 ' O ' HD21 ' A' ' 81' ' ' LEU . 32.1 p -84.12 -174.36 5.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.134 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.504 ' OE2' HD13 ' A' ' 81' ' ' LEU . 67.9 mm-40 -94.78 -64.5 1.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -84.89 32.75 0.53 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.466 ' O ' ' C ' ' A' ' 30' ' ' LEU . 2.6 tp60 -177.04 163.38 2.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.486 HD13 ' HB3' ' A' ' 23' ' ' GLU . 27.2 mt 32.84 42.33 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 48.0 mtm180 -54.11 128.17 56.56 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.569 0.7 . . . . 0.0 110.887 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.6 ' HB3' HG21 ' A' ' 80' ' ' VAL . 53.2 Cg_endo -69.78 117.74 5.26 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.672 2.248 . . . . 0.0 112.315 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.4 mmmt -117.25 137.28 52.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.887 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.795 HD22 ' OD1' ' A' ' 77' ' ' ASN . 5.4 tp -103.25 125.35 49.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.7 HD21 ' CD1' ' A' ' 46' ' ' LEU . 94.8 mt -82.8 162.58 21.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.953 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.506 ' CD2' HG23 ' A' ' 66' ' ' THR . 23.8 m170 -60.34 -9.32 3.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.822 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 28.2 p -88.21 -46.6 9.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.721 ' O ' HD11 ' A' ' 34' ' ' LEU . . . 140.21 -28.66 2.46 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.504 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.471 ' O ' HD12 ' A' ' 34' ' ' LEU . 23.2 m170 -62.99 148.32 48.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.869 0.366 . . . . 0.0 110.896 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.504 ' O ' ' CD ' ' A' ' 19' ' ' PRO . 62.5 m -111.48 126.94 55.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.167 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.528 ' CG2' ' HB2' ' A' ' 45' ' ' CYS . 60.3 mt -135.45 150.03 28.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.117 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.446 ' SG ' ' HB3' ' A' ' 44' ' ' GLN . 19.5 p -73.88 135.56 43.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.406 ' HG3' ' N ' ' A' ' 44' ' ' GLN . 0.1 OUTLIER -38.24 -37.51 0.29 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.82 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.446 ' HB3' ' SG ' ' A' ' 42' ' ' CYS . 6.2 tt0 -53.87 -61.01 2.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.528 ' HB2' ' CG2' ' A' ' 41' ' ' ILE . 56.3 m -59.84 -44.98 93.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.7 ' CD1' HD21 ' A' ' 35' ' ' LEU . 5.7 tp -59.51 -35.84 74.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.635 ' OE1' HD21 ' A' ' 71' ' ' LEU . 4.6 mm-40 -63.35 -51.33 66.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.407 ' HD3' ' O ' ' A' ' 44' ' ' GLN . 6.8 mptt -49.75 -34.93 20.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.899 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 96.3 mt -80.81 -53.26 6.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 51' ' ' ALA . 1.4 tt -51.31 -46.95 62.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 50' ' ' LEU . . . -37.84 -65.39 0.33 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.079 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 33.6 m -67.52 -43.49 80.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.862 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 60.4 m -61.12 151.69 30.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.818 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.419 HG23 ' N ' ' A' ' 55' ' ' ASN . 7.2 tt -132.46 -40.79 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.153 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.419 ' N ' HG23 ' A' ' 54' ' ' ILE . 5.7 m120 -100.19 47.7 0.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.465 ' HA3' ' CG2' ' A' ' 65' ' ' ILE . . . 106.47 154.33 20.49 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.487 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 48.5 t -91.32 116.27 32.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.88 0.371 . . . . 0.0 111.124 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 68.9 ttt180 -77.34 113.77 15.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.444 ' O ' ' HA ' ' A' ' 63' ' ' SER . 42.4 t -67.24 123.53 86.68 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.702 0.763 . . . . 0.0 110.862 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 4.36 2.25 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.669 2.246 . . . . 0.0 112.356 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.488 ' CZ ' ' HB2' ' A' ' 19' ' ' PRO . 33.5 m-85 -107.17 -54.89 2.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.853 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 26.4 p -111.6 -16.33 13.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.88 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.444 ' HA ' ' O ' ' A' ' 59' ' ' CYS . 74.3 m 62.25 47.83 5.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 65' ' ' ILE . 89.5 mttt -109.42 91.16 3.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.465 ' CG2' ' HA3' ' A' ' 56' ' ' GLY . 46.0 mm -33.67 125.49 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.129 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.618 ' OG1' HD22 ' A' ' 35' ' ' LEU . 14.8 m -79.2 -29.53 42.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.143 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.428 ' HB3' ' NH1' ' A' ' 67' ' ' ARG . 3.5 mmm180 64.01 48.94 2.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.974 ' CD1' HD23 ' A' ' 74' ' ' LEU . 2.5 pt -128.39 132.36 68.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.122 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.7 t -85.35 -29.97 24.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.18 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 18.2 m -116.53 153.4 32.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.826 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.635 HD21 ' OE1' ' A' ' 47' ' ' GLU . 56.2 mt -63.56 -28.23 69.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.901 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 8.9 t -80.85 -30.77 35.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.155 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 -47.09 -56.25 6.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.974 HD23 ' CD1' ' A' ' 68' ' ' ILE . 2.8 pp -53.06 -174.26 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 90.8 m -84.22 137.02 33.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.16 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -84.71 152.42 23.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.795 ' OD1' HD22 ' A' ' 34' ' ' LEU . 10.0 t30 -129.75 62.27 1.55 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.692 ' H ' HD13 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -75.91 5.82 5.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.3 t -66.87 -40.49 87.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.153 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.607 HG21 ' CD2' ' A' ' 25' ' ' PHE . 19.8 m -67.13 -30.38 49.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.142 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.504 HD13 ' OE2' ' A' ' 27' ' ' GLU . 96.9 mt -73.02 -34.59 66.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.932 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 81' ' ' LEU . 0.0 OUTLIER 36.28 54.59 1.03 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 179.816 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 63.5 m 54.3 44.61 28.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 81' ' ' LEU . . . 87.46 -174.54 45.1 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.511 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.434 ' O ' ' C ' ' A' ' 86' ' ' SER . 53.7 Cg_endo -69.75 86.58 0.57 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.694 2.263 . . . . 0.0 112.359 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 85' ' ' PRO . 23.5 m 34.84 41.97 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 -179.775 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.8 m -85.22 114.29 22.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.801 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 CA-C-O 119.11 -0.828 . . . . 0.0 112.513 179.955 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.8 p -164.53 147.26 8.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.846 0.355 . . . . 0.0 110.86 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.3 t -93.6 -61.03 1.63 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.88 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.9 170.71 20.2 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.448 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.1 t -157.93 136.48 11.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.879 0.371 . . . . 0.0 110.844 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 m -51.98 149.9 4.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.25 52.19 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.508 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -161.76 145.7 12.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.878 0.371 . . . . 0.0 110.866 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.4 tp -174.19 155.92 2.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -148.63 125.73 11.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.844 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -98.86 -54.38 3.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.118 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -52.78 149.09 6.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -105.47 44.28 1.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.888 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -128.64 169.49 14.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 33.5 m -97.82 41.32 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.084 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 18.8 mt -53.13 -16.61 1.22 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -115.02 159.45 20.77 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.587 ' SG ' HG23 ' A' ' 41' ' ' ILE . 51.0 t -70.41 135.94 86.41 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.591 0.71 . . . . 0.0 110.894 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.493 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 53.8 Cg_endo -69.7 -0.05 6.31 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.7 2.267 . . . . 0.0 112.345 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.437 HD12 ' HB3' ' A' ' 45' ' ' CYS . 27.3 mt -111.61 -72.55 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.133 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.8 p -77.87 -29.52 50.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.893 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.455 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 10.2 mtp 71.65 49.89 0.27 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.441 ' OE1' HD11 ' A' ' 30' ' ' LEU . 13.7 mt-10 -119.08 140.91 49.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.855 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.6 p -51.32 132.29 28.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.893 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.56 ' CD2' HG21 ' A' ' 80' ' ' VAL . 21.6 m-85 -74.02 103.22 4.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.893 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.404 ' O ' ' O ' ' A' ' 30' ' ' LEU . 1.3 t -124.69 138.26 54.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.15 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 64.0 mt-10 -79.74 45.59 0.71 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -134.27 -38.48 0.85 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 -133.41 -37.95 0.94 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.917 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.441 HD11 ' OE1' ' A' ' 23' ' ' GLU . 1.8 mt -130.27 105.28 7.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 22.6 mtm180 -95.8 131.34 29.42 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.608 0.718 . . . . 0.0 110.875 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.516 ' HB3' HG21 ' A' ' 80' ' ' VAL . 53.6 Cg_endo -69.76 122.57 9.25 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.713 2.275 . . . . 0.0 112.336 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.483 ' HB3' HD11 ' A' ' 74' ' ' LEU . 3.5 mmmm -122.31 135.26 54.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.894 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.647 HD11 ' O ' ' A' ' 38' ' ' GLY . 6.3 tp -99.74 130.54 45.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.68 HD21 ' CD1' ' A' ' 46' ' ' LEU . 77.1 mt -87.63 162.25 17.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.592 ' CE1' ' O ' ' A' ' 66' ' ' THR . 22.1 m170 -60.37 -9.67 3.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.412 ' SG ' ' HB2' ' A' ' 35' ' ' LEU . 28.5 p -88.81 -46.92 8.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.647 ' O ' HD11 ' A' ' 34' ' ' LEU . . . 141.46 -29.55 2.26 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.437 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 25.4 m170 -63.28 139.71 58.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.929 0.395 . . . . 0.0 110.841 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.534 HG21 ' CG ' ' A' ' 77' ' ' ASN . 15.6 m -106.09 118.17 35.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.154 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.587 HG23 ' SG ' ' A' ' 18' ' ' CYS . 18.9 mt -127.41 152.21 35.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.097 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.459 ' SG ' ' HB3' ' A' ' 44' ' ' GLN . 17.5 p -71.87 140.22 49.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.858 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.563 ' HG3' ' N ' ' A' ' 44' ' ' GLN . 4.8 ptt180 -44.3 -37.53 3.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.563 ' N ' ' HG3' ' A' ' 43' ' ' ARG . 7.5 tt0 -52.08 -55.25 21.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.494 ' HB2' HG22 ' A' ' 41' ' ' ILE . 54.4 m -65.75 -38.03 87.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.68 ' CD1' HD21 ' A' ' 35' ' ' LEU . 5.3 tp -62.22 -40.85 97.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -62.01 -50.99 69.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -48.0 -34.9 10.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 56.8 mt -82.0 -57.56 3.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.46 HD23 ' O ' ' A' ' 50' ' ' LEU . 2.0 tt -47.93 -27.9 2.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -77.7 -33.34 53.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.1 t -116.24 34.87 4.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.6 m -137.53 -175.48 4.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.857 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.665 HG22 ' H ' ' A' ' 55' ' ' ASN . 0.5 OUTLIER -77.69 -173.46 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.16 179.932 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.665 ' H ' HG22 ' A' ' 54' ' ' ILE . 0.5 OUTLIER -45.25 -18.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.439 ' N ' ' C ' ' A' ' 54' ' ' ILE . . . -112.67 -147.32 10.15 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.464 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 59.4 t -143.49 108.6 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.831 0.348 . . . . 0.0 111.177 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 59.1 ttp85 -70.85 110.41 5.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.928 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.459 ' O ' ' HA ' ' A' ' 63' ' ' SER . 47.0 t -64.85 125.34 88.78 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.657 0.741 . . . . 0.0 110.849 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 3.99 2.44 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.672 2.248 . . . . 0.0 112.367 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.493 ' CZ ' ' HB2' ' A' ' 19' ' ' PRO . 36.3 m-85 -109.35 -57.64 2.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 26.5 p -107.57 -15.63 14.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.459 ' HA ' ' O ' ' A' ' 59' ' ' CYS . 16.8 m 59.41 51.27 6.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.826 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.456 ' O ' ' C ' ' A' ' 65' ' ' ILE . 88.3 mttt -114.48 93.03 4.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.456 ' C ' ' O ' ' A' ' 64' ' ' LYS . 46.5 mm -31.73 123.66 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.111 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.592 ' O ' ' CE1' ' A' ' 36' ' ' HIS . 3.0 m -72.27 -29.86 64.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.135 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 6.8 mmm180 63.81 55.01 1.7 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.839 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 1.037 ' CD1' HD23 ' A' ' 74' ' ' LEU . 1.6 pt -137.25 121.63 23.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.142 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.1 p -67.45 -36.79 81.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.137 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.545 ' O ' HD12 ' A' ' 68' ' ' ILE . 1.2 t -111.25 167.34 10.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.429 HD22 HD23 ' A' ' 46' ' ' LEU . 13.5 mt -75.33 -25.17 57.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.929 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 8.8 t -85.18 -30.76 23.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.065 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -43.81 -52.54 6.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.933 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 1.037 HD23 ' CD1' ' A' ' 68' ' ' ILE . 3.3 pp -53.56 -174.86 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.984 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 93.0 m -83.35 136.48 34.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.153 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -80.44 145.94 31.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.887 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.534 ' CG ' HG21 ' A' ' 40' ' ' THR . 25.0 t-20 -117.14 67.73 0.74 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.704 ' H ' HD13 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -81.35 12.76 3.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.937 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.8 t -75.85 -33.59 60.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.122 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.56 HG21 ' CD2' ' A' ' 25' ' ' PHE . 16.8 m -76.22 -29.74 19.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.121 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 22.6 mt -74.32 -38.9 63.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? -78.33 164.33 24.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.8 t -82.64 120.39 25.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.792 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -53.07 137.24 37.33 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.449 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 146.36 59.95 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.633 2.222 . . . . 0.0 112.347 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 65.4 p -96.7 77.98 2.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.901 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.4 m -44.91 -60.46 2.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.868 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 CA-C-O 119.164 -0.798 . . . . 0.0 112.493 -179.985 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.1 p -146.03 129.19 16.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.854 0.359 . . . . 0.0 110.837 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.3 m -144.95 114.56 7.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.842 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.85 149.75 8.66 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.457 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.1 p -149.09 177.68 9.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.867 0.365 . . . . 0.0 110.877 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 t -39.9 -51.29 2.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.872 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.89 121.05 4.13 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.48 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -66.07 113.6 4.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.842 0.353 . . . . 0.0 110.901 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.9 tp -130.82 144.9 51.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.94 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -162.33 112.06 1.48 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 179.811 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -129.02 15.97 6.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.138 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -65.05 156.47 31.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.56 -25.5 12.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.524 ' OE1' HD23 ' A' ' 16' ' ' LEU . 3.5 tm-20 -65.92 164.96 14.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.402 HG22 ' OE2' ' A' ' 14' ' ' GLU . 33.8 m -100.49 44.12 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.168 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.524 HD23 ' OE1' ' A' ' 14' ' ' GLU . 26.5 mt -52.71 -26.06 12.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.908 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.422 ' HG3' ' N ' ' A' ' 24' ' ' SER . 1.9 mp0 -105.21 175.27 5.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.922 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.462 ' O ' ' HA ' ' A' ' 22' ' ' MET . 45.5 t -75.77 136.86 70.24 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.684 0.754 . . . . 0.0 110.852 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.405 ' CD ' ' O ' ' A' ' 40' ' ' THR . 53.8 Cg_endo -69.76 1.79 4.12 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.666 2.244 . . . . 0.0 112.312 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.579 HD11 HD13 ' A' ' 41' ' ' ILE . 52.8 mt -116.02 -67.51 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.157 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.406 ' O ' ' HB2' ' A' ' 22' ' ' MET . 11.3 p -85.32 -24.72 27.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.462 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 7.9 mmt 65.97 52.0 1.27 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.712 ' HB3' HD13 ' A' ' 30' ' ' LEU . 35.0 mm-40 -115.5 136.76 52.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.866 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.422 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 29.3 p -47.04 123.86 5.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.822 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.573 ' CD2' HG21 ' A' ' 80' ' ' VAL . 15.8 m-85 -68.69 103.09 1.64 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.904 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.5 t -124.28 139.3 54.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.147 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -80.27 43.92 0.66 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -131.13 -41.33 1.12 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -134.76 -34.0 0.92 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.712 HD13 ' HB3' ' A' ' 23' ' ' GLU . 1.4 mt -128.4 98.63 5.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.909 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 19.5 mtm180 -94.6 128.77 38.66 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.605 0.717 . . . . 0.0 110.833 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.501 ' HB3' ' CG ' ' A' ' 25' ' ' PHE . 53.9 Cg_endo -69.77 114.68 3.78 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.643 2.228 . . . . 0.0 112.362 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.55 ' HB3' HD11 ' A' ' 74' ' ' LEU . 2.5 mmmm -114.53 132.31 56.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.679 HD11 ' O ' ' A' ' 38' ' ' GLY . 6.3 tp -94.87 133.94 38.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.721 HD21 ' CD1' ' A' ' 46' ' ' LEU . 84.3 mt -90.49 162.29 15.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.883 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.669 ' CD2' HG23 ' A' ' 66' ' ' THR . 16.2 m170 -62.11 -7.63 4.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 28.8 p -89.48 -46.92 8.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.863 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.679 ' O ' HD11 ' A' ' 34' ' ' LEU . . . 141.93 -28.95 2.24 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.533 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.447 ' O ' HD12 ' A' ' 34' ' ' LEU . 29.6 m170 -65.94 146.41 54.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.896 0.379 . . . . 0.0 110.817 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.569 HG21 ' CG ' ' A' ' 77' ' ' ASN . 23.2 m -112.29 118.07 34.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.163 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.579 HD13 HD11 ' A' ' 20' ' ' ILE . 55.8 mt -125.57 151.24 31.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.167 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.503 ' SG ' ' HB3' ' A' ' 44' ' ' GLN . 17.8 p -71.86 143.66 49.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.91 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.439 ' HD2' ' C ' ' A' ' 43' ' ' ARG . 0.4 OUTLIER -45.03 -39.18 5.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.503 ' HB3' ' SG ' ' A' ' 42' ' ' CYS . 2.3 tt0 -51.47 -62.17 1.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.497 ' HB2' ' CG2' ' A' ' 41' ' ' ILE . 56.9 m -59.13 -44.17 92.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.721 ' CD1' HD21 ' A' ' 35' ' ' LEU . 4.6 tp -59.71 -35.33 74.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.684 ' OE1' HD21 ' A' ' 71' ' ' LEU . 4.1 mm-40 -63.55 -52.05 62.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.4 mptt -50.27 -33.97 21.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 96.1 mt -81.4 -54.77 5.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.896 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.534 HD13 HD23 ' A' ' 71' ' ' LEU . 1.3 tt -50.71 -47.4 59.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.922 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.97 -67.83 0.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.114 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.9 t -48.47 -46.46 38.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.6 t -63.14 173.67 1.39 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.893 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 10.8 mm -78.98 -70.57 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.131 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 13.7 p30 -130.95 -31.35 1.72 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.882 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -94.18 171.62 31.28 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.468 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.443 HG22 ' HA ' ' A' ' 50' ' ' LEU . 84.8 t -123.65 104.08 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.844 0.354 . . . . 0.0 111.153 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 21.0 ttp-105 -71.08 113.58 8.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.852 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.473 ' O ' ' HA ' ' A' ' 63' ' ' SER . 21.8 t -68.32 124.93 90.97 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.676 0.751 . . . . 0.0 110.893 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 5.19 1.8 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.648 2.232 . . . . 0.0 112.358 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -109.69 -58.29 2.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.849 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 19.5 p -103.61 -12.96 16.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.473 ' HA ' ' O ' ' A' ' 59' ' ' CYS . 3.6 m 58.74 44.38 17.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.795 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 51.0 mttp -114.14 107.86 16.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.881 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.403 HG22 ' H ' ' A' ' 67' ' ' ARG . 31.6 mm -49.83 133.66 8.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.153 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.669 HG23 ' CD2' ' A' ' 36' ' ' HIS . 10.4 m -83.28 -28.03 29.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.122 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.403 ' H ' HG22 ' A' ' 65' ' ' ILE . 0.5 OUTLIER 63.17 53.71 2.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.861 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 1.011 ' CD1' HD23 ' A' ' 74' ' ' LEU . 1.0 OUTLIER -130.94 128.94 63.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.155 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 8.9 t -79.54 -29.87 41.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.111 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.9 t -114.24 155.34 26.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.863 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.684 HD21 ' OE1' ' A' ' 47' ' ' GLU . 45.8 mt -68.4 -31.39 70.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.9 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 8.6 t -81.24 -24.77 37.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.152 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.421 ' HB3' HG22 ' A' ' 68' ' ' ILE . 6.3 mm100 -49.42 -55.09 14.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.937 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 1.011 HD23 ' CD1' ' A' ' 68' ' ' ILE . 2.5 pp -52.58 -174.85 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.419 ' O ' ' N ' ' A' ' 34' ' ' LEU . 89.1 m -80.76 142.37 33.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.17 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -89.46 149.86 22.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.569 ' CG ' HG21 ' A' ' 40' ' ' THR . 27.1 t-20 -121.81 66.37 0.91 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.885 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.634 ' H ' HD13 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -80.41 14.23 2.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.953 179.936 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 13.9 t -76.46 -34.89 58.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.148 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.573 HG21 ' CD2' ' A' ' 25' ' ' PHE . 12.1 m -72.68 -36.31 52.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.149 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 14.3 mt -66.07 -40.75 91.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -87.21 117.07 25.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 40.5 t -151.76 141.01 21.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.851 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 174.49 115.28 0.39 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.486 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -39.48 6.45 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.701 2.267 . . . . 0.0 112.337 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 37.8 m -74.67 -58.87 3.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.871 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 38.5 p -77.51 171.37 15.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.816 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 CA-C-O 119.162 -0.799 . . . . 0.0 112.47 179.991 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.0 p -125.26 176.14 6.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.864 0.364 . . . . 0.0 110.826 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 81.7 p -158.65 141.71 14.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.84 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 127.15 142.49 5.59 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.451 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 m -123.01 167.48 13.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.908 0.385 . . . . 0.0 110.847 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.6 t -165.03 157.95 16.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.875 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.32 173.65 16.88 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.509 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 46.8 p30 -139.06 178.13 7.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.892 0.377 . . . . 0.0 110.873 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 13.2 tp -100.55 146.34 27.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -141.92 119.05 11.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -117.03 -43.47 2.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.091 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.8 mt -47.82 171.26 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.919 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.1 ptt85 -94.15 -46.15 7.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.0 mp0 -46.68 164.91 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.445 ' O ' ' N ' ' A' ' 17' ' ' GLU . 35.0 m -99.88 34.7 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.468 ' O ' ' CD2' ' A' ' 25' ' ' PHE . 24.3 mt -41.06 -24.86 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 15' ' ' VAL . 3.3 mt-10 -103.01 166.6 10.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.498 ' SG ' HG23 ' A' ' 41' ' ' ILE . 52.3 t -80.4 136.19 52.97 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.619 0.723 . . . . 0.0 110.891 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.527 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 53.9 Cg_endo -69.76 0.66 5.32 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.683 2.256 . . . . 0.0 112.361 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.463 HD11 HD13 ' A' ' 41' ' ' ILE . 49.0 mt -114.44 -73.33 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.172 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 18.4 p -77.72 -25.61 49.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.874 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.46 ' HA ' ' O ' ' A' ' 18' ' ' CYS . 20.3 mmt 64.66 45.05 3.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.499 ' HB3' ' CD1' ' A' ' 30' ' ' LEU . 27.8 mt-10 -117.32 122.5 44.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.839 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 23' ' ' GLU . 8.3 t -33.44 129.45 0.28 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 -179.803 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.586 ' CD2' HG21 ' A' ' 80' ' ' VAL . 23.8 m-85 -68.14 100.25 0.99 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.869 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 43.1 p -97.73 138.57 34.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.112 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -82.95 38.51 0.59 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -134.47 -48.51 0.77 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.868 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 62.1 tp60 -126.05 -48.84 1.6 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.499 ' CD1' ' HB3' ' A' ' 23' ' ' GLU . 27.7 mt -96.73 73.41 2.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.911 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 84.6 mtm-85 -76.34 127.2 85.27 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.599 0.714 . . . . 0.0 110.877 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.651 ' HB3' HG21 ' A' ' 80' ' ' VAL . 53.5 Cg_endo -69.78 119.99 6.85 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.714 2.276 . . . . 0.0 112.301 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.514 ' HE3' HD11 ' A' ' 74' ' ' LEU . 15.3 mmmt -117.82 143.64 46.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.889 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.725 HD13 ' OD1' ' A' ' 77' ' ' ASN . 8.4 tp -111.2 122.45 47.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.437 HD21 ' CD1' ' A' ' 46' ' ' LEU . 95.4 mt -77.02 162.31 27.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.549 ' CD2' HG23 ' A' ' 66' ' ' THR . 21.3 m170 -62.38 -6.66 3.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.837 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.474 ' CB ' ' HD3' ' A' ' 64' ' ' LYS . 28.8 p -89.41 -47.71 7.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.697 ' O ' HD11 ' A' ' 34' ' ' LEU . . . 143.28 -29.26 2.05 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.514 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.487 ' O ' HD12 ' A' ' 34' ' ' LEU . 27.9 m170 -64.66 146.75 54.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.838 0.351 . . . . 0.0 110.843 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.547 ' OG1' HD13 ' A' ' 34' ' ' LEU . 99.1 m -108.98 131.72 54.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.142 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.498 HG23 ' SG ' ' A' ' 18' ' ' CYS . 52.2 mt -140.57 150.11 21.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.16 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.485 ' SG ' ' HB3' ' A' ' 44' ' ' GLN . 20.4 p -72.19 142.2 49.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.935 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.7 -33.0 3.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.485 ' HB3' ' SG ' ' A' ' 42' ' ' CYS . 1.1 tt0 -56.42 -56.99 14.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.486 ' HB2' ' CG2' ' A' ' 41' ' ' ILE . 56.4 m -63.5 -43.55 96.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.565 HD23 HD22 ' A' ' 71' ' ' LEU . 5.8 tp -59.34 -45.07 92.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.949 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.506 ' OE2' HD11 ' A' ' 71' ' ' LEU . 4.0 mm-40 -54.52 -46.33 73.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -55.1 -34.03 63.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.878 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.598 ' HB3' HG13 ' A' ' 57' ' ' VAL . 94.3 mt -81.27 -53.37 6.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.916 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.464 ' O ' ' C ' ' A' ' 51' ' ' ALA . 1.8 tt -53.7 -45.41 70.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.464 ' C ' ' O ' ' A' ' 50' ' ' LEU . . . -32.89 -68.03 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.095 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 24.5 m -68.76 -47.23 66.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.7 m -55.16 144.26 24.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.864 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 10.8 tt -127.69 -28.02 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.095 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -111.79 38.42 2.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 113.29 154.2 11.45 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.502 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.598 HG13 ' HB3' ' A' ' 49' ' ' LEU . 57.5 t -92.63 135.15 28.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.819 0.343 . . . . 0.0 111.161 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 27.3 ttp180 -91.99 114.56 27.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.458 ' O ' ' HA ' ' A' ' 63' ' ' SER . 35.7 t -64.97 126.18 90.65 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.615 0.721 . . . . 0.0 110.859 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 3.24 2.91 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.689 2.26 . . . . 0.0 112.316 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.527 ' CZ ' ' HB2' ' A' ' 19' ' ' PRO . 30.2 m-85 -110.83 -64.36 1.28 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 27.3 p -97.57 -22.39 16.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.458 ' HA ' ' O ' ' A' ' 59' ' ' CYS . 16.4 m 68.26 46.2 1.14 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.474 ' HD3' ' CB ' ' A' ' 37' ' ' CYS . 25.0 mtpp -103.59 91.31 3.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.87 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.429 ' C ' ' O ' ' A' ' 64' ' ' LYS . 44.8 mm -35.68 125.9 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.136 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.549 HG23 ' CD2' ' A' ' 36' ' ' HIS . 4.7 m -103.73 84.31 2.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.155 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 3.5 mpp_? -51.64 86.34 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.774 HD13 HD23 ' A' ' 74' ' ' LEU . 1.6 pt -145.31 108.36 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.134 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 6.7 t -64.37 -35.18 80.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.17 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 25.4 m -111.96 161.23 16.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.857 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.565 HD22 HD23 ' A' ' 46' ' ' LEU . 65.9 mt -70.25 -26.05 63.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.95 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 8.9 t -84.24 -24.96 29.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.191 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -49.71 -51.84 35.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.774 HD23 HD13 ' A' ' 68' ' ' ILE . 2.3 pp -52.65 -173.41 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 93.3 m -86.24 121.43 28.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.193 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -64.34 142.76 58.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.871 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.725 ' OD1' HD13 ' A' ' 34' ' ' LEU . 3.4 t30 -121.6 68.75 0.91 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.753 ' H ' HD13 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -82.58 -8.99 59.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.925 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.563 ' N ' HD22 ' A' ' 78' ' ' LEU . 8.7 t -49.9 -42.93 49.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.123 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.651 HG21 ' HB3' ' A' ' 32' ' ' PRO . 31.5 m -67.34 -33.12 60.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.117 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 89.1 mt -70.37 -38.64 74.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 42.2 mmtt -53.63 153.99 4.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.912 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 42.8 t -123.2 86.59 2.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.855 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 118.93 143.92 7.28 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.435 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -47.37 0.94 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.678 2.252 . . . . 0.0 112.324 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 22.9 t -117.4 99.39 6.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.5 m -98.66 130.48 45.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.861 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 CA-C-O 119.139 -0.812 . . . . 0.0 112.507 -179.988 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_